2xni - Revision history

OCA at 13:58, 1 February 2024

OCA — Thu, 01 Feb 2024 13:58:47 GMT

←Older revision		Revision as of 13:58, 1 February 2024
Line 3:		Line 3:
	<StructureSection load='2xni' size='340' side='right'caption='[[2xni]], [[Resolution\|resolution]] 3.30Å' scene=''>		<StructureSection load='2xni' size='340' side='right'caption='[[2xni]], [[Resolution\|resolution]] 3.30Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[2xni]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/~~9hepc 9hepc~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2XNI OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2XNI FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[2xni]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Hepacivirus_C Hepacivirus C]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2XNI OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2XNI FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=TR8:(1-{[(10-tert-butyl-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19,23,23a-tetradecahydro-1H,5H-2,23 5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosin-7(3H)-yl)carbonyl]amino}-3-hydroxypropyl)(trihydroxy)borate(1-)'>TR8</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene~~></td></tr>~~	+	</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models\|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution\|Resolution]] 3.3Å</td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[2xcf\|2xcf]], [[2xcn\|2xcn]]</div~~></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=TR8:(1-{[(10-tert-butyl-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19,23,23a-tetradecahydro-1H,5H-2,23 5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosin-7(3H)-yl)carbonyl]amino}-3-hydroxypropyl)(trihydroxy)borate(1-)'>TR8</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=2xni FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2xni OCA], [https://pdbe.org/2xni PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2xni RCSB], [https://www.ebi.ac.uk/pdbsum/2xni PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2xni ProSAT]</span></td></tr>		<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=2xni FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2xni OCA], [https://pdbe.org/2xni PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2xni RCSB], [https://www.ebi.ac.uk/pdbsum/2xni PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2xni ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/POLG_HCV77 POLG_HCV77] Packages viral RNA to form a viral nucleocapsid, and promotes virion budding (Probable). Participates in the viral particle production as a result of its interaction with the non-structural protein 5A (By similarity). Binds RNA and may function as a RNA chaperone to induce the RNA structural rearrangements taking place during virus replication (PubMed:18033802). Modulates viral translation initiation by interacting with viral IRES and 40S ribosomal subunit (By similarity). Affects various cell signaling pathways, host immunity and lipid metabolism (Probable). Prevents the establishment of cellular antiviral state by blocking the interferon-alpha/beta (IFN-alpha/beta) and IFN-gamma signaling pathways and by blocking the formation of phosphorylated STAT1 and promoting ubiquitin-mediated proteasome-dependent degradation of STAT1 (PubMed:23799612) (By similarity). Activates STAT3 leading to cellular transformation (By similarity). Regulates the activity of cellular genes, including c-myc and c-fos (By similarity). May repress the promoter of p53, and sequester CREB3 and SP110 isoform 3/Sp110b in the cytoplasm (By similarity). Represses cell cycle negative regulating factor CDKN1A, thereby interrupting an important check point of normal cell cycle regulation (By similarity). Targets transcription factors involved in the regulation of inflammatory responses and in the immune response: suppresses NF-kappa-B activation, and activates AP-1 (By similarity). Binds to dendritic cells (DCs) via C1QR1, resulting in down-regulation of T-lymphocytes proliferation (PubMed:11086025, PubMed:17881511). Alters lipid metabolism by interacting with hepatocellular proteins involved in lipid accumulation and storage (PubMed:14602201). Induces up-regulation of FAS promoter activity, and thereby contributes to the increased triglyceride accumulation in hepatocytes (steatosis) (PubMed:14602201).[UniProtKB:P26662][UniProtKB:P26664][UniProtKB:P29846][UniProtKB:Q99IB8]<ref>PMID:11086025</ref> <ref>PMID:14602201</ref> <ref>PMID:17881511</ref> <ref>PMID:18033802</ref> <ref>PMID:23799612</ref> Forms a heterodimer with envelope glycoprotein E2, which mediates virus attachment to the host cell, virion internalization through clathrin-dependent endocytosis and fusion with host membrane (PubMed:14990718, PubMed:16894197). Fusion with the host cell is most likely mediated by both E1 and E2, through conformational rearrangements of the heterodimer required for fusion rather than a classical class II fusion mechanism (PubMed:16533059, PubMed:29505618, PubMed:24698129). E1/E2 heterodimer binds host apolipoproteins such as APOB and APOE thereby forming a lipo-viro-particle (LVP) (PubMed:25122793, PubMed:29695434, PubMed:24838241). APOE associated to the LVP allows the initial virus attachment to cell surface receptors such as the heparan sulfate proteoglycans (HSPGs), syndecan-1 (SDC1), syndecan-1 (SDC2), the low-density lipoprotein receptor (LDLR) and scavenger receptor class B type I (SCARB1) (PubMed:12970454, PubMed:12356718, PubMed:12913001, PubMed:28404852, PubMed:22767607). The cholesterol transfer activity of SCARB1 allows E2 exposure and binding of E2 to SCARB1 and the tetraspanin CD81 (PubMed:22767607, PubMed:12913001). E1/E2 heterodimer binding on CD81 activates the epithelial growth factor receptor (EGFR) signaling pathway (PubMed:22855500). Diffusion of the complex E1/E2-EGFR-SCARB1-CD81 to the cell lateral membrane allows further interaction with Claudin 1 (CLDN1) and occludin (OCLN) to finally trigger HCV entry (PubMed:12970454, PubMed:24038151, PubMed:12913001, PubMed:20375010, PubMed:19182773) (By similarity).[UniProtKB:Q99IB8]<ref>PMID:12356718</ref> <ref>PMID:12913001</ref> <ref>PMID:12970454</ref> <ref>PMID:14990718</ref> <ref>PMID:16533059</ref> <ref>PMID:16894197</ref> <ref>PMID:19182773</ref> <ref>PMID:20375010</ref> <ref>PMID:22767607</ref> <ref>PMID:22855500</ref> <ref>PMID:24038151</ref> <ref>PMID:24698129</ref> <ref>PMID:24838241</ref> <ref>PMID:25122793</ref> <ref>PMID:28404852</ref> <ref>PMID:29505618</ref> <ref>PMID:29695434</ref> Forms a heterodimer with envelope glycoprotein E1, which mediates virus attachment to the host cell, virion internalization through clathrin-dependent endocytosis and fusion with host membrane (PubMed:14990718, PubMed:16894197). Fusion with the host cell is most likely mediated by both E1 and E2, through conformational rearrangements of the heterodimer required for fusion rather than a classical class II fusion mechanism (PubMed:16533059, PubMed:29505618, PubMed:24698129). The interaction between E2 and host apolipoprotein E/APOE allows the proper assembly, maturation and infectivity of the viral particles (PubMed:25122793, PubMed:29695434). This interaction is probably promoted via the up-regulation of cellular autophagy by the virus (PubMed:29695434). E1/E2 heterodimer binds host apolipoproteins such as APOB and APOE thereby forming a lipo-viro-particle (LVP) (PubMed:25122793, PubMed:29695434, PubMed:24838241). APOE associated to the LVP allows the initial virus attachment to cell surface receptors such as the heparan sulfate proteoglycans (HSPGs), syndecan-1 (SDC1), syndecan-1 (SDC2), the low-density lipoprotein receptor (LDLR) and scavenger receptor class B type I (SCARB1) (PubMed:12970454, PubMed:12356718, PubMed:12913001, PubMed:28404852, PubMed:22767607). The cholesterol transfer activity of SCARB1 allows E2 exposure and binding of E2 to SCARB1 and the tetraspanin CD81 (PubMed:22767607, PubMed:12913001). E1/E2 heterodimer binding on CD81 activates the epithelial growth factor receptor (EGFR) signaling pathway (PubMed:20375010, PubMed:12970454, PubMed:24038151, PubMed:12913001, PubMed:19182773, PubMed:22855500) (By similarity). Diffusion of the complex E1/E2-EGFR-SCARB1-CD81 to the cell lateral membrane allows further interaction with Claudin 1 (CLDN1) and occludin (OCLN) to finally trigger HCV entry (PubMed:20375010, PubMed:12970454, PubMed:24038151, PubMed:12913001, PubMed:19182773) (By similarity). Inhibits host EIF2AK2/PKR activation, preventing the establishment of an antiviral state (By similarity). Viral ligand for CD209/DC-SIGN and CLEC4M/DC-SIGNR, which are respectively found on DCs, and on liver sinusoidal endothelial cells and macrophage-like cells of lymph node sinuses (PubMed:15371595). These interactions allow the capture of circulating HCV particles by these cells and subsequent facilitated transmission to permissive cells such as hepatocytes and lymphocyte subpopulations (PubMed:15371595). The interaction between E2 and host amino acid transporter complex formed by SLC3A2 and SLC7A5/LAT1 may facilitate viral entry into host cell (PubMed:30341327).[UniProtKB:P26664][UniProtKB:Q99IB8]<ref>PMID:12356718</ref> <ref>PMID:12913001</ref> <ref>PMID:12970454</ref> <ref>PMID:14990718</ref> <ref>PMID:15371595</ref> <ref>PMID:16533059</ref> <ref>PMID:16894197</ref> <ref>PMID:19182773</ref> <ref>PMID:20375010</ref> <ref>PMID:22767607</ref> <ref>PMID:22855500</ref> <ref>PMID:24038151</ref> <ref>PMID:24698129</ref> <ref>PMID:24838241</ref> <ref>PMID:25122793</ref> <ref>PMID:28404852</ref> <ref>PMID:29505618</ref> <ref>PMID:29695434</ref> <ref>PMID:30341327</ref> Ion channel protein that acts as a viroporin and plays an essential role in the assembly, envelopment and secretion of viral particles (PubMed:12719519, PubMed:20824094, PubMed:27320856). Participates in virus envelopment by coordinating the encounter between NS5A and NS2-based assembly sites loaded with E1/E2 heterodimer, which subsequently leads to nucleocapsid envelopment (By similarity). Creates a pore in acidic organelles and releases Ca(2+) and H(+) in the cytoplasm of infected cells, leading to a productive viral infection (Probable) (PubMed:20824094). High levels of cytoplasmic Ca(2+) may trigger membrane trafficking and transport of viral ER-associated proteins to viroplasms, sites of viral genome replication (Probable). The release of Ca(2+) may also activate the inflamasome leading to chronic inflammation (Probable) (PubMed:31801866). Targets also host mitochondria and induces mitochondrial depolarization (PubMed:29039530). In addition of its role as a viroporin, acts as a lipid raft adhesion factor (PubMed:27320856).[UniProtKB:Q99IB8]<ref>PMID:12719519</ref> <ref>PMID:20824094</ref> <ref>PMID:27320856</ref> <ref>PMID:29039530</ref> <ref>PMID:31801866</ref> <ref>PMID:14741348</ref> <ref>PMID:24006444</ref> Cysteine protease required for the proteolytic auto-cleavage between the non-structural proteins NS2 and NS3 (PubMed:8248148). The N-terminus of NS3 is required for the function of NS2 protease (active region NS2-3) (By similarity). Promotes the initiation of viral particle assembly by mediating the interaction between structural and non-structural proteins (PubMed:21147927).[UniProtKB:P26663]<ref>PMID:21147927</ref> <ref>PMID:8248148</ref> Displays three enzymatic activities: serine protease with a chymotrypsin-like fold, NTPase and RNA helicase (PubMed:25551442). NS3 serine protease, in association with NS4A, is responsible for the cleavages of NS3-NS4A, NS4A-NS4B, NS4B-NS5A and NS5A-NS5B (PubMed:8189513, PubMed:8035505, PubMed:8386278). The NS3/NS4A complex prevents phosphorylation of host IRF3, thus preventing the establishment of dsRNA induced antiviral state (By similarity). The NS3/NS4A complex induces host amino acid transporter component SLC3A2, thus contributing to HCV propagation (PubMed:30341327). NS3 RNA helicase binds to RNA and unwinds both dsDNA and dsRNA in the 3' to 5' direction, and likely resolves RNA complicated stable secondary structures in the template strand (Probable). Binds a single ATP and catalyzes the unzipping of a single base pair of dsRNA (PubMed:21940894). Inhibits host antiviral proteins TBK1 and IRF3 thereby preventing the establishment of an antiviral state (By similarity). Cleaves host MAVS/CARDIF thereby preventing the establishment of an antiviral state (PubMed:16301520, PubMed:16177806). Cleaves host TICAM1/TRIF, thereby disrupting TLR3 signaling and preventing the establishment of an antiviral state (PubMed:15710891).[UniProtKB:Q9WMX2]<ref>PMID:15710891</ref> <ref>PMID:16177806</ref> <ref>PMID:16301520</ref> <ref>PMID:21940894</ref> <ref>PMID:25551442</ref> <ref>PMID:30341327</ref> <ref>PMID:8035505</ref> <ref>PMID:8189513</ref> <ref>PMID:8386278</ref> <ref>PMID:15269774</ref> Peptide cofactor which forms a non-covalent complex with the N-terminal of NS3 serine protease (PubMed:8189513, PubMed:21507982). The NS3/NS4A complex prevents phosphorylation of host IRF3, thus preventing the establishment of dsRNA induced antiviral state (By similarity). The NS3/NS4A complex induces host amino acid transporter component SLC3A2, thus contributing to HCV propagation (PubMed:30341327).[UniProtKB:Q9WMX2]<ref>PMID:21507982</ref> <ref>PMID:30341327</ref> <ref>PMID:8189513</ref> Induces a specific membrane alteration that serves as a scaffold for the virus replication complex (PubMed:12021330). This membrane alteration gives rise to the so-called ER-derived membranous web that contains the replication complex (PubMed:12021330). NS4B self-interaction contributes to its function in membranous web formation (PubMed:16731940). Promotes host TRIF protein degradation in a CASP8-dependent manner thereby inhibiting host TLR3-mediated interferon signaling (PubMed:29782532). Disrupts the interaction between STING and TBK1 contributing to the inhibition of interferon signaling (PubMed:23542348).<ref>PMID:12021330</ref> <ref>PMID:16731940</ref> <ref>PMID:23542348</ref> <ref>PMID:29782532</ref> Phosphorylated protein that is indispensable for viral replication and assembly (By similarity). Both hypo- and hyperphosphorylated states are required for the viral life cycle (By similarity). The hyperphosphorylated form of NS5A is an inhibitor of viral replication (By similarity). Involved in RNA-binding and especially in binding to the viral genome (Probable). Zinc is essential for RNA-binding (PubMed:20926572). Participates in the viral particle production as a result of its interaction with the viral mature core protein (By similarity). Its interaction with host VAPB may target the viral replication complex to vesicles (By similarity). Down-regulates viral IRES translation initiation (By similarity). Mediates interferon resistance, presumably by interacting with and inhibiting host EIF2AK2/PKR (PubMed:16951545). Prevents BIN1-induced apoptosis (PubMed:16530520). Acts as a transcriptional activator of some host genes important for viral replication when localized in the nucleus (By similarity). Via the interaction with host PACSIN2, modulates lipid droplet formation in order to promote virion assembly (PubMed:31801866). Modulates TNFRSF21/DR6 signaling pathway for viral propagation (PubMed:28743875).[UniProtKB:P26662][UniProtKB:P26664][UniProtKB:Q99IB8][UniProtKB:Q9WMX2]<ref>PMID:16530520</ref> <ref>PMID:16951545</ref> <ref>PMID:20926572</ref> <ref>PMID:28743875</ref> <ref>PMID:31801866</ref> <ref>PMID:20926572</ref> RNA-dependent RNA polymerase that performs primer-template recognition and RNA synthesis during viral replication.<ref>PMID:20729191</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 24:		Line 26:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Hepacivirus C]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Baker~~, S J~~]]	+	[[Category: Baker SJ]]
-	[[Category: Carballo~~, L H~~]]	+	[[Category: Carballo LH]]
-	[[Category: Convery~~, M A~~]]	+	[[Category: Convery MA]]
-	[[Category: Creech~~, K L~~]]	+	[[Category: Creech KL]]
-	[[Category: Crosby~~, R M~~]]	+	[[Category: Crosby RM]]
-	[[Category: Ding~~, C Z~~]]	+	[[Category: Ding CZ]]
-	[[Category: Fan, D]]	+	[[Category: Fan D]]
-	[[Category: Grimes~~, R M~~]]	+	[[Category: Grimes RM]]
-	[[Category: Hubbard~~, J A~~]]	+	[[Category: Hubbard JA]]
-	[[Category: Jarvest~~, R L~~]]	+	[[Category: Jarvest RL]]
-	[[Category: Kazmierski~~, W M~~]]	+	[[Category: Kazmierski WM]]
-	[[Category: Li, Q]]	+	[[Category: Li Q]]
-	[[Category: Li, X]]	+	[[Category: Li X]]
-	[[Category: Liao, L]]	+	[[Category: Liao L]]
-	[[Category: Liu, Y]]	+	[[Category: Liu Y]]
-	[[Category: McDowell, W]]	+	[[Category: McDowell W]]
-	[[Category: Nassau~~, P M~~]]	+	[[Category: Nassau PM]]
-	[[Category: Ni, Z J]]	+	[[Category: Ni Z-J]]
-	[[Category: Pennicott~~, L E~~]]	+	[[Category: Pennicott LE]]
-	[[Category: Plattner~~, J J~~]]	+	[[Category: Plattner JJ]]
-	[[Category: Qian, X]]	+	[[Category: Qian X]]
-	[[Category: Skarzynski~~, T J~~]]	+	[[Category: Skarzynski TJ]]
-	[[Category: Slater~~, M J~~]]	+	[[Category: Slater MJ]]
-	[[Category: Smith~~, G K~~]]	+	[[Category: Smith GK]]
-	[[Category: Thommes, P]]	+	[[Category: Thommes P]]
-	[[Category: Wright, J]]	+	[[Category: Wright J]]
-	[[Category: Wright~~, L L~~]]	+	[[Category: Wright LL]]
-	[[Category: Zhang, S]]	+	[[Category: Zhang S]]
-	[[Category: Zhang, Y K]]	+	[[Category: Zhang Y-K]]
-	[[Category: Zhou, Y]]	+	[[Category: Zhou Y]]
-	[[Category: Zou, W]]	+	[[Category: Zou W]]
-	~~[[Category: Hydrolase-hydrolase regulator complex]]~~	+
-	~~[[Category: Serine protease~~]]	+

OCA at 12:14, 27 April 2022

OCA — Wed, 27 Apr 2022 12:14:15 GMT

←Older revision		Revision as of 12:14, 27 April 2022
Line 3:		Line 3:
	<StructureSection load='2xni' size='340' side='right'caption='[[2xni]], [[Resolution\|resolution]] 3.30Å' scene=''>		<StructureSection load='2xni' size='340' side='right'caption='[[2xni]], [[Resolution\|resolution]] 3.30Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[2xni]] is a 4 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/9hepc 9hepc]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2XNI OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=2XNI FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[2xni]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/9hepc 9hepc]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2XNI OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2XNI FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=TR8:(1-{[(10-tert-butyl-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19,23,23a-tetradecahydro-1H,5H-2,23 5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosin-7(3H)-yl)carbonyl]amino}-3-hydroxypropyl)(trihydroxy)borate(1-)'>TR8</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=TR8:(1-{[(10-tert-butyl-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19,23,23a-tetradecahydro-1H,5H-2,23 5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosin-7(3H)-yl)carbonyl]amino}-3-hydroxypropyl)(trihydroxy)borate(1-)'>TR8</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2xcf\|2xcf]], [[2xcn\|2xcn]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[2xcf\|2xcf]], [[2xcn\|2xcn]]</div></td></tr>
-	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://proteopedia.org/fgij/fg.htm?mol=2xni FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2xni OCA], [~~http~~://pdbe.org/2xni PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=2xni RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/2xni PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=2xni ProSAT]</span></td></tr>	+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=2xni FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2xni OCA], [https://pdbe.org/2xni PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2xni RCSB], [https://www.ebi.ac.uk/pdbsum/2xni PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2xni ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 17:		Line 17:
	</div>		</div>
	<div class="pdbe-citations 2xni" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 2xni" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Virus protease 3D structures\|Virus protease 3D structures]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 12:13, 22 July 2020

OCA — Wed, 22 Jul 2020 12:13:47 GMT

←Older revision		Revision as of 12:13, 22 July 2020
Line 1:		Line 1:

	==Protein-ligand complex of a novel macrocyclic HCV NS3 protease inhibitor derived from amino cyclic boronates==		==Protein-ligand complex of a novel macrocyclic HCV NS3 protease inhibitor derived from amino cyclic boronates==
-	<StructureSection load='2xni' size='340' side='right' caption='[[2xni]], [[Resolution\|resolution]] 3.30Å' scene=''>	+	<StructureSection load='2xni' size='340' side='right'caption='[[2xni]], [[Resolution\|resolution]] 3.30Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[2xni]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/9hepc 9hepc]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2XNI OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=2XNI FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[2xni]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/9hepc 9hepc]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2XNI OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=2XNI FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=TR8:(1-{[(10-tert-butyl-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19,23,23a-tetradecahydro-1H,5H-2,23 5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosin-7(3H)-yl)carbonyl]amino}-3-hydroxypropyl)(trihydroxy)borate(1-)'>TR8</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=TR8:(1-{[(10-tert-butyl-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19,23,23a-tetradecahydro-1H,5H-2,23 5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosin-7(3H)-yl)carbonyl]amino}-3-hydroxypropyl)(trihydroxy)borate(1-)'>TR8</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2xcf\|2xcf]], [[2xcn\|2xcn]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2xcf\|2xcf]], [[2xcn\|2xcn]]</td></tr>
-	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=2xni FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2xni OCA], [http://pdbe.org/2xni PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2xni RCSB], [http://www.ebi.ac.uk/pdbsum/2xni PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2xni ProSAT]</span></td></tr>	+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=2xni FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2xni OCA], [http://pdbe.org/2xni PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2xni RCSB], [http://www.ebi.ac.uk/pdbsum/2xni PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2xni ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 21:		Line 21:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Large Structures]]
	[[Category: Baker, S J]]		[[Category: Baker, S J]]
	[[Category: Carballo, L H]]		[[Category: Carballo, L H]]

OCA at 09:08, 10 October 2018

OCA — Wed, 10 Oct 2018 09:08:18 GMT

←Older revision		Revision as of 09:08, 10 October 2018
Line 4:		Line 4:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2xni]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/9hepc 9hepc]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2XNI OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2XNI FirstGlance]. <br>		<table><tr><td colspan='2'>[[2xni]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/9hepc 9hepc]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2XNI OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2XNI FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=TR8:(1-{[(10-~~TERT~~-~~BUTYL~~-15,15-~~DIMETHYL~~-3,9,12-~~TRIOXO~~-6,7,9,10,11,12,14,15,16,17,18,19,23,~~23A~~-~~TETRADECAHYDRO~~-1H,5H-2,23 5,8-~~DIMETHANO~~-4,13,2,8,11-~~BENZODIOXATRIAZACYCLOHENICOSIN~~-7(3H)-YL)~~CARBONYL~~]~~AMINO~~}-3-~~HYDROXYPROPYL~~)(~~TRIHYDROXY~~)~~BORATE~~(1-)'>TR8</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=TR8:(1-{[(10-tert-butyl-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19,23,23a-tetradecahydro-1H,5H-2,23 5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosin-7(3H)-yl)carbonyl]amino}-3-hydroxypropyl)(trihydroxy)borate(1-)'>TR8</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2xcf\|2xcf]], [[2xcn\|2xcn]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2xcf\|2xcf]], [[2xcn\|2xcn]]</td></tr>
	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2xni FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2xni OCA], [http://pdbe.org/2xni PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2xni RCSB], [http://www.ebi.ac.uk/pdbsum/2xni PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2xni ProSAT]</span></td></tr>		<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2xni FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2xni OCA], [http://pdbe.org/2xni PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2xni RCSB], [http://www.ebi.ac.uk/pdbsum/2xni PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2xni ProSAT]</span></td></tr>
Line 36:		Line 36:
	[[Category: Liao, L]]		[[Category: Liao, L]]
	[[Category: Liu, Y]]		[[Category: Liu, Y]]
-	[[Category: ~~Mcdowell~~, W]]	+	[[Category: McDowell, W]]
	[[Category: Nassau, P M]]		[[Category: Nassau, P M]]
	[[Category: Ni, Z J]]		[[Category: Ni, Z J]]

OCA at 04:20, 5 August 2016

OCA — Fri, 05 Aug 2016 04:20:38 GMT

←Older revision		Revision as of 04:20, 5 August 2016
Line 1:		Line 1:
		+
	==Protein-ligand complex of a novel macrocyclic HCV NS3 protease inhibitor derived from amino cyclic boronates==		==Protein-ligand complex of a novel macrocyclic HCV NS3 protease inhibitor derived from amino cyclic boronates==
	<StructureSection load='2xni' size='340' side='right' caption='[[2xni]], [[Resolution\|resolution]] 3.30Å' scene=''>		<StructureSection load='2xni' size='340' side='right' caption='[[2xni]], [[Resolution\|resolution]] 3.30Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[2xni]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Hepatitis_c_virus Hepatitis c virus~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2XNI OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2XNI FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[2xni]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/9hepc 9hepc]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2XNI OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2XNI FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=TR8:(1-{[(10-TERT-BUTYL-15,15-DIMETHYL-3,9,12-TRIOXO-6,7,9,10,11,12,14,15,16,17,18,19,23,23A-TETRADECAHYDRO-1H,5H-2,23 5,8-DIMETHANO-4,13,2,8,11-BENZODIOXATRIAZACYCLOHENICOSIN-7(3H)-YL)CARBONYL]AMINO}-3-HYDROXYPROPYL)(TRIHYDROXY)BORATE(1-)'>TR8</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=TR8:(1-{[(10-TERT-BUTYL-15,15-DIMETHYL-3,9,12-TRIOXO-6,7,9,10,11,12,14,15,16,17,18,19,23,23A-TETRADECAHYDRO-1H,5H-2,23 5,8-DIMETHANO-4,13,2,8,11-BENZODIOXATRIAZACYCLOHENICOSIN-7(3H)-YL)CARBONYL]AMINO}-3-HYDROXYPROPYL)(TRIHYDROXY)BORATE(1-)'>TR8</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2xcf\|2xcf]], [[2xcn\|2xcn]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2xcf\|2xcf]], [[2xcn\|2xcn]]</td></tr>
-	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2xni FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2xni OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2xni RCSB], [http://www.ebi.ac.uk/pdbsum/2xni PDBsum]</span></td></tr>	+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2xni FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2xni OCA], [http://pdbe.org/2xni PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2xni RCSB], [http://www.ebi.ac.uk/pdbsum/2xni PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2xni ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 15:		Line 16:
	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
	</div>		</div>
		+	<div class="pdbe-citations 2xni" style="background-color:#fffaf0;"></div>
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Hepatitis c virus]]
	[[Category: Baker, S J]]		[[Category: Baker, S J]]
	[[Category: Carballo, L H]]		[[Category: Carballo, L H]]

OCA at 22:51, 3 January 2015

OCA — Sat, 03 Jan 2015 22:51:53 GMT

←Older revision		Revision as of 22:51, 3 January 2015
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2xni]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Hepatitis_c_virus Hepatitis c virus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2XNI OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2XNI FirstGlance]. <br>		<table><tr><td colspan='2'>[[2xni]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Hepatitis_c_virus Hepatitis c virus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2XNI OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2XNI FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=TR8:(1-{[(10-TERT-BUTYL-15,15-DIMETHYL-3,9,12-TRIOXO-6,7,9,10,11,12,14,15,16,17,18,19,23,23A-TETRADECAHYDRO-1H,5H-2,23 5,8-DIMETHANO-4,13,2,8,11-BENZODIOXATRIAZACYCLOHENICOSIN-7(3H)-YL)CARBONYL]AMINO}-3-HYDROXYPROPYL)(TRIHYDROXY)BORATE(1-)'>TR8</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene><br>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=TR8:(1-{[(10-TERT-BUTYL-15,15-DIMETHYL-3,9,12-TRIOXO-6,7,9,10,11,12,14,15,16,17,18,19,23,23A-TETRADECAHYDRO-1H,5H-2,23 5,8-DIMETHANO-4,13,2,8,11-BENZODIOXATRIAZACYCLOHENICOSIN-7(3H)-YL)CARBONYL]AMINO}-3-HYDROXYPROPYL)(TRIHYDROXY)BORATE(1-)'>TR8</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
-	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2xcf\|2xcf]], [[2xcn\|2xcn]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2xcf\|2xcf]], [[2xcn\|2xcn]]</td></tr>
-	<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2xni FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2xni OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2xni RCSB], [http://www.ebi.ac.uk/pdbsum/2xni PDBsum]</span></td></tr>	+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2xni FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2xni OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2xni RCSB], [http://www.ebi.ac.uk/pdbsum/2xni PDBsum]</span></td></tr>
-	<table>	+	</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 20:		Line 20:
	</StructureSection>		</StructureSection>
	[[Category: Hepatitis c virus]]		[[Category: Hepatitis c virus]]
-	[[Category: Baker, S J.]]	+	[[Category: Baker, S J]]
-	[[Category: Carballo, L H.]]	+	[[Category: Carballo, L H]]
-	[[Category: Convery, M A.]]	+	[[Category: Convery, M A]]
-	[[Category: Creech, K L.]]	+	[[Category: Creech, K L]]
-	[[Category: Crosby, R M.]]	+	[[Category: Crosby, R M]]
-	[[Category: Ding, C Z.]]	+	[[Category: Ding, C Z]]
-	[[Category: Fan, D.]]	+	[[Category: Fan, D]]
-	[[Category: Grimes, R M.]]	+	[[Category: Grimes, R M]]
-	[[Category: Hubbard, J A.]]	+	[[Category: Hubbard, J A]]
-	[[Category: Jarvest, R L.]]	+	[[Category: Jarvest, R L]]
-	[[Category: Kazmierski, W M.]]	+	[[Category: Kazmierski, W M]]
-	[[Category: Li, Q.]]	+	[[Category: Li, Q]]
-	[[Category: Li, X.]]	+	[[Category: Li, X]]
-	[[Category: Liao, L.]]	+	[[Category: Liao, L]]
-	[[Category: Liu, Y.]]	+	[[Category: Liu, Y]]
-	[[Category: Mcdowell, W.]]	+	[[Category: Mcdowell, W]]
-	[[Category: Nassau, P M.]]	+	[[Category: Nassau, P M]]
-	[[Category: Ni, Z J.]]	+	[[Category: Ni, Z J]]
-	[[Category: Pennicott, L E.]]	+	[[Category: Pennicott, L E]]
-	[[Category: Plattner, J J.]]	+	[[Category: Plattner, J J]]
-	[[Category: Qian, X.]]	+	[[Category: Qian, X]]
-	[[Category: Skarzynski, T J.]]	+	[[Category: Skarzynski, T J]]
-	[[Category: Slater, M J.]]	+	[[Category: Slater, M J]]
-	[[Category: Smith, G K.]]	+	[[Category: Smith, G K]]
-	[[Category: Thommes, P.]]	+	[[Category: Thommes, P]]
-	[[Category: Wright, J.]]	+	[[Category: Wright, J]]
-	[[Category: Wright, L L.]]	+	[[Category: Wright, L L]]
-	[[Category: Zhang, S.]]	+	[[Category: Zhang, S]]
-	[[Category: Zhang, Y K.]]	+	[[Category: Zhang, Y K]]
-	[[Category: Zhou, Y.]]	+	[[Category: Zhou, Y]]
-	[[Category: Zou, W.]]	+	[[Category: Zou, W]]
	[[Category: Hydrolase-hydrolase regulator complex]]		[[Category: Hydrolase-hydrolase regulator complex]]
	[[Category: Serine protease]]		[[Category: Serine protease]]

OCA at 09:09, 2 July 2014

OCA — Wed, 02 Jul 2014 09:09:34 GMT

←Older revision		Revision as of 09:09, 2 July 2014
Line 1:		Line 1:
-	[[~~Image:~~2xni.~~png~~\|~~left~~\|~~200px~~]]	+	==Protein-ligand complex of a novel macrocyclic HCV NS3 protease inhibitor derived from amino cyclic boronates==
		+	<StructureSection load='2xni' size='340' side='right' caption='[[2xni]], [[Resolution\|resolution]] 3.30Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[2xni]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Hepatitis_c_virus Hepatitis c virus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2XNI OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2XNI FirstGlance]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=TR8:(1-{[(10-TERT-BUTYL-15,15-DIMETHYL-3,9,12-TRIOXO-6,7,9,10,11,12,14,15,16,17,18,19,23,23A-TETRADECAHYDRO-1H,5H-2,23 5,8-DIMETHANO-4,13,2,8,11-BENZODIOXATRIAZACYCLOHENICOSIN-7(3H)-YL)CARBONYL]AMINO}-3-HYDROXYPROPYL)(TRIHYDROXY)BORATE(1-)'>TR8</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene><br>
		+	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2xcf\|2xcf]], [[2xcn\|2xcn]]</td></tr>
		+	<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2xni FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2xni OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2xni RCSB], [http://www.ebi.ac.uk/pdbsum/2xni PDBsum]</span></td></tr>
		+	<table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	A novel series of P2-P4 macrocyclic HCV NS3/4A protease inhibitors with alpha-amino cyclic boronates as warheads at the P1 site was designed and synthesized. When compared to their linear analogs, these macrocyclic inhibitors exhibited a remarkable improvement in cell-based replicon activities, with compounds 9a and 9e reaching sub-micromolar potency in replicon assay. The SAR around alpha-amino cyclic boronates clearly established the influence of ring size, chirality and of the substitution pattern. Furthermore, X-ray structure of the co-crystal of inhibitor 9a and NS3 protease revealed that Ser-139 in the enzyme active site traps boron in the warhead region of 9a, thus establishing its mode of action.

-	~~{{STRUCTURE_2xni\| PDB=2xni \| SCENE= }}~~	+	Novel macrocyclic HCV NS3 protease inhibitors derived from alpha-amino cyclic boronates.,Li X, Zhang YK, Liu Y, Ding CZ, Zhou Y, Li Q, Plattner JJ, Baker SJ, Zhang S, Kazmierski WM, Wright LL, Smith GK, Grimes RM, Crosby RM, Creech KL, Carballo LH, Slater MJ, Jarvest RL, Thommes P, Hubbard JA, Convery MA, Nassau PM, McDowell W, Skarzynski TJ, Qian X, Fan D, Liao L, Ni ZJ, Pennicott LE, Zou W, Wright J Bioorg Med Chem Lett. 2010 Oct 1;20(19):5695-700. Epub 2010 Aug 10. PMID:20801653<ref>PMID:20801653</ref>

-	~~===Protein-ligand complex~~ of ~~a novel macrocyclic HCV NS3 protease inhibitor derived from amino cyclic boronates===~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~{{ABSTRACT_PUBMED_20801653}}~~	+	== References ==
-		+	<references/>
-	==~~About this Structure~~==	+	__TOC__
-	~~[[2xni]] is a 4 chain structure with sequence from [http:~~//~~en.wikipedia.org/wiki/Hepatitis_c_virus Hepatitis c virus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2XNI OCA].~~	+	</StructureSection>
	[[Category: Hepatitis c virus]]		[[Category: Hepatitis c virus]]
	[[Category: Baker, S J.]]		[[Category: Baker, S J.]]

OCA at 20:34, 26 September 2012

OCA — Wed, 26 Sep 2012 20:34:20 GMT

←Older revision		Revision as of 20:34, 26 September 2012
Line 1:		Line 1:
-	[[Image:2xni.~~jpg~~\|left\|200px]]	+	[[Image:2xni.png\|left\|200px]]

-	<!--
-	The line below this paragraph, containing "STRUCTURE_2xni", creates the "Structure Box" on the page.
-	You may change the PDB parameter (which sets the PDB file loaded into the applet)
-	or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
-	or leave the SCENE parameter empty for the default display.
-	-->
	{{STRUCTURE_2xni\| PDB=2xni \| SCENE= }}		{{STRUCTURE_2xni\| PDB=2xni \| SCENE= }}

-	===~~PROTEIN~~-~~LIGAND COMPLEX OF A NOVEL MACROCYCLIC~~ HCV NS3 ~~PROTEASE INHIBITOR DERIVED FROM AMINO CYCLIC BORONATES~~===	+	===Protein-ligand complex of a novel macrocyclic HCV NS3 protease inhibitor derived from amino cyclic boronates===

		+	{{ABSTRACT_PUBMED_20801653}}

	==About this Structure==		==About this Structure==

OCA at 06:23, 17 August 2011

OCA — Wed, 17 Aug 2011 06:23:11 GMT

←Older revision		Revision as of 06:23, 17 August 2011
Line 1:		Line 1:
-	~~'''Unreleased structure'''~~	+	[[Image:2xni.jpg\|left\|200px]]

-	The ~~entry 2xni~~ is ~~ON HOLD~~ ~~until Paper Publication~~	+	<!--
		+	The line below this paragraph, containing "STRUCTURE_2xni", creates the "Structure Box" on the page.
		+	You may change the PDB parameter (which sets the PDB file loaded into the applet)
		+	or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
		+	or leave the SCENE parameter empty for the default display.
		+	-->
		+	{{STRUCTURE_2xni\| PDB=2xni \| SCENE= }}

-	~~Authors: Li, X., Zhang, Y.~~-K., Liu, Y., Ding, C.Z., Zhou, Y., Li, Q., Plattner, J.J., Baker, S.J., Zhang, S., Kazmierski, W.M., Wright, L.L., Smith, G.K., Grimes, R.M., Crosby, R.M., Creech, K.L., Carballo, L.H., Slater, M.J., Jarvest, R.L., Thommes, P., Hubbard, J.A~~., Convery, M.A., Nassau, P.M., McDowell, W., Skarzynski, T.J., Qian, X., Fan, D., Liao, L., Ni, Z.-J., Pennicott, L.E., Zou, W., Wright, J.~~	+	===PROTEIN-LIGAND COMPLEX OF A NOVEL MACROCYCLIC HCV NS3 PROTEASE INHIBITOR DERIVED FROM AMINO CYCLIC BORONATES===

-	~~Description~~: ~~Protein~~-~~ligand~~ complex ~~of a novel macrocyclic HCV NS3~~ protease ~~inhibitor derived from amino cyclic boronates~~	+
		+	==About this Structure==
		+	[[2xni]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Hepatitis_c_virus Hepatitis c virus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2XNI OCA].
		+	[[Category: Hepatitis c virus]]
		+	[[Category: Baker, S J.]]
		+	[[Category: Carballo, L H.]]
		+	[[Category: Convery, M A.]]
		+	[[Category: Creech, K L.]]
		+	[[Category: Crosby, R M.]]
		+	[[Category: Ding, C Z.]]
		+	[[Category: Fan, D.]]
		+	[[Category: Grimes, R M.]]
		+	[[Category: Hubbard, J A.]]
		+	[[Category: Jarvest, R L.]]
		+	[[Category: Kazmierski, W M.]]
		+	[[Category: Li, Q.]]
		+	[[Category: Li, X.]]
		+	[[Category: Liao, L.]]
		+	[[Category: Liu, Y.]]
		+	[[Category: Mcdowell, W.]]
		+	[[Category: Nassau, P M.]]
		+	[[Category: Ni, Z J.]]
		+	[[Category: Pennicott, L E.]]
		+	[[Category: Plattner, J J.]]
		+	[[Category: Qian, X.]]
		+	[[Category: Skarzynski, T J.]]
		+	[[Category: Slater, M J.]]
		+	[[Category: Smith, G K.]]
		+	[[Category: Thommes, P.]]
		+	[[Category: Wright, J.]]
		+	[[Category: Wright, L L.]]
		+	[[Category: Zhang, S.]]
		+	[[Category: Zhang, Y K.]]
		+	[[Category: Zhou, Y.]]
		+	[[Category: Zou, W.]]
		+	[[Category: Hydrolase-hydrolase regulator complex]]
		+	[[Category: Serine protease]]

OCA: Protected "2xni" [edit=sysop:move=sysop]

OCA — Wed, 27 Apr 2011 06:43:14 GMT

Protected "2xni" [edit=sysop:move=sysop]

←Older revision

Revision as of 06:43, 27 April 2011