4afe - Revision history

OCA at 11:25, 20 December 2023

OCA — Wed, 20 Dec 2023 11:25:44 GMT

←Older revision		Revision as of 11:25, 20 December 2023
Line 3:		Line 3:
	<StructureSection load='4afe' size='340' side='right'caption='[[4afe]], [[Resolution\|resolution]] 2.60Å' scene=''>		<StructureSection load='4afe' size='340' side='right'caption='[[4afe]], [[Resolution\|resolution]] 2.60Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4afe]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/~~Human Human~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4AFE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4AFE FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4afe]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4AFE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4AFE FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=GGY:4-(2-AMINO-5-{4-[(DIMETHYLAMINO)METHYL]THIOPHEN-2-YL}PYRIDIN-3-YL)-2-{[(1R,2Z)-4,4,4-TRIFLUORO-1-METHYLBUT-2-EN-1-YL]OXY}BENZAMIDE'>GGY</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]] 2.597Å</td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[2xkc\|2xkc]], [[2w5b\|2w5b]], [[2xnp\|2xnp]], [[2wqo\|2wqo]], [[4a4x\|4a4x]], [[2jav\|2jav]], [[2xke\|2xke]], [[2xkd\|2xkd]], [[2xk7\|2xk7]], [[2w5h\|2w5h]], [[2xkf\|2xkf]], [[2xk8\|2xk8]], [[2xno\|2xno]], [[2xk6\|2xk6]], [[2xnn\|2xnn]], [[2xk4\|2xk4]], [[2xk3\|2xk3]], [[2xnm\|2xnm]], [[2w5a\|2w5a]]</div></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=GGY:4-(2-AMINO-5-{4-[(DIMETHYLAMINO)METHYL]THIOPHEN-2-YL}PYRIDIN-3-YL)-2-{[(1R,2Z)-4,4,4-TRIFLUORO-1-METHYLBUT-2-EN-1-YL]OXY}BENZAMIDE'>GGY</scene></td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Non-specific_serine/threonine_protein_kinase Non-specific serine/threonine protein kinase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.1 2.7.11.1] </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=4afe FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4afe OCA], [https://pdbe.org/4afe PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4afe RCSB], [https://www.ebi.ac.uk/pdbsum/4afe PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4afe 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=4afe FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4afe OCA], [https://pdbe.org/4afe PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4afe RCSB], [https://www.ebi.ac.uk/pdbsum/4afe PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4afe ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/NEK2_HUMAN NEK2_HUMAN]] Protein kinase which is involved in the control of centrosome separation and bipolar spindle formation in mitotic cells and chromatin condensation in meiotic cells. Regulates centrosome separation (essential for the formation of bipolar spindles and high-fidelity chromosome separation) by phosphorylating centrosomal proteins such as CROCC, CEP250 and NINL, resulting in their displacement from the centrosomes. Regulates kinetochore microtubule attachment stability in mitosis via phosphorylation of NDC80. Involved in regulation of mitotic checkpoint protein complex via phosphorylation of CDC20 and MAD2L1. Plays an active role in chromatin condensation during the first meiotic division through phosphorylation of HMGA2. Phosphorylates: PPP1CC; SGOL1; NECAB3 and NPM1. Essential for localization of MAD2L1 to kinetochore and MAPK1 and NPM1 to the centrosome. Isoform 1 phosphorylates and activates NEK11 in G1/S-arrested cells. Isoform 2, which is not present in the nucleolus, does not.<ref>PMID:11742531</ref> <ref>PMID:14978040</ref> <ref>PMID:12857871</ref> <ref>PMID:15358203</ref> <ref>PMID:15388344</ref> <ref>PMID:15161910</ref> <ref>PMID:17283141</ref> <ref>PMID:17621308</ref> <ref>PMID:17626005</ref> <ref>PMID:18086858</ref> <ref>PMID:18297113</ref> <ref>PMID:20034488</ref> <ref>PMID:21076410</ref>	+	[https://www.uniprot.org/uniprot/NEK2_HUMAN NEK2_HUMAN] Protein kinase which is involved in the control of centrosome separation and bipolar spindle formation in mitotic cells and chromatin condensation in meiotic cells. Regulates centrosome separation (essential for the formation of bipolar spindles and high-fidelity chromosome separation) by phosphorylating centrosomal proteins such as CROCC, CEP250 and NINL, resulting in their displacement from the centrosomes. Regulates kinetochore microtubule attachment stability in mitosis via phosphorylation of NDC80. Involved in regulation of mitotic checkpoint protein complex via phosphorylation of CDC20 and MAD2L1. Plays an active role in chromatin condensation during the first meiotic division through phosphorylation of HMGA2. Phosphorylates: PPP1CC; SGOL1; NECAB3 and NPM1. Essential for localization of MAD2L1 to kinetochore and MAPK1 and NPM1 to the centrosome. Isoform 1 phosphorylates and activates NEK11 in G1/S-arrested cells. Isoform 2, which is not present in the nucleolus, does not.<ref>PMID:11742531</ref> <ref>PMID:14978040</ref> <ref>PMID:12857871</ref> <ref>PMID:15358203</ref> <ref>PMID:15388344</ref> <ref>PMID:15161910</ref> <ref>PMID:17283141</ref> <ref>PMID:17621308</ref> <ref>PMID:17626005</ref> <ref>PMID:18086858</ref> <ref>PMID:18297113</ref> <ref>PMID:20034488</ref> <ref>PMID:21076410</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 27:		Line 26:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Human~~]]	+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	~~[[Category: Non-specific serine/threonine protein kinase]]~~	+	[[Category: Bayliss R]]
-	[[Category: Bayliss, R]]	+	[[Category: Hoelder S]]
-	[[Category: Hoelder, S]]	+	[[Category: Innocenti P]]
-	[[Category: Innocenti, P]]	+	[[Category: Yeoh S]]
-	[[Category: Yeoh, S]]	+
-	~~[[Category: Mitosis]]~~	+
-	~~[[Category: Transferase~~]]	+

OCA at 05:32, 25 August 2022

OCA — Thu, 25 Aug 2022 05:32:19 GMT

←Older revision		Revision as of 05:32, 25 August 2022
Line 3:		Line 3:
	<StructureSection load='4afe' size='340' side='right'caption='[[4afe]], [[Resolution\|resolution]] 2.60Å' scene=''>		<StructureSection load='4afe' size='340' side='right'caption='[[4afe]], [[Resolution\|resolution]] 2.60Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4afe]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4AFE OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4AFE FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4afe]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4AFE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4AFE FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=GGY:4-(2-AMINO-5-{4-[(DIMETHYLAMINO)METHYL]THIOPHEN-2-YL}PYRIDIN-3-YL)-2-{[(1R,2Z)-4,4,4-TRIFLUORO-1-METHYLBUT-2-EN-1-YL]OXY}BENZAMIDE'>GGY</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=GGY:4-(2-AMINO-5-{4-[(DIMETHYLAMINO)METHYL]THIOPHEN-2-YL}PYRIDIN-3-YL)-2-{[(1R,2Z)-4,4,4-TRIFLUORO-1-METHYLBUT-2-EN-1-YL]OXY}BENZAMIDE'>GGY</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2xkc\|2xkc]], [[2w5b\|2w5b]], [[2xnp\|2xnp]], [[2wqo\|2wqo]], [[4a4x\|4a4x]], [[2jav\|2jav]], [[2xke\|2xke]], [[2xkd\|2xkd]], [[2xk7\|2xk7]], [[2w5h\|2w5h]], [[2xkf\|2xkf]], [[2xk8\|2xk8]], [[2xno\|2xno]], [[2xk6\|2xk6]], [[2xnn\|2xnn]], [[2xk4\|2xk4]], [[2xk3\|2xk3]], [[2xnm\|2xnm]], [[2w5a\|2w5a]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[2xkc\|2xkc]], [[2w5b\|2w5b]], [[2xnp\|2xnp]], [[2wqo\|2wqo]], [[4a4x\|4a4x]], [[2jav\|2jav]], [[2xke\|2xke]], [[2xkd\|2xkd]], [[2xk7\|2xk7]], [[2w5h\|2w5h]], [[2xkf\|2xkf]], [[2xk8\|2xk8]], [[2xno\|2xno]], [[2xk6\|2xk6]], [[2xnn\|2xnn]], [[2xk4\|2xk4]], [[2xk3\|2xk3]], [[2xnm\|2xnm]], [[2w5a\|2w5a]]</div></td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://en.wikipedia.org/wiki/Non-specific_serine/threonine_protein_kinase Non-specific serine/threonine protein kinase], with EC number [~~http~~://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.1 2.7.11.1] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Non-specific_serine/threonine_protein_kinase Non-specific serine/threonine protein kinase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.1 2.7.11.1] </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=4afe FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4afe OCA], [~~http~~://pdbe.org/4afe PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4afe RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4afe PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4afe 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=4afe FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4afe OCA], [https://pdbe.org/4afe PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4afe RCSB], [https://www.ebi.ac.uk/pdbsum/4afe PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4afe ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[~~http~~://www.uniprot.org/uniprot/NEK2_HUMAN NEK2_HUMAN]] Protein kinase which is involved in the control of centrosome separation and bipolar spindle formation in mitotic cells and chromatin condensation in meiotic cells. Regulates centrosome separation (essential for the formation of bipolar spindles and high-fidelity chromosome separation) by phosphorylating centrosomal proteins such as CROCC, CEP250 and NINL, resulting in their displacement from the centrosomes. Regulates kinetochore microtubule attachment stability in mitosis via phosphorylation of NDC80. Involved in regulation of mitotic checkpoint protein complex via phosphorylation of CDC20 and MAD2L1. Plays an active role in chromatin condensation during the first meiotic division through phosphorylation of HMGA2. Phosphorylates: PPP1CC; SGOL1; NECAB3 and NPM1. Essential for localization of MAD2L1 to kinetochore and MAPK1 and NPM1 to the centrosome. Isoform 1 phosphorylates and activates NEK11 in G1/S-arrested cells. Isoform 2, which is not present in the nucleolus, does not.<ref>PMID:11742531</ref> <ref>PMID:14978040</ref> <ref>PMID:12857871</ref> <ref>PMID:15358203</ref> <ref>PMID:15388344</ref> <ref>PMID:15161910</ref> <ref>PMID:17283141</ref> <ref>PMID:17621308</ref> <ref>PMID:17626005</ref> <ref>PMID:18086858</ref> <ref>PMID:18297113</ref> <ref>PMID:20034488</ref> <ref>PMID:21076410</ref>	+	[[https://www.uniprot.org/uniprot/NEK2_HUMAN NEK2_HUMAN]] Protein kinase which is involved in the control of centrosome separation and bipolar spindle formation in mitotic cells and chromatin condensation in meiotic cells. Regulates centrosome separation (essential for the formation of bipolar spindles and high-fidelity chromosome separation) by phosphorylating centrosomal proteins such as CROCC, CEP250 and NINL, resulting in their displacement from the centrosomes. Regulates kinetochore microtubule attachment stability in mitosis via phosphorylation of NDC80. Involved in regulation of mitotic checkpoint protein complex via phosphorylation of CDC20 and MAD2L1. Plays an active role in chromatin condensation during the first meiotic division through phosphorylation of HMGA2. Phosphorylates: PPP1CC; SGOL1; NECAB3 and NPM1. Essential for localization of MAD2L1 to kinetochore and MAPK1 and NPM1 to the centrosome. Isoform 1 phosphorylates and activates NEK11 in G1/S-arrested cells. Isoform 2, which is not present in the nucleolus, does not.<ref>PMID:11742531</ref> <ref>PMID:14978040</ref> <ref>PMID:12857871</ref> <ref>PMID:15358203</ref> <ref>PMID:15388344</ref> <ref>PMID:15161910</ref> <ref>PMID:17283141</ref> <ref>PMID:17621308</ref> <ref>PMID:17626005</ref> <ref>PMID:18086858</ref> <ref>PMID:18297113</ref> <ref>PMID:20034488</ref> <ref>PMID:21076410</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 22:		Line 22:

	==See Also==		==See Also==
-	*[[Serine/threonine protein kinase\|Serine/threonine protein kinase]]	+	*[[Serine/threonine protein kinase 3D structures\|Serine/threonine protein kinase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 28:		Line 28:
	</StructureSection>		</StructureSection>
	[[Category: Human]]		[[Category: Human]]
		+	[[Category: Large Structures]]
	[[Category: Non-specific serine/threonine protein kinase]]		[[Category: Non-specific serine/threonine protein kinase]]
	[[Category: Bayliss, R]]		[[Category: Bayliss, R]]

OCA at 09:42, 6 March 2019

OCA — Wed, 06 Mar 2019 09:42:25 GMT

←Older revision		Revision as of 09:42, 6 March 2019
Line 1:		Line 1:

	==Nek2 bound to hybrid compound 21==		==Nek2 bound to hybrid compound 21==
-	<StructureSection load='4afe' size='340' side='right' caption='[[4afe]], [[Resolution\|resolution]] 2.60Å' scene=''>	+	<StructureSection load='4afe' size='340' side='right'caption='[[4afe]], [[Resolution\|resolution]] 2.60Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4afe]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4AFE OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4AFE FirstGlance]. <br>		<table><tr><td colspan='2'>[[4afe]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4AFE OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4AFE FirstGlance]. <br>

OCA at 18:58, 4 August 2016

OCA — Thu, 04 Aug 2016 18:58:23 GMT

←Older revision		Revision as of 18:58, 4 August 2016
Line 1:		Line 1:
		+
	==Nek2 bound to hybrid compound 21==		==Nek2 bound to hybrid compound 21==
	<StructureSection load='4afe' size='340' side='right' caption='[[4afe]], [[Resolution\|resolution]] 2.60Å' scene=''>		<StructureSection load='4afe' size='340' side='right' caption='[[4afe]], [[Resolution\|resolution]] 2.60Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4afe]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Homo_sapiens Homo sapiens~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4AFE OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4AFE FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4afe]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4AFE OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4AFE FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=GGY:4-(2-AMINO-5-{4-[(DIMETHYLAMINO)METHYL]THIOPHEN-2-YL}PYRIDIN-3-YL)-2-{[(1R,2Z)-4,4,4-TRIFLUORO-1-METHYLBUT-2-EN-1-YL]OXY}BENZAMIDE'>GGY</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=GGY:4-(2-AMINO-5-{4-[(DIMETHYLAMINO)METHYL]THIOPHEN-2-YL}PYRIDIN-3-YL)-2-{[(1R,2Z)-4,4,4-TRIFLUORO-1-METHYLBUT-2-EN-1-YL]OXY}BENZAMIDE'>GGY</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2xkc\|2xkc]], [[2w5b\|2w5b]], [[2xnp\|2xnp]], [[2wqo\|2wqo]], [[4a4x\|4a4x]], [[2jav\|2jav]], [[2xke\|2xke]], [[2xkd\|2xkd]], [[2xk7\|2xk7]], [[2w5h\|2w5h]], [[2xkf\|2xkf]], [[2xk8\|2xk8]], [[2xno\|2xno]], [[2xk6\|2xk6]], [[2xnn\|2xnn]], [[2xk4\|2xk4]], [[2xk3\|2xk3]], [[2xnm\|2xnm]], [[2w5a\|2w5a]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2xkc\|2xkc]], [[2w5b\|2w5b]], [[2xnp\|2xnp]], [[2wqo\|2wqo]], [[4a4x\|4a4x]], [[2jav\|2jav]], [[2xke\|2xke]], [[2xkd\|2xkd]], [[2xk7\|2xk7]], [[2w5h\|2w5h]], [[2xkf\|2xkf]], [[2xk8\|2xk8]], [[2xno\|2xno]], [[2xk6\|2xk6]], [[2xnn\|2xnn]], [[2xk4\|2xk4]], [[2xk3\|2xk3]], [[2xnm\|2xnm]], [[2w5a\|2w5a]]</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Non-specific_serine/threonine_protein_kinase Non-specific serine/threonine protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.1 2.7.11.1] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Non-specific_serine/threonine_protein_kinase Non-specific serine/threonine protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.1 2.7.11.1] </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=4afe FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4afe OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4afe RCSB], [http://www.ebi.ac.uk/pdbsum/4afe 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=4afe FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4afe OCA], [http://pdbe.org/4afe PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4afe RCSB], [http://www.ebi.ac.uk/pdbsum/4afe PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4afe ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 18:		Line 19:
	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 4afe" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 25:		Line 27:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Homo sapiens~~]]	+	[[Category: Human]]
	[[Category: Non-specific serine/threonine protein kinase]]		[[Category: Non-specific serine/threonine protein kinase]]
	[[Category: Bayliss, R]]		[[Category: Bayliss, R]]

OCA at 18:28, 24 December 2014

OCA — Wed, 24 Dec 2014 18:28:28 GMT

←Older revision		Revision as of 18:28, 24 December 2014
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4afe]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4AFE OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4AFE FirstGlance]. <br>		<table><tr><td colspan='2'>[[4afe]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4AFE OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4AFE FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=GGY:4-(2-AMINO-5-{4-[(DIMETHYLAMINO)METHYL]THIOPHEN-2-YL}PYRIDIN-3-YL)-2-{[(1R,2Z)-4,4,4-TRIFLUORO-1-METHYLBUT-2-EN-1-YL]OXY}BENZAMIDE'>GGY</scene><br>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=GGY:4-(2-AMINO-5-{4-[(DIMETHYLAMINO)METHYL]THIOPHEN-2-YL}PYRIDIN-3-YL)-2-{[(1R,2Z)-4,4,4-TRIFLUORO-1-METHYLBUT-2-EN-1-YL]OXY}BENZAMIDE'>GGY</scene></td></tr>
-	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2xkc\|2xkc]], [[2w5b\|2w5b]], [[2xnp\|2xnp]], [[2wqo\|2wqo]], [[4a4x\|4a4x]], [[2jav\|2jav]], [[2xke\|2xke]], [[2xkd\|2xkd]], [[2xk7\|2xk7]], [[2w5h\|2w5h]], [[2xkf\|2xkf]], [[2xk8\|2xk8]], [[2xno\|2xno]], [[2xk6\|2xk6]], [[2xnn\|2xnn]], [[2xk4\|2xk4]], [[2xk3\|2xk3]], [[2xnm\|2xnm]], [[2w5a\|2w5a]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2xkc\|2xkc]], [[2w5b\|2w5b]], [[2xnp\|2xnp]], [[2wqo\|2wqo]], [[4a4x\|4a4x]], [[2jav\|2jav]], [[2xke\|2xke]], [[2xkd\|2xkd]], [[2xk7\|2xk7]], [[2w5h\|2w5h]], [[2xkf\|2xkf]], [[2xk8\|2xk8]], [[2xno\|2xno]], [[2xk6\|2xk6]], [[2xnn\|2xnn]], [[2xk4\|2xk4]], [[2xk3\|2xk3]], [[2xnm\|2xnm]], [[2w5a\|2w5a]]</td></tr>
-	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Non-specific_serine/threonine_protein_kinase Non-specific serine/threonine protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.1 2.7.11.1] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Non-specific_serine/threonine_protein_kinase Non-specific serine/threonine protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.1 2.7.11.1] </span></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=4afe FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4afe OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4afe RCSB], [http://www.ebi.ac.uk/pdbsum/4afe 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=4afe FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4afe OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4afe RCSB], [http://www.ebi.ac.uk/pdbsum/4afe PDBsum]</span></td></tr>
-	<table>	+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/NEK2_HUMAN NEK2_HUMAN]] Protein kinase which is involved in the control of centrosome separation and bipolar spindle formation in mitotic cells and chromatin condensation in meiotic cells. Regulates centrosome separation (essential for the formation of bipolar spindles and high-fidelity chromosome separation) by phosphorylating centrosomal proteins such as CROCC, CEP250 and NINL, resulting in their displacement from the centrosomes. Regulates kinetochore microtubule attachment stability in mitosis via phosphorylation of NDC80. Involved in regulation of mitotic checkpoint protein complex via phosphorylation of CDC20 and MAD2L1. Plays an active role in chromatin condensation during the first meiotic division through phosphorylation of HMGA2. Phosphorylates: PPP1CC; SGOL1; NECAB3 and NPM1. Essential for localization of MAD2L1 to kinetochore and MAPK1 and NPM1 to the centrosome. Isoform 1 phosphorylates and activates NEK11 in G1/S-arrested cells. Isoform 2, which is not present in the nucleolus, does not.<ref>PMID:11742531</ref> <ref>PMID:14978040</ref> <ref>PMID:12857871</ref> <ref>PMID:15358203</ref> <ref>PMID:15388344</ref> <ref>PMID:15161910</ref> <ref>PMID:17283141</ref> <ref>PMID:17621308</ref> <ref>PMID:17626005</ref> <ref>PMID:18086858</ref> <ref>PMID:18297113</ref> <ref>PMID:20034488</ref> <ref>PMID:21076410</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 25:		Line 27:
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
	[[Category: Non-specific serine/threonine protein kinase]]		[[Category: Non-specific serine/threonine protein kinase]]
-	[[Category: Bayliss, R.]]	+	[[Category: Bayliss, R]]
-	[[Category: Hoelder, S.]]	+	[[Category: Hoelder, S]]
-	[[Category: Innocenti, P.]]	+	[[Category: Innocenti, P]]
-	[[Category: Yeoh, S.]]	+	[[Category: Yeoh, S]]
	[[Category: Mitosis]]		[[Category: Mitosis]]
	[[Category: Transferase]]		[[Category: Transferase]]

OCA at 08:35, 5 June 2014

OCA — Thu, 05 Jun 2014 08:35:47 GMT

←Older revision		Revision as of 08:35, 5 June 2014
Line 1:		Line 1:
-	[[~~Image:~~4afe.~~jpg~~\|~~left~~\|~~200px~~]]	+	==Nek2 bound to hybrid compound 21==
		+	<StructureSection load='4afe' size='340' side='right' caption='[[4afe]], [[Resolution\|resolution]] 2.60Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[4afe]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4AFE OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4AFE FirstGlance]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=GGY:4-(2-AMINO-5-{4-[(DIMETHYLAMINO)METHYL]THIOPHEN-2-YL}PYRIDIN-3-YL)-2-{[(1R,2Z)-4,4,4-TRIFLUORO-1-METHYLBUT-2-EN-1-YL]OXY}BENZAMIDE'>GGY</scene><br>
		+	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2xkc\|2xkc]], [[2w5b\|2w5b]], [[2xnp\|2xnp]], [[2wqo\|2wqo]], [[4a4x\|4a4x]], [[2jav\|2jav]], [[2xke\|2xke]], [[2xkd\|2xkd]], [[2xk7\|2xk7]], [[2w5h\|2w5h]], [[2xkf\|2xkf]], [[2xk8\|2xk8]], [[2xno\|2xno]], [[2xk6\|2xk6]], [[2xnn\|2xnn]], [[2xk4\|2xk4]], [[2xk3\|2xk3]], [[2xnm\|2xnm]], [[2w5a\|2w5a]]</td></tr>
		+	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Non-specific_serine/threonine_protein_kinase Non-specific serine/threonine protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.1 2.7.11.1] </span></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=4afe FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4afe OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4afe RCSB], [http://www.ebi.ac.uk/pdbsum/4afe PDBsum]</span></td></tr>
		+	<table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	We report herein a series of Nek2 inhibitors based on an aminopyridine scaffold. These compounds have been designed by combining key elements of two previously discovered chemical series. Structure based design led to aminopyridine (R)-21, a potent and selective inhibitor able to modulate Nek2 activity in cells.

-	<!--	+	Design of potent and selective hybrid inhibitors of the mitotic kinase nek2: structure-activity relationship, structural biology, and cellular activity.,Innocenti P, Cheung KM, Solanki S, Mas-Droux C, Rowan F, Yeoh S, Boxall K, Westlake M, Pickard L, Hardy T, Baxter JE, Aherne GW, Bayliss R, Fry AM, Hoelder S J Med Chem. 2012 Apr 12;55(7):3228-41. Epub 2012 Mar 23. PMID:22404346<ref>PMID:22404346</ref>
-	~~The line below this paragraph~~, ~~containing "STRUCTURE_4afe"~~, ~~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_4afe\| PDB=4afe \| SCENE= }}~~	+

-	~~===Nek2 bound to hybrid compound 21===~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>

-		+	==See Also==
-	~~<!--~~	+	*[[Serine/threonine protein kinase\|Serine/threonine protein kinase]]
-	~~The line below this paragraph, {{ABSTRACT_PUBMED_22404346}}, adds the Publication Abstract to the page~~	+	== References ==
-	~~(as it appears on PubMed at http://www.pubmed.gov), where 22404346 is the PubMed ID number.~~	+	<references/>
-	~~-->~~	+	__TOC__
-	~~{{ABSTRACT_PUBMED_22404346}}~~	+	</StructureSection>
-		+
-	==~~About this Structure~~==	+
-	[[~~4afe]] is a 1 chain structure with sequence from [http:~~//~~en.wikipedia.org/wiki/Homo_sapiens Homo sapiens~~]~~. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4AFE OCA~~].	+
-		+
-	==~~Reference~~==	+
-	<~~ref group="xtra">PMID:022404346<~~/~~ref~~><~~references group="xtra"~~/>	+
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
	[[Category: Non-specific serine/threonine protein kinase]]		[[Category: Non-specific serine/threonine protein kinase]]

OCA at 09:17, 25 April 2012

OCA — Wed, 25 Apr 2012 09:17:49 GMT

←Older revision		Revision as of 09:17, 25 April 2012
Line 1:		Line 1:
-	~~'''Unreleased structure'''~~	+	[[Image:4afe.jpg\|left\|200px]]

-	The ~~entry 4afe~~ is ~~ON HOLD~~ ~~until Paper Publication~~	+	<!--
		+	The line below this paragraph, containing "STRUCTURE_4afe", 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_4afe\| PDB=4afe \| SCENE= }}

-	~~Authors: Yeoh, S., Innocenti, P., Hoelder, S., Bayliss, R.~~	+	===Nek2 bound to hybrid compound 21===

-	~~Description: Nek2 bound~~ to ~~hybrid compound 21~~	+
		+	<!--
		+	The line below this paragraph, {{ABSTRACT_PUBMED_22404346}}, adds the Publication Abstract to the page
		+	(as it appears on PubMed at http://www.pubmed.gov), where 22404346 is the PubMed ID number.
		+	-->
		+	{{ABSTRACT_PUBMED_22404346}}
		+
		+	==About this Structure==
		+	[[4afe]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4AFE OCA].
		+
		+	==Reference==
		+	<ref group="xtra">PMID:022404346</ref><references group="xtra"/>
		+	[[Category: Homo sapiens]]
		+	[[Category: Non-specific serine/threonine protein kinase]]
		+	[[Category: Bayliss, R.]]
		+	[[Category: Hoelder, S.]]
		+	[[Category: Innocenti, P.]]
		+	[[Category: Yeoh, S.]]
		+	[[Category: Mitosis]]
		+	[[Category: Transferase]]

OCA at 06:57, 1 February 2012

OCA — Wed, 01 Feb 2012 06:57:03 GMT

←Older revision		Revision as of 06:57, 1 February 2012
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 4afe is ON HOLD	+	The entry 4afe is ON HOLD until Paper Publication

	Authors: Yeoh, S., Innocenti, P., Hoelder, S., Bayliss, R.		Authors: Yeoh, S., Innocenti, P., Hoelder, S., Bayliss, R.

-	Description: Nek2 bound to hybrid compound 17	+	Description: Nek2 bound to hybrid compound 21

OCA: Protected "4afe" [edit=sysop:move=sysop]

OCA — Wed, 25 Jan 2012 06:08:29 GMT

Protected "4afe" [edit=sysop:move=sysop]

←Older revision

Revision as of 06:08, 25 January 2012

OCA: New page: '''Unreleased structure''' The entry 4afe is ON HOLD Authors: Yeoh, S., Innocenti, P., Hoelder, S., Bayliss, R. Description: Nek2 bound to hybrid compound 17

OCA — Wed, 25 Jan 2012 06:08:28 GMT

New page: '''Unreleased structure''' The entry 4afe is ON HOLD Authors: Yeoh, S., Innocenti, P., Hoelder, S., Bayliss, R. Description: Nek2 bound to hybrid compound 17

New page

'''Unreleased structure'''

The entry 4afe is ON HOLD

Authors: Yeoh, S., Innocenti, P., Hoelder, S., Bayliss, R.

Description: Nek2 bound to hybrid compound 17