3wzj - Revision history

OCA at 19:22, 29 May 2024

OCA — Wed, 29 May 2024 19:22:55 GMT

←Older revision		Revision as of 19:22, 29 May 2024
Line 1:		Line 1:

	==CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 4-(6-(cyclohexylamino)-8-(((tetrahydro-2H-pyran-4-yl)methyl)amino)imidazo[1,2-b]pyridazin-3-yl)-N-cyclopropylbenzamide==		==CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 4-(6-(cyclohexylamino)-8-(((tetrahydro-2H-pyran-4-yl)methyl)amino)imidazo[1,2-b]pyridazin-3-yl)-N-cyclopropylbenzamide==
-	<StructureSection load='3wzj' size='340' side='right'caption='[[3wzj]]' scene=''>	+	<StructureSection load='3wzj' size='340' side='right'caption='[[3wzj]], [[Resolution\|resolution]] 2.75Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3WZJ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3WZJ FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3wzj]] 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=3WZJ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3WZJ FirstGlance]. <br>
-	</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=3wzj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wzj OCA], [https://pdbe.org/3wzj PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3wzj RCSB], [https://www.ebi.ac.uk/pdbsum/3wzj PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3wzj ProSAT]</span></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]] 2.75Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=O43:4-{6-(CYCLOHEXYLAMINO)-8-[(TETRAHYDRO-2H-PYRAN-4-YLMETHYL)AMINO]IMIDAZO[1,2-B]PYRIDAZIN-3-YL}-N-CYCLOPROPYLBENZAMIDE'>O43</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=3wzj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wzj OCA], [https://pdbe.org/3wzj PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3wzj RCSB], [https://www.ebi.ac.uk/pdbsum/3wzj PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3wzj ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/TTK_HUMAN TTK_HUMAN] Phosphorylates proteins on serine, threonine, and tyrosine. Probably associated with cell proliferation. Essential for chromosome alignment by enhancing AURKB activity (via direct CDCA8 phosphorylation) at the centromere, and for the mitotic checkpoint.<ref>PMID:18243099</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Monopolar spindle 1 (Mps1) is an attractive oncology target due to its high expression level in cancer cells as well as the correlation of its expression levels with histological grades of cancers. An imidazo[1,2-a]pyrazine 10a was identified during an HTS campaign. Although 10a exhibited good biochemical activity, its moderate cellular as well as antiproliferative activities needed to be improved. The cocrystal structure of an analogue of 10a guided our lead optimization to introduce substituents at the 6-position of the scaffold, giving the 6-aryl substituted 21b which had improved cellular activity but no oral bioavailability in rat. Property-based optimization at the 6-position and a scaffold change led to the discovery of the imidazo[1,2-b]pyridazine-based 27f, an extremely potent (cellular Mps1 IC50 = 0.70 nM, A549 IC50 = 6.0 nM), selective Mps1 inhibitor over 192 kinases, which could be orally administered and was active in vivo. This 27f demonstrated remarkable antiproliferative activity in the nanomolar range against various tissue cancer cell lines.
		+
		+	Discovery of Imidazo[1,2-b]pyridazine Derivatives: Selective and Orally Available Mps1 (TTK) Kinase Inhibitors Exhibiting Remarkable Antiproliferative Activity.,Kusakabe KI, Ide N, Daigo Y, Itoh T, Yamamoto T, Hashizume H, Nozu K, Yoshida H, Tadano G, Tagashira S, Higashino K, Okano Y, Sato Y, Inoue M, Iguchi M, Kanazawa T, Ishioka Y, Dohi K, Kido Y, Sakamoto S, Ando S, Maeda M, Higaki M, Baba Y, Nakamura Y J Med Chem. 2015 Feb 10. PMID:25625617<ref>PMID:25625617</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 3wzj" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
	*[[Dual specificity protein kinase 3D structures\|Dual specificity protein kinase 3D structures]]		*[[Dual specificity protein kinase 3D structures\|Dual specificity protein kinase 3D structures]]
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
	[[Category: Ando S]]		[[Category: Ando S]]

OCA at 10:39, 31 August 2022

OCA — Wed, 31 Aug 2022 10:39:39 GMT

←Older revision		Revision as of 10:39, 31 August 2022
Line 1:		Line 1:

	==CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 4-(6-(cyclohexylamino)-8-(((tetrahydro-2H-pyran-4-yl)methyl)amino)imidazo[1,2-b]pyridazin-3-yl)-N-cyclopropylbenzamide==		==CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 4-(6-(cyclohexylamino)-8-(((tetrahydro-2H-pyran-4-yl)methyl)amino)imidazo[1,2-b]pyridazin-3-yl)-N-cyclopropylbenzamide==
-	<StructureSection load='3wzj' size='340' side='right'caption='[[3wzj]]~~, [[Resolution\|resolution]] 2.75Å~~' scene=''>	+	<StructureSection load='3wzj' size='340' side='right'caption='[[3wzj]]' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>~~[[3wzj]] is a 1 chain structure.~~ Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3WZJ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3WZJ FirstGlance]. <br>	+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3WZJ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3WZJ FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=O43:4-{6-(CYCLOHEXYLAMINO)-8-[(TETRAHYDRO-2H-PYRAN-4-YLMETHYL)AMINO]IMIDAZO[1,2-B]PYRIDAZIN-3-YL}-N-CYCLOPROPYLBENZAMIDE'>O43</scene></td></tr>	+	</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=3wzj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wzj OCA], [https://pdbe.org/3wzj PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3wzj RCSB], [https://www.ebi.ac.uk/pdbsum/3wzj PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3wzj ProSAT]</span></td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3wzk\|3wzk]]</div></td></tr>~~	+
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Dual-specificity_kinase Dual-specificity kinase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.12.1 2.7.12.1] </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=3wzj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wzj OCA], [https://pdbe.org/3wzj PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3wzj RCSB], [https://www.ebi.ac.uk/pdbsum/3wzj PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3wzj ProSAT]</span></td></tr>	+
	</table>		</table>
-	== Function ==
-	[[https://www.uniprot.org/uniprot/TTK_HUMAN TTK_HUMAN]] Phosphorylates proteins on serine, threonine, and tyrosine. Probably associated with cell proliferation. Essential for chromosome alignment by enhancing AURKB activity (via direct CDCA8 phosphorylation) at the centromere, and for the mitotic checkpoint.<ref>PMID:18243099</ref>
-	<div style="background-color:#fffaf0;">
-	== Publication Abstract from PubMed ==
-	Monopolar spindle 1 (Mps1) is an attractive oncology target due to its high expression level in cancer cells as well as the correlation of its expression levels with histological grades of cancers. An imidazo[1,2-a]pyrazine 10a was identified during an HTS campaign. Although 10a exhibited good biochemical activity, its moderate cellular as well as antiproliferative activities needed to be improved. The cocrystal structure of an analogue of 10a guided our lead optimization to introduce substituents at the 6-position of the scaffold, giving the 6-aryl substituted 21b which had improved cellular activity but no oral bioavailability in rat. Property-based optimization at the 6-position and a scaffold change led to the discovery of the imidazo[1,2-b]pyridazine-based 27f, an extremely potent (cellular Mps1 IC50 = 0.70 nM, A549 IC50 = 6.0 nM), selective Mps1 inhibitor over 192 kinases, which could be orally administered and was active in vivo. This 27f demonstrated remarkable antiproliferative activity in the nanomolar range against various tissue cancer cell lines.
-
-	Discovery of Imidazo[1,2-b]pyridazine Derivatives: Selective and Orally Available Mps1 (TTK) Kinase Inhibitors Exhibiting Remarkable Antiproliferative Activity.,Kusakabe KI, Ide N, Daigo Y, Itoh T, Yamamoto T, Hashizume H, Nozu K, Yoshida H, Tadano G, Tagashira S, Higashino K, Okano Y, Sato Y, Inoue M, Iguchi M, Kanazawa T, Ishioka Y, Dohi K, Kido Y, Sakamoto S, Ando S, Maeda M, Higaki M, Baba Y, Nakamura Y J Med Chem. 2015 Feb 10. PMID:25625617<ref>PMID:25625617</ref>
-
-	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	</div>
-	<div class="pdbe-citations 3wzj" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
	*[[Dual specificity protein kinase 3D structures\|Dual specificity protein kinase 3D structures]]		*[[Dual specificity protein kinase 3D structures\|Dual specificity protein kinase 3D structures]]
-	== References ==
-	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Dual-specificity kinase]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Ando, S]]	+	[[Category: Ando S]]
-	[[Category: Daigo, Y]]	+	[[Category: Daigo Y]]
-	[[Category: Dohi, K]]	+	[[Category: Dohi K]]
-	[[Category: Higaki, M]]	+	[[Category: Higaki M]]
-	[[Category: Higashino, K]]	+	[[Category: Higashino K]]
-	[[Category: Ide, N]]	+	[[Category: Ide N]]
-	[[Category: Iguchi, M]]	+	[[Category: Iguchi M]]
-	[[Category: Inoue, M]]	+	[[Category: Inoue M]]
-	[[Category: Ishioka, Y]]	+	[[Category: Ishioka Y]]
-	[[Category: Itoh, T]]	+	[[Category: Itoh T]]
-	[[Category: Kanazawa, T]]	+	[[Category: Kanazawa T]]
-	[[Category: Kido, Y]]	+	[[Category: Kido Y]]
-	[[Category: Kojima, E]]	+	[[Category: Kojima E]]
-	[[Category: Kusakabe, K]]	+	[[Category: Kusakabe K]]
-	[[Category: Maeda, M]]	+	[[Category: Maeda M]]
-	[[Category: Mitsuoka, Y]]	+	[[Category: Mitsuoka Y]]
-	[[Category: Mura, H]]	+	[[Category: Mura H]]
-	[[Category: Nakamura, Y]]	+	[[Category: Nakamura Y]]
-	[[Category: Okano, Y]]	+	[[Category: Okano Y]]
-	[[Category: Sakamoto, S]]	+	[[Category: Sakamoto S]]
-	[[Category: Sato, Y]]	+	[[Category: Sato Y]]
-	[[Category: Tadano, G]]	+	[[Category: Tadano G]]
-	[[Category: Tagashira, S]]	+	[[Category: Tagashira S]]
-	[[Category: Yamamoto, T]]	+	[[Category: Yamamoto T]]
-	[[Category: Yoshizawa, H]]	+	[[Category: Yoshizawa H]]
-	~~[[Category: Atp binding]]~~	+
-	~~[[Category: Phosphorylation]]~~	+
-	~~[[Category: Transferase~~]]	+

OCA at 05:00, 25 August 2022

OCA — Thu, 25 Aug 2022 05:00:32 GMT

←Older revision		Revision as of 05:00, 25 August 2022
Line 3:		Line 3:
	<StructureSection load='3wzj' size='340' side='right'caption='[[3wzj]], [[Resolution\|resolution]] 2.75Å' scene=''>		<StructureSection load='3wzj' size='340' side='right'caption='[[3wzj]], [[Resolution\|resolution]] 2.75Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3wzj]] 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=3WZJ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3WZJ FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3wzj]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3WZJ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3WZJ FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=O43:4-{6-(CYCLOHEXYLAMINO)-8-[(TETRAHYDRO-2H-PYRAN-4-YLMETHYL)AMINO]IMIDAZO[1,2-B]PYRIDAZIN-3-YL}-N-CYCLOPROPYLBENZAMIDE'>O43</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=O43:4-{6-(CYCLOHEXYLAMINO)-8-[(TETRAHYDRO-2H-PYRAN-4-YLMETHYL)AMINO]IMIDAZO[1,2-B]PYRIDAZIN-3-YL}-N-CYCLOPROPYLBENZAMIDE'>O43</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3wzk\|3wzk]]</div></td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3wzk\|3wzk]]</div></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">TTK, MPS1, MPS1L1 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Dual-specificity_kinase Dual-specificity kinase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.12.1 2.7.12.1] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Dual-specificity_kinase Dual-specificity kinase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.12.1 2.7.12.1] </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=3wzj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wzj OCA], [https://pdbe.org/3wzj PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3wzj RCSB], [https://www.ebi.ac.uk/pdbsum/3wzj PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3wzj 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=3wzj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wzj OCA], [https://pdbe.org/3wzj PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3wzj RCSB], [https://www.ebi.ac.uk/pdbsum/3wzj PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3wzj ProSAT]</span></td></tr>
Line 29:		Line 28:
	</StructureSection>		</StructureSection>
	[[Category: Dual-specificity kinase]]		[[Category: Dual-specificity kinase]]
-	[[Category: Human]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
	[[Category: Ando, S]]		[[Category: Ando, S]]

OCA at 05:36, 10 August 2022

OCA — Wed, 10 Aug 2022 05:36:31 GMT

←Older revision		Revision as of 05:36, 10 August 2022
Line 1:		Line 1:

	==CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 4-(6-(cyclohexylamino)-8-(((tetrahydro-2H-pyran-4-yl)methyl)amino)imidazo[1,2-b]pyridazin-3-yl)-N-cyclopropylbenzamide==		==CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 4-(6-(cyclohexylamino)-8-(((tetrahydro-2H-pyran-4-yl)methyl)amino)imidazo[1,2-b]pyridazin-3-yl)-N-cyclopropylbenzamide==
-	<StructureSection load='3wzj' size='340' side='right' caption='[[3wzj]], [[Resolution\|resolution]] 2.75Å' scene=''>	+	<StructureSection load='3wzj' size='340' side='right'caption='[[3wzj]], [[Resolution\|resolution]] 2.75Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3wzj]] 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=3WZJ OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=3WZJ FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3wzj]] 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=3WZJ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3WZJ FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=O43:4-{6-(CYCLOHEXYLAMINO)-8-[(TETRAHYDRO-2H-PYRAN-4-YLMETHYL)AMINO]IMIDAZO[1,2-B]PYRIDAZIN-3-YL}-N-CYCLOPROPYLBENZAMIDE'>O43</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=O43:4-{6-(CYCLOHEXYLAMINO)-8-[(TETRAHYDRO-2H-PYRAN-4-YLMETHYL)AMINO]IMIDAZO[1,2-B]PYRIDAZIN-3-YL}-N-CYCLOPROPYLBENZAMIDE'>O43</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3wzk\|3wzk]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3wzk\|3wzk]]</div></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">TTK, MPS1, MPS1L1 ([~~http~~://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">TTK, MPS1, MPS1L1 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://en.wikipedia.org/wiki/Dual-specificity_kinase Dual-specificity kinase], with EC number [~~http~~://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.12.1 2.7.12.1] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Dual-specificity_kinase Dual-specificity kinase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.12.1 2.7.12.1] </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=3wzj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wzj OCA], [~~http~~://pdbe.org/3wzj PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=3wzj RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/3wzj PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=3wzj 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=3wzj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wzj OCA], [https://pdbe.org/3wzj PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3wzj RCSB], [https://www.ebi.ac.uk/pdbsum/3wzj PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3wzj ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[~~http~~://www.uniprot.org/uniprot/TTK_HUMAN TTK_HUMAN]] Phosphorylates proteins on serine, threonine, and tyrosine. Probably associated with cell proliferation. Essential for chromosome alignment by enhancing AURKB activity (via direct CDCA8 phosphorylation) at the centromere, and for the mitotic checkpoint.<ref>PMID:18243099</ref>	+	[[https://www.uniprot.org/uniprot/TTK_HUMAN TTK_HUMAN]] Phosphorylates proteins on serine, threonine, and tyrosine. Probably associated with cell proliferation. Essential for chromosome alignment by enhancing AURKB activity (via direct CDCA8 phosphorylation) at the centromere, and for the mitotic checkpoint.<ref>PMID:18243099</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 21:		Line 21:
	</div>		</div>
	<div class="pdbe-citations 3wzj" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 3wzj" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Dual specificity protein kinase 3D structures\|Dual specificity protein kinase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 27:		Line 30:
	[[Category: Dual-specificity kinase]]		[[Category: Dual-specificity kinase]]
	[[Category: Human]]		[[Category: Human]]
		+	[[Category: Large Structures]]
	[[Category: Ando, S]]		[[Category: Ando, S]]
	[[Category: Daigo, Y]]		[[Category: Daigo, Y]]

OCA at 08:12, 22 November 2017

OCA — Wed, 22 Nov 2017 08:12:18 GMT

←Older revision		Revision as of 08:12, 22 November 2017
Line 3:		Line 3:
	<StructureSection load='3wzj' size='340' side='right' caption='[[3wzj]], [[Resolution\|resolution]] 2.75Å' scene=''>		<StructureSection load='3wzj' size='340' side='right' caption='[[3wzj]], [[Resolution\|resolution]] 2.75Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3wzj]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3WZJ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3WZJ FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3wzj]] 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=3WZJ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3WZJ FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=O43:4-{6-(CYCLOHEXYLAMINO)-8-[(TETRAHYDRO-2H-PYRAN-4-YLMETHYL)AMINO]IMIDAZO[1,2-B]PYRIDAZIN-3-YL}-N-CYCLOPROPYLBENZAMIDE'>O43</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=O43:4-{6-(CYCLOHEXYLAMINO)-8-[(TETRAHYDRO-2H-PYRAN-4-YLMETHYL)AMINO]IMIDAZO[1,2-B]PYRIDAZIN-3-YL}-N-CYCLOPROPYLBENZAMIDE'>O43</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3wzk\|3wzk]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3wzk\|3wzk]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">TTK, MPS1, MPS1L1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Dual-specificity_kinase Dual-specificity kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.12.1 2.7.12.1] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Dual-specificity_kinase Dual-specificity kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.12.1 2.7.12.1] </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=3wzj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wzj OCA], [http://pdbe.org/3wzj PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3wzj RCSB], [http://www.ebi.ac.uk/pdbsum/3wzj PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3wzj 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=3wzj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wzj OCA], [http://pdbe.org/3wzj PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3wzj RCSB], [http://www.ebi.ac.uk/pdbsum/3wzj PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3wzj ProSAT]</span></td></tr>
Line 20:		Line 21:
	</div>		</div>
	<div class="pdbe-citations 3wzj" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 3wzj" style="background-color:#fffaf0;"></div>
-
-	==See Also==
-	*[[Dual specificity protein kinase\|Dual specificity protein kinase]]
	== References ==		== References ==
	<references/>		<references/>
Line 28:		Line 26:
	</StructureSection>		</StructureSection>
	[[Category: Dual-specificity kinase]]		[[Category: Dual-specificity kinase]]
		+	[[Category: Human]]
	[[Category: Ando, S]]		[[Category: Ando, S]]
	[[Category: Daigo, Y]]		[[Category: Daigo, Y]]

OCA at 18:55, 10 December 2016

OCA — Sat, 10 Dec 2016 18:55:50 GMT

←Older revision		Revision as of 18:55, 10 December 2016
Line 1:		Line 1:
		+
	==CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 4-(6-(cyclohexylamino)-8-(((tetrahydro-2H-pyran-4-yl)methyl)amino)imidazo[1,2-b]pyridazin-3-yl)-N-cyclopropylbenzamide==		==CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 4-(6-(cyclohexylamino)-8-(((tetrahydro-2H-pyran-4-yl)methyl)amino)imidazo[1,2-b]pyridazin-3-yl)-N-cyclopropylbenzamide==
	<StructureSection load='3wzj' size='340' side='right' caption='[[3wzj]], [[Resolution\|resolution]] 2.75Å' scene=''>		<StructureSection load='3wzj' size='340' side='right' caption='[[3wzj]], [[Resolution\|resolution]] 2.75Å' scene=''>
Line 6:		Line 7:
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3wzk\|3wzk]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3wzk\|3wzk]]</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Dual-specificity_kinase Dual-specificity kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.12.1 2.7.12.1] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Dual-specificity_kinase Dual-specificity kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.12.1 2.7.12.1] </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=3wzj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wzj OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3wzj RCSB], [http://www.ebi.ac.uk/pdbsum/3wzj 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=3wzj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wzj OCA], [http://pdbe.org/3wzj PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3wzj RCSB], [http://www.ebi.ac.uk/pdbsum/3wzj PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3wzj 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 3wzj" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Dual specificity protein kinase\|Dual specificity protein kinase]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 11:47, 12 February 2015

OCA — Thu, 12 Feb 2015 11:47:33 GMT

←Older revision		Revision as of 11:47, 12 February 2015
Line 1:		Line 1:
-	'''~~Unreleased~~ structure'''	+	==CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 4-(6-(cyclohexylamino)-8-(((tetrahydro-2H-pyran-4-yl)methyl)amino)imidazo[1,2-b]pyridazin-3-yl)-N-cyclopropylbenzamide==
		+	<StructureSection load='3wzj' size='340' side='right' caption='[[3wzj]], [[Resolution\|resolution]] 2.75Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[3wzj]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3WZJ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3WZJ FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=O43:4-{6-(CYCLOHEXYLAMINO)-8-[(TETRAHYDRO-2H-PYRAN-4-YLMETHYL)AMINO]IMIDAZO[1,2-B]PYRIDAZIN-3-YL}-N-CYCLOPROPYLBENZAMIDE'>O43</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3wzk\|3wzk]]</td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Dual-specificity_kinase Dual-specificity kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.12.1 2.7.12.1] </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=3wzj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wzj OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3wzj RCSB], [http://www.ebi.ac.uk/pdbsum/3wzj PDBsum]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/TTK_HUMAN TTK_HUMAN]] Phosphorylates proteins on serine, threonine, and tyrosine. Probably associated with cell proliferation. Essential for chromosome alignment by enhancing AURKB activity (via direct CDCA8 phosphorylation) at the centromere, and for the mitotic checkpoint.<ref>PMID:18243099</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Monopolar spindle 1 (Mps1) is an attractive oncology target due to its high expression level in cancer cells as well as the correlation of its expression levels with histological grades of cancers. An imidazo[1,2-a]pyrazine 10a was identified during an HTS campaign. Although 10a exhibited good biochemical activity, its moderate cellular as well as antiproliferative activities needed to be improved. The cocrystal structure of an analogue of 10a guided our lead optimization to introduce substituents at the 6-position of the scaffold, giving the 6-aryl substituted 21b which had improved cellular activity but no oral bioavailability in rat. Property-based optimization at the 6-position and a scaffold change led to the discovery of the imidazo[1,2-b]pyridazine-based 27f, an extremely potent (cellular Mps1 IC50 = 0.70 nM, A549 IC50 = 6.0 nM), selective Mps1 inhibitor over 192 kinases, which could be orally administered and was active in vivo. This 27f demonstrated remarkable antiproliferative activity in the nanomolar range against various tissue cancer cell lines.

-	~~The entry 3wzj is ON HOLD until Paper Publication~~	+	Discovery of Imidazo[1,2-b]pyridazine Derivatives: Selective and Orally Available Mps1 (TTK) Kinase Inhibitors Exhibiting Remarkable Antiproliferative Activity.,Kusakabe KI, Ide N, Daigo Y, Itoh T, Yamamoto T, Hashizume H, Nozu K, Yoshida H, Tadano G, Tagashira S, Higashino K, Okano Y, Sato Y, Inoue M, Iguchi M, Kanazawa T, Ishioka Y, Dohi K, Kido Y, Sakamoto S, Ando S, Maeda M, Higaki M, Baba Y, Nakamura Y J Med Chem. 2015 Feb 10. PMID:25625617<ref>PMID:25625617</ref>

-	~~Authors: Kusakabe~~, K.~~, Ide, N~~., Daigo, Y., ~~Itoh, T., Yamamoto, T., Kojima, E., Mitsuoka, Y., Tadano, G., Tagashira, S.~~, Higashino, K., ~~Okano, Y., Sato, Y.~~, Inoue, M~~., Iguchi, M., Kanazawa, T.,~~ Ishioka, Y~~., Dohi, K., Kido, Y., Sakamoto, S., Ando, S., Maeda, M., Higaki, M., Yoshizawa, H., Mura, H., Nakamura, Y.~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~Description~~: ~~CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 4-(6-(cyclohexylamino)-8-(((tetrahydro-2H-pyran-4-yl)methyl)amino)imidazo[1~~,~~2-b~~]~~pyridazin-3-yl)-N-cyclopropylbenzamide~~	+	== References ==
-	[[Category: ~~Unreleased Structures~~]]	+	<references/>
-	[[Category: ~~Yamamoto~~, T]]	+	__TOC__
		+	</StructureSection>
		+	[[Category: Dual-specificity kinase]]
		+	[[Category: Ando, S]]
		+	[[Category: Daigo, Y]]
		+	[[Category: Dohi, K]]
		+	[[Category: Higaki, M]]
		+	[[Category: Higashino, K]]
		+	[[Category: Ide, N]]
		+	[[Category: Iguchi, M]]
		+	[[Category: Inoue, M]]
		+	[[Category: Ishioka, Y]]
		+	[[Category: Itoh, T]]
		+	[[Category: Kanazawa, T]]
		+	[[Category: Kido, Y]]
	[[Category: Kojima, E]]		[[Category: Kojima, E]]
-	[[Category: ~~Kanazawa~~, ~~T]]~~	+	[[Category: Kusakabe, K]]
-	~~[[Category: Sato, Y]]~~	+
-	~~[[Category: Daigo, Y~~]]	+
	[[Category: Maeda, M]]		[[Category: Maeda, M]]
-	[[Category: Tagashira, S]]
-	[[Category: Sakamoto, S]]
-	[[Category: Yoshizawa, H]]
-	[[Category: Ando, S]]
-	[[Category: Nakamura, Y]]
	[[Category: Mitsuoka, Y]]		[[Category: Mitsuoka, Y]]
-	[[Category: Itoh, T]]
-	[[Category: Higashino, K]]
-	[[Category: Kusakabe, K]]
-	[[Category: Tadano, G]]
	[[Category: Mura, H]]		[[Category: Mura, H]]
-	[[Category: ~~Iguchi, M]]~~	+	[[Category: Nakamura, Y]]
-	~~[[Category: Ide, N]]~~	+
-	~~[[Category: Dohi, K]]~~	+
-	~~[[Category: Ishioka~~, Y]]	+
	[[Category: Okano, Y]]		[[Category: Okano, Y]]
-	[[Category: ~~Higaki~~, M]]	+	[[Category: Sakamoto, S]]
-	[[Category: ~~Inoue~~, M]]	+	[[Category: Sato, Y]]
-	[[Category: ~~Kido~~, Y]]	+	[[Category: Tadano, G]]
		+	[[Category: Tagashira, S]]
		+	[[Category: Yamamoto, T]]
		+	[[Category: Yoshizawa, H]]
		+	[[Category: Atp binding]]
		+	[[Category: Phosphorylation]]
		+	[[Category: Transferase]]

OCA at 13:09, 24 December 2014

OCA — Wed, 24 Dec 2014 13:09:12 GMT

←Older revision		Revision as of 13:09, 24 December 2014
Line 6:		Line 6:

	Description: CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 4-(6-(cyclohexylamino)-8-(((tetrahydro-2H-pyran-4-yl)methyl)amino)imidazo[1,2-b]pyridazin-3-yl)-N-cyclopropylbenzamide		Description: CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 4-(6-(cyclohexylamino)-8-(((tetrahydro-2H-pyran-4-yl)methyl)amino)imidazo[1,2-b]pyridazin-3-yl)-N-cyclopropylbenzamide
		+	[[Category: Unreleased Structures]]
		+	[[Category: Yamamoto, T]]
		+	[[Category: Kojima, E]]
		+	[[Category: Kanazawa, T]]
		+	[[Category: Sato, Y]]
		+	[[Category: Daigo, Y]]
		+	[[Category: Maeda, M]]
		+	[[Category: Tagashira, S]]
		+	[[Category: Sakamoto, S]]
		+	[[Category: Yoshizawa, H]]
		+	[[Category: Ando, S]]
		+	[[Category: Nakamura, Y]]
		+	[[Category: Mitsuoka, Y]]
		+	[[Category: Itoh, T]]
		+	[[Category: Higashino, K]]
		+	[[Category: Kusakabe, K]]
		+	[[Category: Tadano, G]]
		+	[[Category: Mura, H]]
		+	[[Category: Iguchi, M]]
		+	[[Category: Ide, N]]
		+	[[Category: Dohi, K]]
		+	[[Category: Ishioka, Y]]
		+	[[Category: Okano, Y]]
		+	[[Category: Higaki, M]]
		+	[[Category: Inoue, M]]
		+	[[Category: Kido, Y]]

OCA at 07:58, 3 December 2014

OCA — Wed, 03 Dec 2014 07:58:44 GMT

←Older revision		Revision as of 07:58, 3 December 2014
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 3wzj is ON HOLD	+	The entry 3wzj is ON HOLD until Paper Publication

	Authors: Kusakabe, K., Ide, N., Daigo, Y., Itoh, T., Yamamoto, T., Kojima, E., Mitsuoka, Y., Tadano, G., Tagashira, S., Higashino, K., Okano, Y., Sato, Y., Inoue, M., Iguchi, M., Kanazawa, T., Ishioka, Y., Dohi, K., Kido, Y., Sakamoto, S., Ando, S., Maeda, M., Higaki, M., Yoshizawa, H., Mura, H., Nakamura, Y.		Authors: Kusakabe, K., Ide, N., Daigo, Y., Itoh, T., Yamamoto, T., Kojima, E., Mitsuoka, Y., Tadano, G., Tagashira, S., Higashino, K., Okano, Y., Sato, Y., Inoue, M., Iguchi, M., Kanazawa, T., Ishioka, Y., Dohi, K., Kido, Y., Sakamoto, S., Ando, S., Maeda, M., Higaki, M., Yoshizawa, H., Mura, H., Nakamura, Y.

	Description: CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 4-(6-(cyclohexylamino)-8-(((tetrahydro-2H-pyran-4-yl)methyl)amino)imidazo[1,2-b]pyridazin-3-yl)-N-cyclopropylbenzamide		Description: CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 4-(6-(cyclohexylamino)-8-(((tetrahydro-2H-pyran-4-yl)methyl)amino)imidazo[1,2-b]pyridazin-3-yl)-N-cyclopropylbenzamide

OCA: Protected "3wzj" [edit=sysop:move=sysop]

OCA — Wed, 08 Oct 2014 06:04:37 GMT

Protected "3wzj" [edit=sysop:move=sysop]

←Older revision

Revision as of 06:04, 8 October 2014