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1ADW
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PSEUDOAZURIN
Descriptor:PSEUDOAZURIN, COPPER (II) ION
Authors:Williams, P.A.
Deposit date:1997-02-18
Release date:1997-05-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Pseudospecific docking surfaces on electron transfer proteins as illustrated by pseudoazurin, cytochrome c550 and cytochrome cd1 nitrite reductase.
Nat.Struct.Biol., 2, 1995
1AOF
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CYTOCHROME CD1 NITRITE REDUCTASE, REDUCED FORM
Descriptor:NITRITE REDUCTASE, PROTOPORPHYRIN IX CONTAINING FE, HEME D, ...
Authors:Williams, P.A., Fulop, V.
Deposit date:1997-07-02
Release date:1997-10-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Haem-ligand switching during catalysis in crystals of a nitrogen-cycle enzyme.
Nature, 389, 1997
1AOM
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SUBSTRATE AND PRODUCT BOUND TO CYTOCHROME CD1 NITRITE REDUCTASE
Descriptor:NITRITE REDUCTASE, HEME D, NITROGEN DIOXIDE, ...
Authors:Williams, P.A., Fulop, V.
Deposit date:1997-07-08
Release date:1998-02-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Haem-ligand switching during catalysis in crystals of a nitrogen-cycle enzyme.
Nature, 389, 1997
1AOQ
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CYTOCHROME CD1 NITRITE REDUCTASE WITH SUBSTRATE AND PRODUCT BOUND
Descriptor:NITRITE REDUCTASE, PROTOPORPHYRIN IX CONTAINING FE, HEME D, ...
Authors:Williams, P.A., Fulop, V.
Deposit date:1997-07-09
Release date:1998-02-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Haem-ligand switching during catalysis in crystals of a nitrogen-cycle enzyme.
Nature, 389, 1997
1DT6
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STRUCTURE OF MAMMALIAN CYTOCHROME P450 2C5
Descriptor:CYTOCHROME P450 2C5, SAMARIUM (III) ION, SULFATE ION, ...
Authors:Williams, P.A., Cosme, J., Sridhar, V., Johnson, E.F., McRee, D.E.
Deposit date:2000-01-11
Release date:2000-09-27
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:Mammalian microsomal cytochrome P450 monooxygenase: structural adaptations for membrane binding and functional diversity.
Mol.Cell, 5, 2000
1OG2
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STRUCTURE OF HUMAN CYTOCHROME P450 CYP2C9
Descriptor:CYTOCHROME P450 2C9, HEME C
Authors:Williams, P.A., Cosme, J., Ward, A., Angove, H.C., Matak Vinkovic, D., Jhoti, H.
Deposit date:2003-04-23
Release date:2003-07-17
Last modified:2011-11-09
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of Human Cytochrome P450 2C9 with Bound Warfarin
Nature, 424, 2003
1OG5
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STRUCTURE OF HUMAN CYTOCHROME P450 CYP2C9
Descriptor:CYTOCHROME P450 2C9, HEME C, S-WARFARIN
Authors:Williams, P.A., Cosme, J., Ward, A., Angove, H.C., Matak Vinkovic, D., Jhoti, H.
Deposit date:2003-04-24
Release date:2003-07-17
Last modified:2011-11-09
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal Structure of Human Cytochrome P450 2C9 with Bound Warfarin
Nature, 424, 2003
1W0E
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CRYSTAL STRUCTURE OF HUMAN CYTOCHROME P450 3A4
Descriptor:CYTOCHROME P450 3A4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Williams, P.A., Cosme, J., Vinkovic, D.M., Ward, A., Angove, H.C., Day, P.J., Vonrhein, C., Tickle, I.J., Jhoti, H.
Deposit date:2004-06-03
Release date:2004-07-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structures of Human Cytochrome P450 3A4 Bound to Metyrapone and Progesterone
Science, 305, 2004
1W0F
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CRYSTAL STRUCTURE OF HUMAN CYTOCHROME P450 3A4
Descriptor:CYTOCHROME P450 3A4, PROGESTERONE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Williams, P.A., Cosme, J., Vinkovic, D.M., Ward, A., Angove, H.C., Day, P.J., Vonrhein, C., Tickle, I.J., Jhoti, H.
Deposit date:2004-06-03
Release date:2004-07-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal Structures of Human Cytochrome P450 3A4 Bound to Metyrapone and Progesterone
Science, 305, 2004
1W0G
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CRYSTAL STRUCTURE OF HUMAN CYTOCHROME P450 3A4
Descriptor:CYTOCHROME P450 3A4, METYRAPONE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Williams, P.A., Cosme, J., Vinkovic, D.M., Ward, A., Angove, H.C., Day, P.J., Vonrhein, C., Tickle, I.J., Jhoti, H.
Deposit date:2004-06-03
Release date:2004-07-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Crystal Structures of Human Cytochrome P450 3A4 Bound to Metyrapone and Progesterone
Science, 305, 2004
1W6S
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THE HIGH RESOLUTION STRUCTURE OF METHANOL DEHYDROGENASE FROM METHYLOBACTERIUM EXTORQUENS
Descriptor:METHANOL DEHYDROGENASE SUBUNIT 1, METHANOL DEHYDROGENASE SUBUNIT 2, PYRROLOQUINOLINE QUINONE, ...
Authors:Williams, P.A., Coates, L., Mohammed, F., Gill, R., Erskine, P.T., Wood, S.P., Anthony, C., Cooper, J.B.
Deposit date:2004-08-23
Release date:2004-12-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:The Atomic Resolution Structure of Methanol Dehydrogenase from Methylobacterium Extorquens
Acta Crystallogr.,Sect.D, 61, 2005
2C8S
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CYTOCHROME CL FROM METHYLOBACTERIUM EXTORQUENS
Descriptor:CYTOCHROME C-L, PROTOPORPHYRIN IX CONTAINING FE, CALCIUM ION
Authors:Williams, P.A., Coates, L., Mohammed, F., Gill, R., Erskine, P.T., Wood J, S.P., Cooper, B., Anthony, C.
Deposit date:2005-12-06
Release date:2005-12-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The 1.6A X-Ray Structure of the Unusual C-Type Cytochrome, Cytochrome Cl, from the Methylotrophic Bacterium Methylobacterium Extorquens.
J.Mol.Biol., 357, 2006
2CUA
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THE CUA DOMAIN OF CYTOCHROME BA3 FROM THERMUS THERMOPHILUS
Descriptor:PROTEIN (CUA), ZINC ION, DINUCLEAR COPPER ION
Authors:Williams, P.A., Blackburn, N.J., Sanders, D., Bellamy, H., Stura, E.A., Fee, J.A., Mcree, D.E.
Deposit date:1999-02-18
Release date:1999-05-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The CuA domain of Thermus thermophilus ba3-type cytochrome c oxidase at 1.6 A resolution.
Nat.Struct.Biol., 6, 1999
5M6E
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SMALL MOLECULE INHIBITORS OF IAP
Descriptor:E3 ubiquitin-protein ligase XIAP, ZINC ION, SODIUM ION, ...
Authors:Williams, P.A.
Deposit date:2016-10-25
Release date:2017-05-24
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Discovery of a Potent Nonpeptidomimetic, Small-Molecule Antagonist of Cellular Inhibitor of Apoptosis Protein 1 (cIAP1) and X-Linked Inhibitor of Apoptosis Protein (XIAP).
J. Med. Chem., 60, 2017
5M6F
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SMALL MOLECULE INHIBITORS OF IAP
Descriptor:E3 ubiquitin-protein ligase XIAP, ZINC ION, SODIUM ION, ...
Authors:Williams, P.A.
Deposit date:2016-10-25
Release date:2017-05-24
Last modified:2017-06-21
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Discovery of a Potent Nonpeptidomimetic, Small-Molecule Antagonist of Cellular Inhibitor of Apoptosis Protein 1 (cIAP1) and X-Linked Inhibitor of Apoptosis Protein (XIAP).
J. Med. Chem., 60, 2017
5M6H
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SMALL MOLECULE INHIBITORS OF IAP
Descriptor:E3 ubiquitin-protein ligase XIAP, ZINC ION, SODIUM ION, ...
Authors:Williams, P.A.
Deposit date:2016-10-25
Release date:2017-05-24
Last modified:2017-06-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of a Potent Nonpeptidomimetic, Small-Molecule Antagonist of Cellular Inhibitor of Apoptosis Protein 1 (cIAP1) and X-Linked Inhibitor of Apoptosis Protein (XIAP).
J. Med. Chem., 60, 2017
5M6L
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SMALL MOLECULE INHIBITORS OF IAP
Descriptor:E3 ubiquitin-protein ligase XIAP, ZINC ION, SODIUM ION, ...
Authors:Williams, P.A.
Deposit date:2016-10-25
Release date:2017-05-24
Last modified:2017-06-21
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Discovery of a Potent Nonpeptidomimetic, Small-Molecule Antagonist of Cellular Inhibitor of Apoptosis Protein 1 (cIAP1) and X-Linked Inhibitor of Apoptosis Protein (XIAP).
J. Med. Chem., 60, 2017
5M6M
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SMALL MOLECULE INHIBITORS OF IAP
Descriptor:E3 ubiquitin-protein ligase XIAP, ZINC ION, SODIUM ION, ...
Authors:Williams, P.A.
Deposit date:2016-10-25
Release date:2017-05-24
Last modified:2017-06-21
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Discovery of a Potent Nonpeptidomimetic, Small-Molecule Antagonist of Cellular Inhibitor of Apoptosis Protein 1 (cIAP1) and X-Linked Inhibitor of Apoptosis Protein (XIAP).
J. Med. Chem., 60, 2017
5M6N
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SMALL MOLECULE INHIBITORS OF IAP
Descriptor:Baculoviral IAP repeat-containing protein 2, ZINC ION, SULFATE ION, ...
Authors:Williams, P.A.
Deposit date:2016-10-25
Release date:2017-05-24
Last modified:2017-06-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of a Potent Nonpeptidomimetic, Small-Molecule Antagonist of Cellular Inhibitor of Apoptosis Protein 1 (cIAP1) and X-Linked Inhibitor of Apoptosis Protein (XIAP).
J. Med. Chem., 60, 2017
5OQW
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XIAP IN COMPLEX WITH SMALL MOLECULE
Descriptor:E3 ubiquitin-protein ligase XIAP, ZINC ION, SODIUM ION, ...
Authors:Williams, P.A.
Deposit date:2017-08-14
Release date:2018-06-27
Last modified:2018-07-11
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:ASTX660, a Novel Non-peptidomimetic Antagonist of cIAP1/2 and XIAP, Potently Induces TNF alpha-Dependent Apoptosis in Cancer Cell Lines and Inhibits Tumor Growth.
Mol. Cancer Ther., 17, 2018
6H6Q
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FRAGMENT DERIVED XIAP INHIBITOR
Descriptor:E3 ubiquitin-protein ligase XIAP, ZINC ION, 2-[(2~{R},5~{R})-2-[[(3~{R},5~{R})-3,5-dimethylmorpholin-4-yl]methyl]-5-methyl-piperazin-1-yl]-1-[6-[(~{S})-(4-fluorophenyl)-oxidanyl-methyl]-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]ethanone
Authors:Williams, P.A.
Deposit date:2018-07-30
Release date:2018-08-22
Last modified:2018-09-05
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:A Fragment-Derived Clinical Candidate for Antagonism of X-Linked and Cellular Inhibitor of Apoptosis Proteins: 1-(6-[(4-Fluorophenyl)methyl]-5-(hydroxymethyl)-3,3-dimethyl-1 H,2 H,3 H-pyrrolo[3,2- b]pyridin-1-yl)-2-[(2 R,5 R)-5-methyl-2-([(3R)-3-methylmorpholin-4-yl]methyl)piperazin-1-yl]ethan-1-one (ASTX660).
J. Med. Chem., 61, 2018
6H6R
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FRAGMENT DERIVED XIAP INHIBITOR
Descriptor:E3 ubiquitin-protein ligase XIAP, ZINC ION, SODIUM ION, ...
Authors:Williams, P.A.
Deposit date:2018-07-30
Release date:2018-08-22
Last modified:2018-09-05
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:A Fragment-Derived Clinical Candidate for Antagonism of X-Linked and Cellular Inhibitor of Apoptosis Proteins: 1-(6-[(4-Fluorophenyl)methyl]-5-(hydroxymethyl)-3,3-dimethyl-1 H,2 H,3 H-pyrrolo[3,2- b]pyridin-1-yl)-2-[(2 R,5 R)-5-methyl-2-([(3R)-3-methylmorpholin-4-yl]methyl)piperazin-1-yl]ethan-1-one (ASTX660).
J. Med. Chem., 61, 2018
5C0K
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FRAGMENT-BASED DRUG DISCOVERY TARGETING INHIBITOR OF APOPTOSIS PROTEINS: COMPOUND 3
Descriptor:E3 ubiquitin-protein ligase XIAP, ZINC ION, 1,2-ETHANEDIOL, ...
Authors:Chessari, G., Buck, I.M., Day, J.E.H., Day, P.J., Iqbal, A., Johnson, C.N., Lewis, E.J., Martins, V., Miller, D., Reader, M., Rees, D.C., Rich, S.J., Tamanini, E., Vitorino, M., Ward, G.A., Williams, P.A., Williams, G., Wilsher, N.E., Woolford, A.J.-A.
Deposit date:2015-06-12
Release date:2015-08-12
Last modified:2015-09-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP.
J.Med.Chem., 58, 2015
5C0L
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FRAGMENT-BASED DRUG DISCOVERY TARGETING INHIBITOR OF APOPTOSIS PROTEINS: COMPOUND 2
Descriptor:E3 ubiquitin-protein ligase XIAP, ZINC ION, 4-(4-bromo-1H-pyrazol-1-yl)piperidinium
Authors:Chessari, G., Buck, I.M., Day, J.E.H., Day, P.J., Iqbal, A., Johnson, C.N., Lewis, E.J., Martins, V., Miller, D., Reader, M., Rees, D.C., Rich, S.J., Tamanini, E., Vitorino, M., Ward, G.A., Williams, P.A., Williams, G., Wilsher, N.E., Woolford, A.J.-A.
Deposit date:2015-06-12
Release date:2015-08-12
Last modified:2015-09-09
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP.
J.Med.Chem., 58, 2015
5C3H
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FRAGMENT-BASED DRUG DISCOVERY TARGETING INHIBITOR OF APOPTOSIS PROTEINS: COMPOUND 1
Descriptor:E3 ubiquitin-protein ligase XIAP, ZINC ION, 4-[2-oxo-2-(piperidin-1-yl)ethyl]piperazin-1-ium
Authors:Chessari, G., Buck, I.M., Day, J.E.H., Day, P.J., Iqbal, A., Johnson, C.N., Lewis, E.J., Martins, V., Miller, D., Reader, M., Rees, D.C., Rich, S.J., Tamanini, E., Vitorino, M., Ward, G.A., Williams, P.A., Williams, G., Wilsher, N.E., Woolford, A.J.-A.
Deposit date:2015-06-17
Release date:2015-08-12
Last modified:2015-09-09
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP.
J.Med.Chem., 58, 2015