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PDB: 1402 件
1O2U
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Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors
分子名称: 2-(3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-5-BROMO-4-OXIDOPHENYL)SUCCINATE, BETA-TRYPSIN, CALCIUM ION
著者Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W.D, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, V.W, Hui, H.C, Breitenbucher, J.G, Allen, D, Janc, J.W.
登録日2003-03-06
公開日2003-09-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease inhibitors.
J.Mol.Biol., 329, 2003
1O32
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BU of 1o32 by Molmil
Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors
分子名称: 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}PYRIDIN-3-OLATE, BETA-TRYPSIN, CALCIUM ION
著者Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W.D, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, V.W, Hui, H.C, Breitenbucher, J.G, Allen, D, Janc, J.W.
登録日2003-03-06
公開日2003-09-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease inhibitors.
J.Mol.Biol., 329, 2003
1O38
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Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors
分子名称: 5-(2-AMINOETHYL)-3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-2-OLATE, BETA-TRYPSIN, CALCIUM ION, ...
著者Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W.D, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, V.W, Hui, H.C, Breitenbucher, J.G, Allen, D, Janc, J.W.
登録日2003-03-06
公開日2003-09-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease inhibitors.
J.Mol.Biol., 329, 2003
1O3G
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BU of 1o3g by Molmil
Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors
分子名称: 3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-1,1'-BIPHENYL-2-OLATE, BETA-TRYPSIN, CALCIUM ION, ...
著者Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W.D, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, V.W, Hui, H.C, Breitenbucher, J.G, Allen, D, Janc, J.W.
登録日2003-03-06
公開日2003-09-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease inhibitors.
J.Mol.Biol., 329, 2003
1O3M
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BU of 1o3m by Molmil
Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors
分子名称: 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-4-(TRIFLUOROMETHOXY)BENZENOLATE, BETA-TRYPSIN, CALCIUM ION, ...
著者Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W.D, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, V.W, Hui, H.C, Breitenbucher, J.G, Allen, D, Janc, J.W.
登録日2003-03-06
公開日2003-09-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease inhibitors.
J.Mol.Biol., 329, 2003
2ANY
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BU of 2any by Molmil
Expression, Crystallization and the Three-dimensional Structure of the Catalytic Domain of Human Plasma Kallikrein: Implications for Structure-Based Design of Protease Inhibitors
分子名称: BENZAMIDINE, PHOSPHATE ION, plasma kallikrein, ...
著者Tang, J, Yu, C.L, Williams, S.R, Springman, E, Jeffery, D, Sprengeler, P.A, Estevez, A, Sampang, J, Shrader, W, Spencer, J.R, Young, W.B, McGrath, M.E, Katz, B.A.
登録日2005-08-11
公開日2005-10-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Expression, crystallization, and three-dimensional structure of the catalytic domain of human plasma kallikrein.
J.Biol.Chem., 280, 2005
1P57
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BU of 1p57 by Molmil
Extracellular domain of human hepsin
分子名称: 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}BENZENOLATE, Serine protease hepsin
著者Somoza, J.R, Ho, J.D, Luong, C, Sprengeler, P.A, Mortara, K, Shrader, W.D, Sperandio, D, Chan, H, McGrath, M.E, Katz, B.A.
登録日2003-04-25
公開日2004-01-20
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The Structure of the Extracellular Region of Human Hepsin Reveals a Serine Protease Domain and a Novel Scavenger Receptor Cysteine-Rich (SRCR) Domain
Structure, 11, 2003
1O5F
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BU of 1o5f by Molmil
Dissecting and Designing Inhibitor Selectivity Determinants at the S1 site Using an Artificial Ala190 Protease (Ala190 uPA)
分子名称: 2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE, Serine protease hepsin
著者Katz, B.A, Luong, C, Ho, J.D, Somoza, J.R, Gjerstad, E, Tang, J, Williams, S.R, Verner, E, Mackman, R.L, Young, W.B, Sprengeler, P.A, Chan, H, Mortara, K, Janc, J.W, McGrath, M.E.
登録日2003-09-09
公開日2004-09-21
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Dissecting and designing inhibitor selectivity determinants at the S1 site using an artificial Ala190 protease (Ala190 uPA).
J.Mol.Biol., 344, 2004
1O2L
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BU of 1o2l by Molmil
Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors
分子名称: 3-{5-[AMINO(IMINIO)METHYL]-6-CHLORO-1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-2-OLATE, BETA-TRYPSIN, CALCIUM ION
著者Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, W.F, Hui, H, Breitenbucher, G, Allen, D, Janc, J.
登録日2003-03-06
公開日2003-05-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors
J.Mol.Biol., 329, 2003
1GJB
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BU of 1gjb by Molmil
ENGINEERING INHIBITORS HIGHLY SELECTIVE FOR THE S1 SITES OF SER190 TRYPSIN-LIKE SERINE PROTEASE DRUG TARGETS
分子名称: 2-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, CITRIC ACID, UROKINASE-TYPE PLASMINOGEN ACTIVATOR
著者Katz, B.A, Sprengeler, P.A, Luong, C, Verner, E, Spencer, J.R, Breitenbucher, J.G, Hui, H, McGee, D, Allen, D, Martelli, A, Mackman, R.L.
登録日2001-04-27
公開日2002-04-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Engineering inhibitors highly selective for the S1 sites of Ser190 trypsin-like serine protease drug targets.
Chem.Biol., 8, 2001
2F9B
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BU of 2f9b by Molmil
Discovery of Novel Heterocyclic Factor VIIa Inhibitors
分子名称: Coagulation factor VII, Tissue factor, {5-(5-AMINO-1H-PYRROLO[3,2-B]PYRIDIN-2-YL)-6-HYDROXY-3'-NITRO-BIPHENYL-3-YL]-ACETIC ACID
著者Rai, R, Kolesnikov, A, Sprengeler, P.A, Torkelson, S, Ton, T, Katz, B.A, Yu, C, Hendrix, J, Shrader, W.D, Stephens, R, Cabuslay, R, Sanford, E, Young, W.B.
登録日2005-12-05
公開日2006-02-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Discovery of novel heterocyclic factor VIIa inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
1QYC
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BU of 1qyc by Molmil
Crystal structures of pinoresinol-lariciresinol and phenylcoumaran benzylic ether reductases, and their relationship to isoflavone reductases
分子名称: phenylcoumaran benzylic ether reductase PT1
著者Min, T, Kasahara, H, Bedgar, D.L, Youn, B, Lawrence, P.K, Gang, D.R, Halls, S.C, Park, H, Hilsenbeck, J.L, Davin, L.B, Kang, C.
登録日2003-09-10
公開日2003-11-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of pinoresinol-lariciresinol and phenylcoumaran benzylic ether reductases and their relationship to isoflavone reductases.
J.Biol.Chem., 278, 2003
2C27
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BU of 2c27 by Molmil
The Structure of Mycothiol Synthase in Complex with des- AcetylMycothiol and CoenzymeA.
分子名称: (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl 2-(L-cysteinylamino)-2-deoxy-alpha-D-glucopyranoside, ACETYL COENZYME *A, COENZYME A, ...
著者Vetting, M.W, Yu, M, Rendle, P.M, Blanchard, J.S.
登録日2005-09-26
公開日2005-12-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Substrate-Induced Conformational Change of Mycobacterium Tuberculosis Mycothiol Synthase.
J.Biol.Chem., 281, 2006
5S8G
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BU of 5s8g by Molmil
XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with N00804d (space group C2)
分子名称: 1,3-benzothiazole-6-carboxylic acid, PH-interacting protein
著者Krojer, T, Talon, R, Fairhead, M, Szykowska, A, Burgess-Brown, N.A, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F.
登録日2020-12-17
公開日2021-01-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献XChem group deposition
To Be Published
5S8M
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BU of 5s8m by Molmil
XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with N11511a (space group C2)
分子名称: 1-BENZYL-1H-IMIDAZOLE, PH-interacting protein
著者Krojer, T, Talon, R, Fairhead, M, Szykowska, A, Burgess-Brown, N.A, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F.
登録日2020-12-17
公開日2021-01-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献XChem group deposition
To Be Published
5S8K
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BU of 5s8k by Molmil
XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with N01225c (space group C2)
分子名称: 3,4-dimethyl-1,2-oxazol-5-amine, PH-interacting protein
著者Krojer, T, Talon, R, Fairhead, M, Szykowska, A, Burgess-Brown, N.A, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F.
登録日2020-12-17
公開日2021-01-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献XChem group deposition
To Be Published
5S8J
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BU of 5s8j by Molmil
XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with N01207d (space group C2)
分子名称: 5-chloro-N,1-dimethyl-1H-pyrazole-4-carboxamide, PH-interacting protein
著者Krojer, T, Talon, R, Fairhead, M, Szykowska, A, Burgess-Brown, N.A, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F.
登録日2020-12-17
公開日2021-01-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献XChem group deposition
To Be Published
5S8C
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BU of 5s8c by Molmil
XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with N00322e (space group C2)
分子名称: (1-methylbenzotriazol-5-yl)methanol, PH-interacting protein
著者Krojer, T, Talon, R, Fairhead, M, Szykowska, A, Burgess-Brown, N.A, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F.
登録日2020-12-17
公開日2021-01-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献XChem group deposition
To Be Published
5S8L
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BU of 5s8l by Molmil
XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with E11289c (space group C2)
分子名称: 1-METHYLQUINOLIN-2(1H)-ONE, PH-interacting protein
著者Krojer, T, Talon, R, Fairhead, M, Szykowska, A, Burgess-Brown, N.A, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F.
登録日2020-12-17
公開日2021-01-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献XChem group deposition
To Be Published
5S8F
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BU of 5s8f by Molmil
XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with N00572d (space group C2)
分子名称: PH-interacting protein, ~{N}-(5-oxidanylidene-7,8-dihydro-6~{H}-naphthalen-2-yl)ethanamide
著者Krojer, T, Talon, R, Fairhead, M, Szykowska, A, Burgess-Brown, N.A, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F.
登録日2020-12-17
公開日2021-01-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献XChem group deposition
To Be Published
5S8H
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BU of 5s8h by Molmil
XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with N00964e (space group C2)
分子名称: 3-methylpyridin-2-ol, PH-interacting protein
著者Krojer, T, Talon, R, Fairhead, M, Szykowska, A, Burgess-Brown, N.A, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F.
登録日2020-12-17
公開日2021-01-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献XChem group deposition
To Be Published
5S8D
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BU of 5s8d by Molmil
XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with N00539e (space group C2)
分子名称: PH-interacting protein, methyl quinoline-6-carboxylate
著者Krojer, T, Talon, R, Fairhead, M, Szykowska, A, Burgess-Brown, N.A, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F.
登録日2020-12-17
公開日2021-01-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献XChem group deposition
To Be Published
5S8I
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XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with N01186d (space group C2)
分子名称: N-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide, PH-interacting protein
著者Krojer, T, Talon, R, Fairhead, M, Szykowska, A, Burgess-Brown, N.A, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F.
登録日2020-12-17
公開日2021-01-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献XChem group deposition
To Be Published
5S8E
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XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with N00531b (space group C2)
分子名称: 2,3-dihydro-1,4-benzodioxine-5-carboxamide, PH-interacting protein
著者Krojer, T, Talon, R, Fairhead, M, Szykowska, A, Burgess-Brown, N.A, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F.
登録日2020-12-17
公開日2021-01-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献XChem group deposition
To Be Published
5S8N
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XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with E07179c (space group C2)
分子名称: 3-methyl-3,4-dihydroquinazolin-2(1H)-one, PH-interacting protein
著者Krojer, T, Talon, R, Fairhead, M, Szykowska, A, Burgess-Brown, N.A, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F.
登録日2020-12-17
公開日2021-01-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献XChem group deposition
To Be Published

224201

件を2024-08-28に公開中

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