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PDB: 1402 件
5SC7
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CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with POB0120
分子名称: (2R)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one, 1,2-ETHANEDIOL, CD44 antigen, ...
著者Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O.
登録日2021-09-14
公開日2021-09-22
実験手法X-RAY DIFFRACTION (1.197 Å)
主引用文献CD44 PanDDA analysis group deposition
To Be Published
5S8O
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XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with N01460c (space group P212121)
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, N-(4-chloro-2-methylphenyl)acetamide, ...
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 (1.67 Å)
主引用文献XChem group deposition
To Be Published
2C52
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Structural diversity in CBP p160 complexes
分子名称: CREB-BINDING PROTEIN, NUCLEAR RECEPTOR COACTIVATOR 1
著者Waters, L.C, Yue, B, Veverka, V, Renshaw, P.S, Bramham, J, Matsuda, S, Frenkiel, T, Kelly, G, Muskett, F.W, Carr, M.D, Heery, D.M.
登録日2005-10-25
公開日2006-03-15
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural diversity in p160/CREB-binding protein coactivator complexes.
J. Biol. Chem., 281, 2006
3E64
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Fragment based discovery of JAK-2 inhibitors
分子名称: 4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide, Tyrosine-protein kinase JAK2
著者Antonysamy, S, Fang, W, Hirst, G, Park, F, Russell, M, Smyth, L, Sprengeler, P, Stappenbeck, F, Steensma, R, Thompson, D.A, Wilson, M, Wong, M, Zhang, A, Zhang, F.
登録日2008-08-14
公開日2008-10-14
最終更新日2012-02-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fragment-based discovery of JAK-2 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
5S8M
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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
5S8G
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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
5S8K
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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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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
1N0X
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Crystal Structure of a Broadly Neutralizing Anti-HIV-1 Antibody in Complex with a Peptide Mimotope
分子名称: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, B2.1 peptide, GLYCEROL, ...
著者Saphire, E.O, Montero, M, Menendez, A, Irving, M.B, Zwick, M.B, Parren, P.W.H.I, Burton, D.R, Scott, J.K, Wilson, I.A.
登録日2002-10-15
公開日2004-04-13
最終更新日2017-06-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of a Broadly Neutralizing Anti-HIV-1 Antibody in Complex with a Peptide Mimotope
To be Published
5S8C
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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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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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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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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
1LP1
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BU of 1lp1 by Molmil
Protein Z in complex with an in vitro selected affibody
分子名称: Affibody binding protein Z, Immunoglobulin G binding protein A, MAGNESIUM ION, ...
著者Hogbom, M, Eklund, M, Nygren, P.A, Nordlund, P.
登録日2002-05-07
公開日2003-03-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for recognition by an in vitro evolved affibody.
Proc.Natl.Acad.Sci.USA, 100, 2003
1NPA
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crystal structure of HIV-1 protease-hup
分子名称: (3S)-TETRAHYDROFURAN-3-YL (1R,2S)-3-[4-((1R)-2-{[(S)-AMINO(HYDROXY)METHYL]OXY}-2,3-DIHYDRO-1H-INDEN-1-YL)-2-BENZYL-3-OXOPYRROLIDIN-2-YL]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, POL polyprotein
著者Smith III, A.B, Hirschmann, R, Pasternak, A, Yao, W, Sprengeler, P.A, Holloway, M.K, Kuo, L.C, Chen, Z, Darke, P.L, Schleif, W.A.
登録日2003-01-17
公開日2004-01-27
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献An orally bioavailable pyrrolinone inhibitor of HIV-1 protease: computational analysis and X-ray crystal structure of the enzyme complex.
J.MED.CHEM., 40, 1997
1BUL
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BU of 1bul by Molmil
6ALPHA-(HYDROXYPROPYL)PENICILLANATE ACYLATED ON NMC-A BETA-LACTAMASE FROM ENTEROBACTER CLOACAE
分子名称: 2-(1-CARBOXY-2-HYDROXY-2-METHYL-PROPYL)-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, NMC-A BETA-LACTAMASE
著者Mourey, L, Swaren, P, Miyashita, K, Bulychev, A, Mobashery, S, Samama, J.P.
登録日1998-09-04
公開日1998-12-30
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Inhibition of the Nmc-A B-Lactamase by a Penicillanic Acid Derivative, and the Structural Bases for the Increase in Substrate Profile of This Antibiotic Resistance Enzyme
J.Am.Chem.Soc., 120, 1998
1CIS
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BU of 1cis by Molmil
CONTEXT DEPENDENCE OF PROTEIN SECONDARY STRUCTURE FORMATION. THE THREE-DIMENSIONAL STRUCTURE AND STABILITY OF A HYBRID BETWEEN CHYMOTRYPSIN INHIBITOR 2 AND HELIX E FROM SUBTILISIN CARLSBERG
分子名称: HYBRID PROTEIN FORMED FROM CHYMOTRYPSIN INHIBITOR-2
著者Osmark, P, Sorensen, P, Poulsen, F.M.
登録日1993-04-23
公開日1993-10-31
最終更新日2024-04-10
実験手法SOLUTION NMR
主引用文献Context dependence of protein secondary structure formation: the three-dimensional structure and stability of a hybrid between chymotrypsin inhibitor 2 and helix E from subtilisin Carlsberg.
Biochemistry, 32, 1993
2ANW
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Expression, crystallization and three-dimensional structure of the catalytic domain of human plasma kallikrein: Implications for structure-based design of protease inhibitors
分子名称: BENZAMIDINE, plasma kallikrein, light chain
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 (1.85 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
1O5E
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Dissecting and Designing Inhibitor Selectivity Determinants at the S1 site Using an Artificial Ala190 Protease (Ala190 uPA)
分子名称: 6-CHLORO-2-(2-HYDROXY-BIPHENYL-3-YL)-1H-INDOLE-5-CARBOXAMIDINE, 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 (1.75 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
1O2T
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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}-5-METHOXY-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 (1.62 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
1O30
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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-(5-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-2'-FLUORO-6-OXIDO-1,1'-BIPHENYL-3-YL)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 (1.55 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

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