2F9B
 
 | | 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
|
|
2B7D
 | | Factor VIIa Inhibitors: Chemical Optimization, Preclinical Pharmacokinetics, Pharmacodynamics, and Efficacy in a Baboon Thrombosis Model | | 分子名称: | (2R)-2-[5-(5-CARBAMIMIDOYL-1H-BENZOIMIDAZOL-2-YL)-6,2'-DIHYDROXY-5'-UREIDOMETHYL-BIPHENYL-3-YL]-SUCCINIC ACID, Coagulation factor VII, Tissue factor | | 著者 | Young, W.B, Mordenti, J, Torkelson, S, Shrader, W.D, Kolesnikov, A, Rai, R, Liu, L, Hu, H, Leahy, E.M, Green, M.J, Sprengeler, P.A, Katz, B.A, Yu, C, Janc, J.W, Elrod, K.C, Marzec, U.M, Hanson, S.R. | | 登録日 | 2005-10-04 | | 公開日 | 2006-02-14 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | | 主引用文献 | Factor VIIa inhibitors: Chemical optimization, preclinical pharmacokinetics, pharmacodynamics, and efficacy in an arterial baboon thrombosis model.
Bioorg.Med.Chem.Lett., 16, 2006
|
|
3K6G
 | | Crystal structure of Rap1 and TRF2 complex | | 分子名称: | Telomeric repeat-binding factor 2, Telomeric repeat-binding factor 2-interacting protein 1 | | 著者 | Chen, Y, Rai, R, Yang, Y.T, Zheng, H, Chang, S, Lei, M. | | 登録日 | 2009-10-08 | | 公開日 | 2010-10-13 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | A conserved motif within RAP1 has diversified roles in telomere protection and regulation in different organisms.
Nat.Struct.Mol.Biol., 18, 2011
|
|
1GHV
 | | A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE | | 分子名称: | 2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, ACETYL HIRUDIN, SODIUM ION, ... | | 著者 | Katz, B.A, Elrod, K, Luong, C, Rice, M, Mackman, R.L, Sprengeler, P.A, Spencer, J, Hatayte, J, Janc, J, Link, J, Litvak, J, Rai, R, Rice, K, Sideris, S, Verner, E, Young, W. | | 登録日 | 2001-01-22 | | 公開日 | 2002-01-22 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site.
J.Mol.Biol., 307, 2001
|
|
1GI9
 | | A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE | | 分子名称: | 2-(2-HYDROXY-5-METHOXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, CITRIC ACID, UROKINASE-TYPE PLASMINOGEN ACTIVATOR | | 著者 | Katz, B.A, Elrod, K, Luong, C, Rice, M, Mackman, R.L, Sprengeler, P.A, Spencer, J, Hatayte, J, Janc, J, Link, J, Litvak, J, Rai, R, Rice, K, Sideris, S, Verner, E, Young, W. | | 登録日 | 2001-01-22 | | 公開日 | 2002-01-22 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site.
J.Mol.Biol., 307, 2001
|
|
1GI2
 | | A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE | | 分子名称: | 2-(2-HYDROXY-PHENYL)-3H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, BETA-TRYPSIN, CALCIUM ION, ... | | 著者 | Katz, B.A, Elrod, K, Luong, C, Rice, M, Mackman, R.L, Sprengeler, P.A, Spencer, J, Hatayte, J, Janc, J, Link, J, Litvak, J, Rai, R, Rice, K, Sideris, S, Verner, E, Young, W. | | 登録日 | 2001-01-22 | | 公開日 | 2002-01-22 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site.
J.Mol.Biol., 307, 2001
|
|
1GI1
 | | A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE | | 分子名称: | 2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, BETA-TRYPSIN, CALCIUM ION, ... | | 著者 | Katz, B.A, Elrod, K, Luong, C, Rice, M, Mackman, R.L, Sprengeler, P.A, Spencer, J, Hatayte, J, Janc, J, Link, J, Litvak, J, Rai, R, Rice, K, Sideris, S, Verner, E, Young, W. | | 登録日 | 2001-01-22 | | 公開日 | 2002-01-22 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site.
J.Mol.Biol., 307, 2001
|
|
1GI6
 | | A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE | | 分子名称: | 2-(2-HYDROXY-PHENYL)-1H-INDOLE-5-CARBOXAMIDINE, BETA-TRYPSIN, CALCIUM ION, ... | | 著者 | Katz, B.A, Elrod, K, Luong, C, Rice, M, Mackman, R.L, Sprengeler, P.A, Spencer, J, Hatayte, J, Janc, J, Link, J, Litvak, J, Rai, R, Rice, K, Sideris, S, Verner, E, Young, W. | | 登録日 | 2001-01-22 | | 公開日 | 2002-01-22 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site.
J.Mol.Biol., 307, 2001
|
|
1GI0
 | | A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE | | 分子名称: | 2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, BETA-TRYPSIN, CALCIUM ION, ... | | 著者 | Katz, B.A, Elrod, K, Luong, C, Rice, M, Mackman, R.L, Sprengeler, P.A, Spencer, J, Hatayte, J, Janc, J, Link, J, Litvak, J, Rai, R, Rice, K, Sideris, S, Verner, E, Young, W. | | 登録日 | 2001-01-22 | | 公開日 | 2002-01-22 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site.
J.Mol.Biol., 307, 2001
|
|
1GHZ
 | | A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE | | 分子名称: | 2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, BETA-TRYPSIN, CALCIUM ION, ... | | 著者 | Katz, B.A, Elrod, K, Luong, C, Rice, M, Mackman, R.L, Sprengeler, P.A, Spencer, J, Hatayte, J, Janc, J, Link, J, Litvak, J, Rai, R, Rice, K, Sideris, S, Verner, E, Young, W. | | 登録日 | 2001-01-22 | | 公開日 | 2002-01-22 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | | 主引用文献 | A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site.
J.Mol.Biol., 307, 2001
|
|
1GI5
 | | A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE | | 分子名称: | 2-(2-HYDROXY-5-METHOXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, BETA-TRYPSIN, CALCIUM ION, ... | | 著者 | Katz, B.A, Elrod, K, Luong, C, Rice, M, Mackman, R.L, Sprengeler, P.A, Spencer, J, Hatayte, J, Janc, J, Link, J, Litvak, J, Rai, R, Rice, K, Sideris, S, Verner, E, Young, W. | | 登録日 | 2001-01-22 | | 公開日 | 2002-01-22 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site.
J.Mol.Biol., 307, 2001
|
|
1GHX
 | | A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE | | 分子名称: | 2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, ACETYL HIRUDIN, CALCIUM ION, ... | | 著者 | Katz, B.A, Elrod, K, Luong, C, Rice, M, Mackman, R.L, Sprengeler, P.A, Spencer, J, Hatayte, J, Janc, J, Link, J, Litvak, J, Rai, R, Rice, K, Sideris, S, Verner, E, Young, W. | | 登録日 | 2001-01-22 | | 公開日 | 2002-01-22 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site.
J.Mol.Biol., 307, 2001
|
|
1GI7
 | | A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE | | 分子名称: | 2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, CITRIC ACID, UROKINASE-TYPE PLASMINOGEN ACTIVATOR | | 著者 | Katz, B.A, Elrod, K, Luong, C, Rice, M, Mackman, R.L, Sprengeler, P.A, Spencer, J, Hatayte, J, Janc, J, Link, J, Litvak, J, Rai, R, Rice, K, Sideris, S, Verner, E, Young, W. | | 登録日 | 2001-01-22 | | 公開日 | 2002-01-22 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site.
J.Mol.Biol., 307, 2001
|
|
1GI4
 | | A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE | | 分子名称: | 2-(2-HYDROXY-PHENYL)-3H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, BETA-TRYPSIN, CALCIUM ION, ... | | 著者 | Katz, B.A, Elrod, K, Luong, C, Rice, M, Mackman, R.L, Sprengeler, P.A, Spencer, J, Hatayte, J, Janc, J, Link, J, Litvak, J, Rai, R, Rice, K, Sideris, S, Verner, E, Young, W. | | 登録日 | 2001-01-22 | | 公開日 | 2002-01-22 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | | 主引用文献 | A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site.
J.Mol.Biol., 307, 2001
|
|
1GHY
 | | A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE | | 分子名称: | 2-(3-HYDROXY-PYRIDIN-2-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, ACETYL HIRUDIN, CALCIUM ION, ... | | 著者 | Katz, B.A, Elrod, K, Luong, C, Rice, M, Mackman, R.L, Sprengeler, P.A, Spencer, J, Hatayte, J, Janc, J, Link, J, Litvak, J, Rai, R, Rice, K, Sideris, S, Verner, E, Young, W. | | 登録日 | 2001-01-22 | | 公開日 | 2002-01-22 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site.
J.Mol.Biol., 307, 2001
|
|
1GHW
 | | A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE | | 分子名称: | 2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, ACETYL HIRUDIN, SODIUM ION, ... | | 著者 | Katz, B.A, Elrod, K, Luong, C, Rice, M, Mackman, R.L, Sprengeler, P.A, Spencer, J, Hatayte, J, Janc, J, Link, J, Litvak, J, Rai, R, Rice, K, Sideris, S, Verner, E, Young, W. | | 登録日 | 2001-01-22 | | 公開日 | 2002-01-22 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site
J.Mol.Biol., 307, 2001
|
|
1GI8
 | | A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE | | 分子名称: | 2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, CITRIC ACID, UROKINASE-TYPE PLASMINOGEN ACTIVATOR | | 著者 | Katz, B.A, Elrod, K, Luong, C, Rice, M, Mackman, R.L, Sprengeler, P.A, Spencer, J, Hatayte, J, Janc, J, Link, J, Litvak, J, Rai, R, Rice, K, Sideris, S, Verner, E, Young, W. | | 登録日 | 2001-01-22 | | 公開日 | 2002-01-22 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site.
J.Mol.Biol., 307, 2001
|
|
1GI3
 | | A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE | | 分子名称: | 2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, BETA-TRYPSIN, CALCIUM ION | | 著者 | Katz, B.A, Elrod, K, Luong, C, Rice, M, Mackman, R.L, Sprengeler, P.A, Spencer, J, Hatayte, J, Janc, J, Link, J, Litvak, J, Rai, R, Rice, K, Sideris, S, Verner, E, Young, W. | | 登録日 | 2001-01-22 | | 公開日 | 2002-01-22 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | | 主引用文献 | A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site.
J.Mol.Biol., 307, 2001
|
|
5WQD
 | |
4DQV
 | |
7C5D
 | |
3UDL
 | | 3-heterocyclyl quinolone bound to HCV NS5B | | 分子名称: | 3-(5-benzyl-1,2,4-oxadiazol-3-yl)-6-fluoro-1-[2-fluoro-4-(trifluoromethyl)benzyl]-7-(4-methylpiperazin-1-yl)quinolin-4(1H)-one, HCV NS5B polymerase | | 著者 | Somoza, J.R. | | 登録日 | 2011-10-28 | | 公開日 | 2011-12-21 | | 実験手法 | X-RAY DIFFRACTION (2.174 Å) | | 主引用文献 | Quinolones as HCV NS5B polymerase inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
|
|
5D29
 | | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a hydroxamate inhibitor JHU241 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(2~{S})-2-carboxy-5-(oxidanylamino)-5-oxidanylidene-pentyl]benzoic acid, ... | | 著者 | Barinka, C, Novakova, Z, Pavlicek, J. | | 登録日 | 2015-08-05 | | 公開日 | 2016-04-27 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Unprecedented Binding Mode of Hydroxamate-Based Inhibitors of Glutamate Carboxypeptidase II: Structural Characterization and Biological Activity.
J.Med.Chem., 59, 2016
|
|
4U5Q
 | | High resolution crystal structure of reductase (R) domain of nonribosomal peptide synthetase from Mycobacterium tuberculosis | | 分子名称: | 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, Peptide synthetase | | 著者 | Patel, K.D, Haque, A.S, Priyadarshan, K, Sankaranarayanan, R. | | 登録日 | 2014-07-25 | | 公開日 | 2016-01-13 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.811 Å) | | 主引用文献 | High resolution structure of R-domain of nonribosomal peptide synthetase from Mycobacterium tuberculosis
To Be Published
|
|
5ELY
 | | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a hydroxamate inhibitor JHU242 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(2~{R})-2-carboxy-5-(oxidanylamino)-5-oxidanylidene-pentyl]benzoic acid, ... | | 著者 | Barinka, C, Novakova, Z, Pavlicek, J. | | 登録日 | 2015-11-05 | | 公開日 | 2016-04-27 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Unprecedented Binding Mode of Hydroxamate-Based Inhibitors of Glutamate Carboxypeptidase II: Structural Characterization and Biological Activity.
J.Med.Chem., 59, 2016
|
|
