6T54
 
 | | Thrombin in Complex with a D-Phe-Pro-2-bromothiophene Derivative | | 分子名称: | (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-bromanylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | 著者 | Ngo, K, Abazi, N, Heine, A, Klebe, G. | | 登録日 | 2019-10-15 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | | 主引用文献 | Thrombin in Complex with a D-Phe-Pro-2-bromothiophene Derivative
To Be Published
|
|
1DWB
 | |
1DWD
 | |
6T53
 | | Thrombin in Complex with a D-Phe-Pro-p-benzylamine derivative | | 分子名称: | (2~{S})-~{N}-[[4-(aminomethyl)phenyl]methyl]-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | 著者 | Ngo, K, Abazi, N, Heine, A, Klebe, G. | | 登録日 | 2019-10-15 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Thrombin in Complex with a D-Phe-Pro-p-benzylamine derivative
To Be Published
|
|
6T52
 | | Thrombin in Complex with a D-Phe-Pro-imidazole derivative | | 分子名称: | (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[2-(1~{H}-imidazol-4-yl)ethyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | 著者 | Ngo, K, Abazi, N, Heine, A, Klebe, G. | | 登録日 | 2019-10-15 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Thrombin in Complex with a D-Phe-Pro-imidazole derivative
To Be Published
|
|
6T8A
 | | Thrombin in complex with diphenyl ((4-carbamimidoylphenyl)((S)-1-((R)-3-cyclohexyl 2-((phenylmethyl)sulfonamido)propanoyl)pyrrolidine-2-carboxamido)methyl)phosphonate (MI-492) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Hirudin variant-2, ... | | 著者 | Ngaha, S.A, Sandner, A, Huber, S, Heine, A, Steinmetzer, T, Pilgram, O. | | 登録日 | 2019-10-24 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Thrombin in complex with diphenyl ((4-carbamimidoylphenyl)((S)-1-((R)-3-cyclohexyl-2-((phenylmethyl)sulfonamido)propanoyl)pyrrolidine-2-carboxamido)methyl)phosphonate (MI-492)
to be published
|
|
6TKG
 | | Tsetse thrombin inhibitor in complex with human alpha-thrombin - orthorhombic form at 12keV | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Prothrombin, ... | | 著者 | Calisto, B.M, Ripoll-Rozada, J, de Sanctis, D, Pereira, P.J.B. | | 登録日 | 2019-11-28 | | 公開日 | 2020-11-04 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Sulfotyrosine-Mediated Recognition of Human Thrombin by a Tsetse Fly Anticoagulant Mimics Physiological Substrates.
Cell Chem Biol, 28, 2021
|
|
6TKJ
 | | Tsetse thrombin inhibitor in complex with human alpha-thrombin - tetragonal form at 7keV | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Thrombin heavy chain, Thrombin light chain, ... | | 著者 | Calisto, B.M, Ripoll-Rozada, J, de Sanctis, D, Pereira, P.J.B. | | 登録日 | 2019-11-28 | | 公開日 | 2020-11-04 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | | 主引用文献 | Sulfotyrosine-Mediated Recognition of Human Thrombin by a Tsetse Fly Anticoagulant Mimics Physiological Substrates.
Cell Chem Biol, 28, 2021
|
|
1JWT
 | | CRYSTAL STRUCTURE OF THROMBIN IN COMPLEX WITH A NOVEL BICYCLIC LACTAM INHIBITOR | | 分子名称: | 4-OXO-2-PHENYLMETHANESULFONYL-OCTAHYDRO-PYRROLO[1,2-A]PYRAZINE-6-CARBOXYLIC ACID [1-(N-HYDROXYCARBAMIMIDOYL)-PIPERIDIN-4-YLMETHYL]-AMIDE, Prothrombin | | 著者 | Levesque, S, St-Denis, Y, Bachand, B, Preville, P, Leblond, L, Winocour, P.D, Edmunds, J.J, Rubin, J.R, Siddiqui, M.A. | | 登録日 | 2001-09-05 | | 公開日 | 2002-02-27 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Novel bicyclic lactam inhibitors of thrombin: potency and selectivity optimization through P1 residues.
Bioorg.Med.Chem.Lett., 11, 2001
|
|
1LHG
 | | HUMAN ALPHA-THROMBIN COMPLEXED WITH AC-(D)PHE-PRO-BOROORNITHINE-OH | | 分子名称: | AC-(D)PHE-PRO-BOROHOMOORNITHINE-OH, ALPHA-THROMBIN, HIRUDIN | | 著者 | Weber, P.C, Lee, S.L, Lewandowski, F.A, Schadt, M.C, Chang, C.H, Kettner, C.A. | | 登録日 | 1994-12-27 | | 公開日 | 1996-11-08 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Kinetic and crystallographic studies of thrombin with Ac-(D)Phe-Pro-boroArg-OH and its lysine, amidine, homolysine, and ornithine analogs.
Biochemistry, 34, 1995
|
|
1LHF
 | | HUMAN ALPHA-THROMBIN COMPLEXED WITH AC-(D)PHE-PRO-BORO-HOMOLYS-OH | | 分子名称: | AC-(D)PHE-PRO-BOROHOMOLYS-OH, ALPHA-THROMBIN, HIRUDIN | | 著者 | Weber, P.C, Lee, S.L, Lewandowski, F.A, Schadt, M.C, Chang, C.H, Kettner, C.A. | | 登録日 | 1994-12-27 | | 公開日 | 1996-11-08 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Kinetic and crystallographic studies of thrombin with Ac-(D)Phe-Pro-boroArg-OH and its lysine, amidine, homolysine, and ornithine analogs.
Biochemistry, 34, 1995
|
|
1LHC
 | | HUMAN ALPHA-THROMBIN COMPLEXED WITH AC-(D)PHE-PRO-BOROARG-OH | | 分子名称: | AC-(D)PHE-PRO-BOROARG-OH, ALPHA-THROMBIN, HIRUDIN | | 著者 | Weber, P.C, Lee, S.L, Lewandowski, F.A, Schadt, M.C, Chang, C.H, Kettner, C.A. | | 登録日 | 1994-12-27 | | 公開日 | 1996-11-08 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Kinetic and crystallographic studies of thrombin with Ac-(D)Phe-Pro-boroArg-OH and its lysine, amidine, homolysine, and ornithine analogs.
Biochemistry, 34, 1995
|
|
1LHE
 | | HUMAN ALPHA-THROMBIN COMPLEXED WITH AC-(D)PHE-PRO-BORO-N-BUTYL-AMIDINO-GLYCINE-OH | | 分子名称: | AC-(D)PHE-PRO-BORO-N-BUTYL-AMIDINO-GLYCINE-OH, ALPHA-THROMBIN, HIRUDIN | | 著者 | Weber, P.C, Lee, S.L, Lewandowski, F.A, Schadt, M.C, Chang, C.H, Kettner, C.A. | | 登録日 | 1994-12-27 | | 公開日 | 1996-11-08 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Kinetic and crystallographic studies of thrombin with Ac-(D)Phe-Pro-boroArg-OH and its lysine, amidine, homolysine, and ornithine analogs.
Biochemistry, 34, 1995
|
|
1LHD
 | | HUMAN ALPHA-THROMBIN COMPLEXED WITH AC-(D)PHE-PRO-BOROLYS-OH | | 分子名称: | AC-(D)PHE-PRO-BOROLYS-OH, ALPHA-THROMBIN, HIRUDIN | | 著者 | Weber, P.C, Lee, S.L, Lewandowski, F.A, Schadt, M.C, Chang, C.H, Kettner, C.A. | | 登録日 | 1994-12-27 | | 公開日 | 1996-11-08 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Kinetic and crystallographic studies of thrombin with Ac-(D)Phe-Pro-boroArg-OH and its lysine, amidine, homolysine, and ornithine analogs.
Biochemistry, 34, 1995
|
|
1KTS
 | | Thrombin Inhibitor Complex | | 分子名称: | 3-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO)-METHYL]-3-METHYL-3H-BENZOIMIDAZOLE-5-CARBONYL}-PYRIDIN-2-YL-AMINO)-PROPIONIC ACID ETHYL ESTER, hirudin IIB, thrombin | | 著者 | Nar, H. | | 登録日 | 2002-01-17 | | 公開日 | 2002-02-06 | | 最終更新日 | 2013-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structure-based design of novel potent nonpeptide thrombin inhibitors.
J.Med.Chem., 45, 2002
|
|
1KTT
 | | Thrombin inhibitor complex | | 分子名称: | 4-(5-BENZENESULFONYLAMINO-1-METHYL-1H-BENZOIMIDAZOL-2-YLMETHYL)-BENZAMIDINE, hirudin IIB, thrombin | | 著者 | Nar, H. | | 登録日 | 2002-01-17 | | 公開日 | 2002-02-06 | | 最終更新日 | 2013-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structure-based design of novel potent nonpeptide thrombin inhibitors.
J.Med.Chem., 45, 2002
|
|
1K21
 | | HUMAN THROMBIN-INHIBITOR COMPLEX | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin variant-2, Prothrombin, ... | | 著者 | Stubbs, M.T, Musil, D. | | 登録日 | 2001-09-26 | | 公開日 | 2002-05-08 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Factorising ligand affinity: a combined thermodynamic and crystallographic study of trypsin and thrombin inhibition.
J.Mol.Biol., 313, 2001
|
|
1MKX
 | |
1MKW
 | |
1MU8
 | | thrombin-hirugen_l-378,650 | | 分子名称: | 2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUORO-3-METHYL-6-PYRIDINYL)METHYL]ACETAMIDE, HIRUDIN IIB, THROMBIN | | 著者 | Burgey, C.S, Robinson, K.A, Lyle, T.A, Sanderson, P.E, Lewis, S.D, Lucas, B.J, Krueger, J.A, Singh, R, Miller-Stein, C, White, R.B, Wong, B, Lyle, E.A, Williams, P.D, Coburn, C.A, Dorsey, B.D, Barrow, J.C, Stranieri, M.T, Holahan, M.A, Sitko, G.R, Cook, J.J, McMasters, D.R, McDonough, C.M, Sanders, W.M, Wallace, A.A, Clayton, F.C, Bohn, D, Leonard, Y.M, Detwiler Jr, T.J, Lynch Jr, J.J, Yan, Y, Chen, Z, Kuo, L, Gardell, S.J, Shafer, J.A, Vacca, J.P.J. | | 登録日 | 2002-09-23 | | 公開日 | 2004-04-06 | | 最終更新日 | 2021-07-21 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Metabolism-directed optimization of 3-aminopyrazinone acetamide thrombin inhibitors. Development of an orally bioavailable series containing P1 and P3 pyridines.
J.Med.Chem., 46, 2003
|
|
1K22
 | | HUMAN THROMBIN-INHIBITOR COMPLEX | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin variant-2, Prothrombin, ... | | 著者 | Stubbs, M.T, Musil, D. | | 登録日 | 2001-09-26 | | 公開日 | 2002-05-08 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Factorising ligand affinity: a combined thermodynamic and crystallographic study of trypsin and thrombin inhibition.
J.Mol.Biol., 313, 2001
|
|
1JOU
 | |
1JMO
 | | Crystal Structure of the Heparin Cofactor II-S195A Thrombin Complex | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Baglin, T.P, Carrell, R.W, Esmon, C.T, Huntington, J.A. | | 登録日 | 2001-07-19 | | 公開日 | 2002-08-30 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystal structures of native and thrombin-complexed heparin cofactor II reveal a multistep allosteric mechanism.
Proc.Natl.Acad.Sci.USA, 99, 2002
|
|
1MUE
 | | Thrombin-Hirugen-L405,426 | | 分子名称: | 2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(1-OXIDO-2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUOROPHENYL)METHYL]ACETAMIDE, HIRUDIN IIB, THROMBIN | | 著者 | Burgey, C.S, Robinson, K.A, Lyle, T.A, Nantermet, P.G, Selnick, H.G, Isaacs, R.C, Lewis, S.D, Lucas, B.J, Krueger, J.A, Singh, R, Miller-Stein, C, White, R.B, Wong, B, Lyle, E.A, Stranieri, M.T, Cook, J.J, McMasters, D.R, Pellicore, J.M, Pal, S, Wallace, A.A, Clayton, F.C, Bohn, D, Welsh, D.C, Lynch, J.J, Yan, Y, Chen, Z, Kuo, L, Gardell, S.J, Shafer, J.A, Vacca, J.P. | | 登録日 | 2002-09-23 | | 公開日 | 2004-04-06 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Pharmacokinetic optimization of 3-amino-6-chloropyrazinone acetamide thrombin inhibitors. Implementation of P3 pyridine N-oxides to deliver an orally bioavailable series containing P1 N-benzylamides.
Bioorg.Med.Chem.Lett., 13, 2003
|
|
1MH0
 | | Crystal structure of the anticoagulant slow form of thrombin | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Prothrombin | | 著者 | Pineda, A.O, Savvides, S, Waksman, G, Di Cera, E. | | 登録日 | 2002-08-18 | | 公開日 | 2002-11-08 | | 最終更新日 | 2021-10-27 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Crystal structure of the anticoagulant slow form of thrombin
J.Biol.Chem., 277, 2002
|
|
