3SQE
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![BU of 3sqe by Molmil](/molmil-images/mine/3sqe) | |
3RM0
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![BU of 3rm0 by Molmil](/molmil-images/mine/3rm0) | Human Thrombin in complex with MI354 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hirudin variant-2, ... | 著者 | Biela, A, Heine, A, Klebe, G. | 登録日 | 2011-04-20 | 公開日 | 2012-04-25 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | 主引用文献 | Ligand binding stepwise disrupts water network in thrombin: enthalpic and entropic changes reveal classical hydrophobic effect J.Med.Chem., 55, 2012
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3RML
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![BU of 3rml by Molmil](/molmil-images/mine/3rml) | Human Thrombin in complex with MI331 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hirudin variant-2, ... | 著者 | Biela, A, Heine, A, Klebe, G. | 登録日 | 2011-04-21 | 公開日 | 2012-04-25 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | Ligand binding stepwise disrupts water network in thrombin: enthalpic and entropic changes reveal classical hydrophobic effect J.Med.Chem., 55, 2012
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3SI4
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![BU of 3si4 by Molmil](/molmil-images/mine/3si4) | Human Thrombin In Complex With UBTHR104 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(1-methylpyridinium-2-yl)methyl]-L-prolinamide, GLYCEROL, ... | 著者 | Biela, A, Heine, A, Klebe, G. | 登録日 | 2011-06-17 | 公開日 | 2012-06-20 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.27 Å) | 主引用文献 | Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin J.Mol.Biol., 418, 2012
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3S7H
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![BU of 3s7h by Molmil](/molmil-images/mine/3s7h) | Structure of thrombin mutant Y225P in the E* form | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Prothrombin | 著者 | Niu, W, Chen, Z, Gandhi, P, Vogt, A, Pozzi, N, Pele, L.A, Zapata, F, Di Cera, E. | 登録日 | 2011-05-26 | 公開日 | 2011-07-06 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystallographic and Kinetic Evidence of Allostery in a Trypsin-like Protease. Biochemistry, 50, 2011
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3S7K
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![BU of 3s7k by Molmil](/molmil-images/mine/3s7k) | Structure of thrombin mutant Y225P in the E form | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, POTASSIUM ION, Prothrombin | 著者 | Niu, W, Chen, Z, Gandhi, P, Vogt, A, Pozzi, N, Pele, L.A, Zapata, F, Di Cera, E. | 登録日 | 2011-05-26 | 公開日 | 2011-07-06 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystallographic and Kinetic Evidence of Allostery in a Trypsin-like Protease. Biochemistry, 50, 2011
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3SV2
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![BU of 3sv2 by Molmil](/molmil-images/mine/3sv2) | Human Thrombin In Complex With UBTHR105 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-(pyridin-4-ylmethyl)-L-prolinamide, GLYCEROL, ... | 著者 | Biela, A, Heine, A, Klebe, G. | 登録日 | 2011-07-12 | 公開日 | 2012-06-20 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin J.Mol.Biol., 418, 2012
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3QWC
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![BU of 3qwc by Molmil](/molmil-images/mine/3qwc) | Thrombin Inhibition by Pyridin Derivatives | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(4-chloro-1-methylpyridinium-3-yl)methyl]-L-prolinamide, GLYCEROL, ... | 著者 | Biela, A, Heine, A, Klebe, G. | 登録日 | 2011-02-28 | 公開日 | 2012-03-14 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin J.Mol.Biol., 418, 2012
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3QLP
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![BU of 3qlp by Molmil](/molmil-images/mine/3qlp) | X-ray structure of the complex between human alpha thrombin and a modified thrombin binding aptamer (mTBA) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, POTASSIUM ION, ... | 著者 | Russo Krauss, I, Merlino, A, Mazzarella, L, Sica, F. | 登録日 | 2011-02-03 | 公開日 | 2011-10-19 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Thrombin-aptamer recognition: a revealed ambiguity. Nucleic Acids Res., 39, 2011
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3QTV
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![BU of 3qtv by Molmil](/molmil-images/mine/3qtv) | Thrombin Inhibition by Pyridin Derivatives | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(1-methylpyridinium-4-yl)methyl]-L-prolinamide, GLYCEROL, ... | 著者 | Biela, A, Heine, A, Klebe, G. | 登録日 | 2011-02-23 | 公開日 | 2012-02-29 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin J.Mol.Biol., 418, 2012
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3RMO
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![BU of 3rmo by Molmil](/molmil-images/mine/3rmo) | Human Thrombin in complex with MI004 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hirudin variant-2, ... | 著者 | Biela, A, Heine, A, Klebe, G. | 登録日 | 2011-04-21 | 公開日 | 2012-04-25 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Ligand binding stepwise disrupts water network in thrombin: enthalpic and entropic changes reveal classical hydrophobic effect J.Med.Chem., 55, 2012
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3U8O
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![BU of 3u8o by Molmil](/molmil-images/mine/3u8o) | Human thrombin complexed with D-Phe-Pro-D-Arg-D-Thr | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | 著者 | Figueiredo, A.C, Clement, C.C, Philipp, M, Pereira, P.J.B. | 登録日 | 2011-10-17 | 公開日 | 2012-05-23 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | 主引用文献 | Rational design and characterization of D-Phe-Pro-D-Arg-derived direct thrombin inhibitors. Plos One, 7, 2012
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3U69
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![BU of 3u69 by Molmil](/molmil-images/mine/3u69) | Unliganded wild-type human thrombin | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Figueiredo, A.C, Clement, C.C, Philipp, M, Barbosa Pereira, P.J. | 登録日 | 2011-10-12 | 公開日 | 2012-04-11 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Rational design and characterization of d-phe-pro-d-arg-derived direct thrombin inhibitors. Plos One, 7, 2012
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3U98
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![BU of 3u98 by Molmil](/molmil-images/mine/3u98) | Human Thrombin In Complex With MI001 | 分子名称: | (2S)-1-[(2R)-2-(benzylsulfonylamino)-5-guanidino-pentanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin variant-2, ... | 著者 | Biela, A, Heine, A, Klebe, G. | 登録日 | 2011-10-18 | 公開日 | 2012-10-24 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Thrombin Inhibition To be Published
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1O0D
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![BU of 1o0d by Molmil](/molmil-images/mine/1o0d) | Human Thrombin complexed with a d-Phe-Pro-Arg-type Inhibitor and a C-terminal Hirudin derived exo-site inhibitor | 分子名称: | (2-{2-[(5-CARBAMIMIDOYL-1-METHYL-1H-PYRROL-2-YLMETHYL)-CARBAMOYL]-PYRROL-1-YL}- 1-CYCLOHEXYLMETHYL-2-OXO-ETHYLAMINO)-ACETIC ACID, Decapeptide Hirudin Analogue, Thrombin heavy chain, ... | 著者 | Lange, U.E, Bauke, D, Hornberger, W, Mack, H, Seitz, W, Hoeffken, H.W. | 登録日 | 2003-02-21 | 公開日 | 2003-10-14 | 最終更新日 | 2018-04-04 | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | 主引用文献 | D-Phe-Pro-Arg type thrombin inhibitors: unexpected selectivity by modification of the P1 moiety Bioorg.Med.Chem.Lett., 13, 2003
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1O2G
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![BU of 1o2g by Molmil](/molmil-images/mine/1o2g) | 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, ACETYL HIRUDIN, SODIUM 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 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.58 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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1O5G
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![BU of 1o5g by Molmil](/molmil-images/mine/1o5g) | 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, CALCIUM ION, Hirudin IIIB', ... | 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 | 2023-11-15 | 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
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1NRS
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![BU of 1nrs by Molmil](/molmil-images/mine/1nrs) | |
1NRN
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![BU of 1nrn by Molmil](/molmil-images/mine/1nrn) | |
1NRR
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![BU of 1nrr by Molmil](/molmil-images/mine/1nrr) | |
1NRO
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![BU of 1nro by Molmil](/molmil-images/mine/1nro) | |
1NL1
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![BU of 1nl1 by Molmil](/molmil-images/mine/1nl1) | BOVINE PROTHROMBIN FRAGMENT 1 IN COMPLEX WITH CALCIUM ION | 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, CALCIUM ION, ... | 著者 | Huang, M, Huang, G, Furie, B, Seaton, B, Furie, B.C. | 登録日 | 2003-01-06 | 公開日 | 2003-09-16 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural basis of membrane binding by Gla domains of vitamin K-dependent proteins. Nat.Struct.Biol., 10, 2003
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1PPB
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![BU of 1ppb by Molmil](/molmil-images/mine/1ppb) | |
1NL2
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![BU of 1nl2 by Molmil](/molmil-images/mine/1nl2) | BOVINE PROTHROMBIN FRAGMENT 1 IN COMPLEX WITH CALCIUM AND LYSOPHOSPHOTIDYLSERINE | 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, CALCIUM ION, ... | 著者 | Huang, M, Huang, G, Furie, B, Seaton, B, Furie, B.C. | 登録日 | 2003-01-06 | 公開日 | 2003-09-16 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural basis of membrane binding by Gla domains of vitamin K-dependent proteins. Nat.Struct.Biol., 10, 2003
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1P8V
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![BU of 1p8v by Molmil](/molmil-images/mine/1p8v) | CRYSTAL STRUCTURE OF THE COMPLEX OF PLATELET RECEPTOR GPIB-ALPHA AND ALPHA-THROMBIN AT 2.6A | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIISOPROPYL PHOSPHONATE, ... | 著者 | Dumas, J.J, Kumar, R, Seehra, J, Somers, W.S, Mosyak, L. | 登録日 | 2003-05-07 | 公開日 | 2003-07-22 | 最終更新日 | 2021-10-27 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Crystal Structure of the GpIbalpha-Thrombin Complex Essential for Platelet Aggregation Science, 301, 2003
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