PDB: 539 件ウェブページステータス検索Chemie searchBIRD

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3SQE	Crystal structure of prethrombin-2 mutant S195A in the alternative form 分子名称: GLYCEROL, Thrombin light chain, heavy chain 著者 Pozzi, N, Chen, Z, Di Cera, E. 登録日 2011-07-05 公開日 2011-11-30 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Crystal structures of prethrombin-2 reveal alternative conformations under identical solution conditions and the mechanism of zymogen activation. Biochemistry, 50, 2011
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
1NRS	CRYSTALLOGRAPHIC STRUCTURES OF THROMBIN COMPLEXED WITH THROMBIN RECEPTOR PEPTIDES: EXISTENCE OF EXPECTED AND NOVEL BINDING MODES 分子名称: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), HIRUGEN, ... 著者 Tulinsky, A, Mathews, I.I. 登録日 1994-01-18 公開日 1994-05-31 最終更新日 2024-06-05 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Crystallographic structures of thrombin complexed with thrombin receptor peptides: existence of expected and novel binding modes. Biochemistry, 33, 1994
1NRN	CRYSTALLOGRAPHIC STRUCTURES OF THROMBIN COMPLEXED WITH THROMBIN RECEPTOR PEPTIDES: EXISTENCE OF EXPECTED AND NOVEL BINDING MODES 分子名称: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), RECEPTOR BASED PEPTIDE NRS 著者 Tulinsky, A, Mathews, I.I. 登録日 1994-01-18 公開日 1994-05-31 最終更新日 2024-06-05 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 Crystallographic structures of thrombin complexed with thrombin receptor peptides: existence of expected and novel binding modes. Biochemistry, 33, 1994
1NRR	Crystallographic structures of Thrombin complexed with Thrombin receptor peptides: Existence of expected and novel binding modes 分子名称: D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, Proteinase-activated receptor 1, Thrombin heavy chain, ... 著者 Tulinsky, A, Mathews, I.I. 登録日 1994-01-18 公開日 1994-05-31 最終更新日 2024-06-05 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Crystallographic structures of thrombin complexed with thrombin receptor peptides: existence of expected and novel binding modes. Biochemistry, 33, 1994
1NRO	CRYSTALLOGRAPHIC STRUCTURES OF THROMBIN COMPLEXED WITH THROMBIN RECEPTOR PEPTIDES: EXISTENCE OF EXPECTED AND NOVEL BINDING MODES 分子名称: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), RECEPTOR BASED PEPTIDE NRP 著者 Tulinsky, A, Mathews, I.I. 登録日 1994-01-18 公開日 1994-05-31 最終更新日 2024-06-05 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 Crystallographic structures of thrombin complexed with thrombin receptor peptides: existence of expected and novel binding modes. Biochemistry, 33, 1994
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
1PPB	THE REFINED 1.9 ANGSTROMS CRYSTAL STRUCTURE OF HUMAN ALPHA-THROMBIN: INTERACTION WITH D-PHE-PRO-ARG CHLOROMETHYLKETONE AND SIGNIFICANCE OF THE TYR-PRO-PRO-TRP INSERTION SEGMENT 分子名称: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide 著者 Bode, W. 登録日 1991-10-24 公開日 1994-01-31 最終更新日 2024-06-05 実験手法 X-RAY DIFFRACTION (1.92 Å) 主引用文献 The refined 1.9 A crystal structure of human alpha-thrombin: interaction with D-Phe-Pro-Arg chloromethylketone and significance of the Tyr-Pro-Pro-Trp insertion segment. EMBO J., 8, 1989
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
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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