4E7R
 
 | | Thrombin in complex with 3-amidinophenylalanine inhibitor | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(2S)-3-[4-(2-aminoethyl)piperidin-1-yl]-2-{[(2',4'-dichlorobiphenyl-3-yl)sulfonyl]amino}-3-oxopropyl]benzenecarboximidamide, GLYCEROL, ... | | 著者 | Ruehmann, E, Heine, A, Klebe, G. | | 登録日 | 2012-03-19 | | 公開日 | 2012-06-20 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | New 3-amidinophenylalanine-derived inhibitors of matriptase
MEDCHEMCOMM, 3, 2012
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2C90
 | | thrombin inhibitors | | 分子名称: | 1-(4-CHLOROPHENYL)-1H-TETRAZOLE, DIMETHYL SULFOXIDE, HIRUDIN VARIANT-2, ... | | 著者 | Howard, N, Abell, C, Blakemore, W, Carr, R, Chessari, G, Congreve, M, Howard, S, Jhoti, H, Murray, C.W, Seavers, L.C.A, van Montfort, R.L.M. | | 登録日 | 2005-12-08 | | 公開日 | 2006-07-04 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Application of Fragment Screening and Fragment Linking to the Discovery of Novel Thrombin Inhibitors
J.Med.Chem., 49, 2006
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2ZFP
 | | Thrombin Inibition | | 分子名称: | 1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)-L-prolinamide, Hirudin variant-1, SODIUM ION, ... | | 著者 | Baum, B, Heine, A, Klebe, G. | | 登録日 | 2008-01-08 | | 公開日 | 2008-12-16 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Think twice: understanding the high potency of bis(phenyl)methane inhibitors of thrombin
J.Mol.Biol., 391, 2009
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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
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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
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6Z48
 | | Crystal structure of Thrombin in complex with macrocycle X1vE | | 分子名称: | 5-chloranyl-N-[[(4S,15R)-2,5,13,16-tetrakis(oxidanylidene)-15-propan-2-yl-9,10-dithia-3,6,14,17-tetrazabicyclo[17.3.1]tricosa-1(22),19(23),20-trien-4-yl]methyl]thiophene-2-carboxamide, SODIUM ION, Thrombin heavy chain, ... | | 著者 | Angelini, A, Habeshian, S, Heinis, C, Cendron, L. | | 登録日 | 2020-05-23 | | 公開日 | 2022-06-01 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | Synthesis and direct assay of large macrocycle diversities by combinatorial late-stage modification at picomole scale.
Nat Commun, 13, 2022
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6V64
 | | Crystal structure of human thrombin bound to ppack with tryptophans replaced by 5-F-tryptophan | | 分子名称: | D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, SODIUM ION, Thrombin heavy chain, ... | | 著者 | Ruben, E.A, Chen, Z, Di Cera, E. | | 登録日 | 2019-12-04 | | 公開日 | 2020-05-13 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | | 主引用文献 | 19F NMR reveals the conformational properties of free thrombin and its zymogen precursor prethrombin-2.
J.Biol.Chem., 295, 2020
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1OOK
 | | Crystal Structure of the Complex of Platelet Receptor GPIb-alpha and Human alpha-Thrombin | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Human Alpha Thrombin, ... | | 著者 | Varughese, K.I, Celikel, R, Ruggeri, Z.M. | | 登録日 | 2003-03-03 | | 公開日 | 2003-07-22 | | 最終更新日 | 2021-10-27 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Modulation of alpha-thrombin function by distinct interactions with platelet
glycoprotein Ibalpha
Science, 301, 2003
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1TA2
 | | Crystal structure of thrombin in complex with compound 1 | | 分子名称: | 1-(2-AMINO-3,3-DIPHENYL-PROPIONYL)-PYRROLIDINE-3-CARBOXYLIC ACID 2,5-DICHLORO-BENZYLAMIDE, Hirudin, thrombin | | 著者 | Tucker, T.J, Brady, S.F, Lumma, W.C, Lewis, S.D, Gardel, S.J, Naylor-Olsen, A.M, Yan, Y, Sisko, J.T, Stauffer, K.J, Lucas, B.Y, Lynch, J.J, Cook, J.J, Stranieri, M.T, Holahan, M.A, Lyle, E.A, Baskin, E.P, Chen, I.-W, Dancheck, K.B, Krueger, J.A, Cooper, C.M, Vacca, J.P. | | 登録日 | 2004-05-19 | | 公開日 | 2004-06-08 | | 最終更新日 | 2017-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Design and synthesis of a series of potent and orally bioavailable
noncovalent thrombin inhibitors that utilize nonbasic groups in the P1 position
J.Med.Chem., 41, 1998
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1BHX
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1DIT
 | | COMPLEX OF A DIVALENT INHIBITOR WITH THROMBIN | | 分子名称: | ALPHA-THROMBIN, PEPTIDE INHIBITOR CVS995 | | 著者 | Tulinsky, A, Krishnan, R. | | 登録日 | 1995-07-20 | | 公開日 | 1996-06-10 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Synthesis, structure, and structure-activity relationships of divalent thrombin inhibitors containing an alpha-keto-amide transition-state mimetic.
Protein Sci., 5, 1996
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6GWE
 | | Crystal structure of Thrombin bound to P2 macrocycle | | 分子名称: | (10S,14S,17R)-14-(3-carbamimidamidopropyl)-3-[[2-(hydroxymethyl)phenyl]methyl]-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(21),22,24-triene-17-carboxamide, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Cendron, L, Angelini, A, Kale, S.S, Bergeron-Brlek, M, Wu, Y, Heinis, C. | | 登録日 | 2018-06-23 | | 公開日 | 2019-09-25 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Thiol-to-amine cyclization reaction enables screening of large libraries of macrocyclic compounds and the generation of sub-kilodalton ligands.
Sci Adv, 5, 2019
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1SG8
 | | Crystal structure of the procoagulant fast form of thrombin | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, thrombin | | 著者 | Pineda, A.O, Carrell, C.J, Bush, L.A, Prasad, S, Caccia, S, Chen, Z.W, Mathews, F.S, Di Cera, E. | | 登録日 | 2004-02-23 | | 公開日 | 2004-06-08 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Molecular dissection of na+ binding to thrombin.
J.Biol.Chem., 279, 2004
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1DX5
 | | Crystal structure of the thrombin-thrombomodulin complex | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, FORMIC ACID, ... | | 著者 | Fuentes-Prior, P, Iwanaga, Y, Huber, R, Pagila, R, Rumennik, G, Seto, M, Morser, J, Light, D.R, Bode, W. | | 登録日 | 1999-12-20 | | 公開日 | 2000-04-10 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural Basis for the Anticoagulant Activity of the Thrombin-Thrombomodulin Complex
Nature, 404, 2000
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1FPC
 | | ACTIVE SITE MIMETIC INHIBITION OF THROMBIN | | 分子名称: | Hirudin, amino{[(4S)-4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)-5-(4-ethylpiperidin-1-yl)-5-oxopentyl]amino}methaniminium, thrombin | | 著者 | Tulinsky, A, Mathews, I.I. | | 登録日 | 1994-10-16 | | 公開日 | 1995-02-27 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Active-site mimetic inhibition of thrombin.
Acta Crystallogr.,Sect.D, 51, 1995
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1ABI
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1SGI
 | | Crystal structure of the anticoagulant slow form of thrombin | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, thrombin | | 著者 | Pineda, A.O, Carrell, C.J, Bush, L.A, Prasad, S, Caccia, S, Chen, Z.W, Mathews, F.S, Di Cera, E. | | 登録日 | 2004-02-23 | | 公開日 | 2004-06-08 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Molecular dissection of na+ binding to thrombin.
J.Biol.Chem., 279, 2004
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1D9I
 | | STRUCTURE OF THROMBIN COMPLEXED WITH SELECTIVE NON-ELECTOPHILIC INHIBITORS HAVING CYCLOHEXYL MOIETIES AT P1 | | 分子名称: | (5S)-N-[(trans-4-aminocyclohexyl)methyl]-1,3-dioxo-2-[2-(phenylsulfonyl)ethyl]-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide, HIRUGEN, SODIUM ION, ... | | 著者 | Krishnan, R, Mochalkin, I, Arni, R, Tulinsky, A. | | 登録日 | 1999-10-27 | | 公開日 | 2000-10-30 | | 最終更新日 | 2017-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure of thrombin complexed with selective non-electrophilic inhibitors having cyclohexyl moieties at P1.
Acta Crystallogr.,Sect.D, 56, 2000
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1BTH
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1XM1
 | | Nonbasic Thrombin Inhibitor Complex | | 分子名称: | Hirudin, N-{[(2S)-1-(N-{[4-({[AMINO(IMINO)METHYL]AMINO}METHYL)CYCLOHEXYL]CARBONYL}-3-CYCLOHEXYL-L-ALANYL)AZETIDIN-2-YL]CARBONYL}-L-TYROSYL-N~6~-[AMINO(IMINO)METHYL]-L-LYSINAMIDE, thrombin | | 著者 | Friedrich, R, Bode, W, Schwienhorst, A. | | 登録日 | 2004-10-01 | | 公開日 | 2005-05-10 | | 最終更新日 | 2013-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Nonbasic Thrombin Inhibitor Complex
To be Published
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3BIU
 | | Human thrombin-in complex with UB-THR10 | | 分子名称: | (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclopentylamino)ethanoyl)pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin, ... | | 著者 | Gerlach, C, Smolinski, M, Steuber, H, Sotriffer, C.A, Heine, A, Hangauer, D.G, Klebe, G. | | 登録日 | 2007-12-01 | | 公開日 | 2007-12-25 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Thermodynamic Inhibition Profile of a Cyclopentyl and a Cyclohexyl Derivative towards Thrombin: The Same but for Different Reasons
Angew.Chem.Int.Ed.Engl., 46, 2007
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3HTC
 | | THE STRUCTURE OF A COMPLEX OF RECOMBINANT HIRUDIN AND HUMAN ALPHA-THROMBIN | | 分子名称: | ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), HIRUDIN VARIANT 2 | | 著者 | Tulinsky, A, Rydel, T.J, Ravichandran, K.G, Huber, R, Bode, W. | | 登録日 | 1993-06-11 | | 公開日 | 1994-01-31 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | The structure of a complex of recombinant hirudin and human alpha-thrombin.
Science, 249, 1990
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1HAH
 | | THE ISOMORPHOUS STRUCTURES OF PRETHROMBIN2, HIRUGEN-AND PPACK-THROMBIN: CHANGES ACCOMPANYING ACTIVATION AND EXOSITE BINDING TO THROMBIN | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), ... | | 著者 | Tulinsky, A, Vijayalakshmi, J. | | 登録日 | 1994-06-27 | | 公開日 | 1994-12-20 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | The isomorphous structures of prethrombin2, hirugen-, and PPACK-thrombin: changes accompanying activation and exosite binding to thrombin.
Protein Sci., 3, 1994
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1NY2
 | | Human alpha thrombin inhibited by RPPGF and hirugen | | 分子名称: | Hirugen, Inhibitor peptide RPPGF, thrombin Heavy chain, ... | | 著者 | Krishnan, R, Tulinsky, A, Schmaier, A.H, Hasan, A.A, Warnock, M, Srikanth, S, Mahdi, F. | | 登録日 | 2003-02-11 | | 公開日 | 2003-03-04 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Mechanisms of Arg-Pro-Pro-Gly-Phe inhibition of thrombin.
Am.J.Physiol.Heart Circ.Physiol., 285, 2003
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4HTC
 | | THE REFINED STRUCTURE OF THE HIRUDIN-THROMBIN COMPLEX | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), ... | | 著者 | Tulinsky, A, Rydel, T.J, Bode, W, Huber, R. | | 登録日 | 1993-06-25 | | 公開日 | 1994-01-31 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Refined structure of the hirudin-thrombin complex.
J.Mol.Biol., 221, 1991
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