2ZGX
| Thrombin Inhibition | Descriptor: | 1-[(2R)-2-aminobutanoyl]-N-(4-carbamimidoylbenzyl)-L-prolinamide, Hirudin variant-1, SODIUM ION, ... | Authors: | Baum, B, Heine, A, Klebe, G. | Deposit date: | 2008-01-28 | Release date: | 2008-12-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Think twice: understanding the high potency of bis(phenyl)methane inhibitors of thrombin J.Mol.Biol., 391, 2009
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2ZFP
| Thrombin Inibition | Descriptor: | 1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)-L-prolinamide, Hirudin variant-1, SODIUM ION, ... | Authors: | Baum, B, Heine, A, Klebe, G. | Deposit date: | 2008-01-08 | Release date: | 2008-12-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Think twice: understanding the high potency of bis(phenyl)methane inhibitors of thrombin J.Mol.Biol., 391, 2009
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2ZC9
| Thrombin in complex with Inhibitor | Descriptor: | D-phenylalanyl-N-(3-chlorobenzyl)-L-prolinamide, Hirudin variant-1, SODIUM ION, ... | Authors: | Baum, B, Heine, A, Klebe, G. | Deposit date: | 2007-11-06 | Release date: | 2008-10-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Think twice: understanding the high potency of bis(phenyl)methane inhibitors of thrombin J.Mol.Biol., 391, 2009
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8UF7
| Cryo-EM structure of POmAb, a Type-I anti-prothrombin antiphospholipid antibody, bound to kringle-1 of human prothrombin | Descriptor: | POmAb Heavy Chain, POmAb Light Chain, Prothrombin | Authors: | Kumar, S, Summers, B, Basore, K, Pozzi, N. | Deposit date: | 2023-10-03 | Release date: | 2024-02-14 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryo-EM structure and functional basis of prothrombin recognition by a type I antiprothrombin antiphospholipid antibody. Blood, 143, 2024
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1EGT
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1BMM
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1OYH
| Crystal Structure of P13 Alanine Variant of Antithrombin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antithrombin-III, ... | Authors: | Johnson, D.J.D, Huntington, J.A. | Deposit date: | 2003-04-04 | Release date: | 2004-04-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | The influence of hinge region residue Glu-381 on antithrombin allostery and metastability J.Biol.Chem., 279, 2004
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1KTT
| Thrombin inhibitor complex | Descriptor: | 4-(5-BENZENESULFONYLAMINO-1-METHYL-1H-BENZOIMIDAZOL-2-YLMETHYL)-BENZAMIDINE, hirudin IIB, thrombin | Authors: | Nar, H. | Deposit date: | 2002-01-17 | Release date: | 2002-02-06 | Last modified: | 2013-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-based design of novel potent nonpeptide thrombin inhibitors. J.Med.Chem., 45, 2002
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1KTS
| Thrombin Inhibitor Complex | Descriptor: | 3-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO)-METHYL]-3-METHYL-3H-BENZOIMIDAZOLE-5-CARBONYL}-PYRIDIN-2-YL-AMINO)-PROPIONIC ACID ETHYL ESTER, hirudin IIB, thrombin | Authors: | Nar, H. | Deposit date: | 2002-01-17 | Release date: | 2002-02-06 | Last modified: | 2013-03-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-based design of novel potent nonpeptide thrombin inhibitors. J.Med.Chem., 45, 2002
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1BBR
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1NM6
| thrombin in complex with selective macrocyclic inhibitor at 1.8A | Descriptor: | (11S)-11-BENZYL-6-CHLORO-1,2,10,11,12,13,14,15,16,17,18,19-DODECAHYDRO-5,9-METHANO-2,5,8,10,13,17-BENZOHEXAAZACYCLOHENICOSINE-3,24-DIONE, Hirudin, thrombin | Authors: | Nantermet, P.G, Barrow, J.C, Newton, C.L, Pellicore, J.M, Young, M, Lewis, S.D, Lucas, B.J, Krueger, J.A, McMasters, D.R, Yan, Y, Kuo, L.C, Vacca, J.P, Selnick, H.G. | Deposit date: | 2003-01-09 | Release date: | 2003-09-02 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design and synthesis of potent and selective macrocyclic thrombin inhibitors Bioorg.Med.Chem.Lett., 13, 2003
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1NT1
| thrombin in complex with selective macrocyclic inhibitor | Descriptor: | (6R,21AS)-17-CHLORO-6-CYCLOHEXYL-2,3,6,7,10,11,19,20-OCTAHYDRO-1H,5H-PYRROLO[1,2-K][1,4,8,11,14]BENZOXATETRAAZA-CYCLOHEPTADECINE-5,8,12,21(9H,13H,21AH)-TETRONE, Hirudin, thrombin | Authors: | Nantermet, P.G, Barrow, J.C, Newton, C.L, Pellicore, J.M, Young, M, Lewis, S.D, Lucas, B.J, Krueger, J.A, McMasters, D.R, Yan, Y, Kuo, L.C, Vacca, J.P, Selnick, H.G. | Deposit date: | 2003-01-28 | Release date: | 2003-09-02 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design and synthesis of potent and selective macrocyclic thrombin inhibitors Bioorg.Med.Chem.Lett., 13, 2003
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1AY6
| THROMBIN INHIBITOR FROM THEONALLA, CYCLOTHEANAMIDE-BASED MACROCYCLIC TRIPEPTIDE MOTIF | Descriptor: | HIRUGEN, THROMBIN HEAVY CHAIN, THROMBIN LIGHT CHAIN, ... | Authors: | Ganesh, V, Maryanoff, B.E, Tulinsky, A. | Deposit date: | 1997-11-14 | Release date: | 1998-03-18 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Novel thrombin inhibitors that are based on a macrocyclic tripeptide motif Bioorg.Med.Chem.Lett., 6, 1996
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1NQ9
| Crystal Structure of Antithrombin in the Pentasaccharide-Bound Intermediate State | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3,4-di-O-methyl-2,6-di-O-sulfo-alpha-D-glucopyranose-(1-4)-2,3-di-O-methyl-beta-D-glucopyranuronic acid-(1-4)-2,3,6-tri-O-sulfo-alpha-D-glucopyranose-(1-4)-3-O-methyl-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-methyl 2,3,6-tri-O-sulfo-alpha-D-glucopyranoside, ... | Authors: | Huntington, J.A, Johnson, D.J.D. | Deposit date: | 2003-01-21 | Release date: | 2003-09-30 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structure of Antithrombin in a Heparin-Bound Intermediate State Biochemistry, 42, 2003
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2PF1
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1CA8
| Thrombin inhibitors with rigid tripeptidyl aldehydes | Descriptor: | 2-{(3S)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-N-{(2S)-1-[(3S)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide, HIRUGEN, SODIUM ION, ... | Authors: | Krishnan, R, Zhang, E, Hakansson, K, Arni, R.K, Tulinsky, A, Lim-Wilby, M.S.L, Levy, O.E, Semple, J.E, Brunck, T.K. | Deposit date: | 1998-04-27 | Release date: | 1999-04-27 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Highly selective mechanism-based thrombin inhibitors: structures of thrombin and trypsin inhibited with rigid peptidyl aldehydes Biochemistry, 37, 1998
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1BA8
| THROMBIN INHIBITOR WITH A RIGID TRIPEPTIDYL ALDEHYDES | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUGEN, THROMBIN, ... | Authors: | Krishnan, R, Zhang, E, Hakansson, K, Arni, R.K, Tulinsky, A, Lim-Wilby, M.S.L, Levy, O.E, Semple, J.E, Brunck, T.K. | Deposit date: | 1998-04-23 | Release date: | 1999-04-27 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Highly selective mechanism-based thrombin inhibitors: structures of thrombin and trypsin inhibited with rigid peptidyl aldehydes. Biochemistry, 37, 1998
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1BB0
| THROMBIN INHIBITORS WITH RIGID TRIPEPTIDYL ALDEHYDES | Descriptor: | 2-{(3S)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-N-{(2S)-1-[(3R)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide, HIRUGEN, SODIUM ION, ... | Authors: | Krishnan, R, Zhang, E, Hakansson, K, Arni, R.K, Tulinsky, A, Lim-Wilby, M.S.L, Levy, O.E, Semple, J.E, Brunck, T.K. | Deposit date: | 1998-04-28 | Release date: | 1999-04-27 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Highly selective mechanism-based thrombin inhibitors: structures of thrombin and trypsin inhibited with rigid peptidyl aldehydes. Biochemistry, 37, 1998
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1E03
| PLASMA ALPHA ANTITHROMBIN-III AND PENTASACCHARIDE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3,4-di-O-methyl-2,6-di-O-sulfo-alpha-D-glucopyranose-(1-4)-2,3-di-O-methyl-beta-D-glucopyranuronic acid-(1-4)-2,3,6-tri-O-sulfo-alpha-D-glucopyranose-(1-4)-3-O-methyl-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-methyl 2,3,6-tri-O-sulfo-alpha-D-glucopyranoside, ... | Authors: | McCoy, A.J, Jin, L, Abrahams, J.-P, Skinner, R, Carrell, R.W. | Deposit date: | 2000-03-09 | Release date: | 2000-06-02 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure of Beta-Antithrombin and the Effect of Glycosylation on Antithrombin'S Heparin Affinity and Activity. J.Mol.Biol., 326, 2003
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1E05
| PLASMA ALPHA ANTITHROMBIN-III | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ANTITHROMBIN-III, ... | Authors: | McCoy, A.J, Skinner, R, Abrahams, J.-P, Pei, X.Y, Carrell, R.W. | Deposit date: | 2000-03-09 | Release date: | 2000-06-02 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Structure of Beta-Antithrombin and the Effect of Glycosylation on Antithrombin'S Heparin Affinity and Activity. J.Mol.Biol., 326, 2003
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1E04
| PLASMA BETA ANTITHROMBIN-III | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ANTITHROMBIN-III, GLYCEROL, ... | Authors: | Mccoy, A.J, Skinner, R, Abrahams, J.-P, Pei, X.Y, Carrell, R.W. | Deposit date: | 2000-03-09 | Release date: | 2000-06-02 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of Beta-Antithrombin and the Effect of Glycosylation on Antithrombin'S Heparin Affinity and Activity. J.Mol.Biol., 326, 2003
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1ATT
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7SR9
| Human alpha-thrombin with 180- and 220- loops replaced with homologous loops from protein C | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, SULFATE ION, ... | Authors: | Di Cera, E, Ruben, E.A, Chen, Z. | Deposit date: | 2021-11-08 | Release date: | 2021-12-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The active site region plays a critical role in Na + binding to thrombin. J.Biol.Chem., 298, 2022
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7PHX
| Tsetse thrombin inhibitor in complex with human alpha-thrombin - acid-stable sulfotyrosine analogue | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, Thrombin heavy chain, ... | Authors: | Pereira, P.J.B, Ripoll-Rozada, J, Calisto, B.M. | Deposit date: | 2021-08-18 | Release date: | 2021-10-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Synthesis and evaluation of peptidic thrombin inhibitors bearing acid-stable sulfotyrosine analogues. Chem.Commun.(Camb.), 57, 2021
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7ZKO
| X-ray structure of the complex between human alpha thrombin and a pseudo-cyclic thrombin binding aptamer (TBA-NNp/DDp) - Crystal form delta | Descriptor: | 3-[13-methyl-5,7,12,14-tetrakis(oxidanylidene)-6,13-diazatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]propyl 3-[5,7,12,14-tetrakis(oxidanylidene)-13-(3-oxidanylpropyl)-6,13-diazatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1,3,8(16),9,11(15)-pentaen-6-yl]propyl hydrogen phosphate, 3-[5-[3-bis(oxidanyl)phosphanyloxypropoxy]naphthalen-1-yl]oxypropyl 3-(5-oxidanylnaphthalen-1-yl)oxypropyl hydrogen phosphate, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, ... | Authors: | Troisi, R, Sica, F. | Deposit date: | 2022-04-13 | Release date: | 2022-11-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A terminal functionalization strategy reveals unusual binding abilities of anti-thrombin anticoagulant aptamers. Mol Ther Nucleic Acids, 30, 2022
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