1E0F
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![BU of 1e0f by Molmil](/molmil-images/mine/1e0f) | Crystal structure of the human alpha-thrombin-haemadin complex: an exosite II-binding inhibitor | Descriptor: | HAEMADIN, THROMBIN | Authors: | Richardson, J.L, Kroeger, B, Hoefken, W, Pereira, P, Huber, R, Bode, W, Fuentes-Prior, P. | Deposit date: | 2000-03-27 | Release date: | 2000-11-03 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystal Structure of the Human Alpha-Thrombin-Haemadin Complex: An Exosite II-Binding Inhibitor Embo J., 19, 2000
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7NTU
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![BU of 7ntu by Molmil](/molmil-images/mine/7ntu) | X-ray structure of the complex between human alpha thrombin and two duplex/quadruplex aptamers: NU172 and HD22_27mer | Descriptor: | 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, HD22_27mer, ... | Authors: | Troisi, R, Santamaria, A, Sica, F. | Deposit date: | 2021-03-10 | Release date: | 2021-04-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural and functional analysis of the simultaneous binding of two duplex/quadruplex aptamers to human alpha-thrombin. Int.J.Biol.Macromol., 181, 2021
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1NRO
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1NRN
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1SR5
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![BU of 1sr5 by Molmil](/molmil-images/mine/1sr5) | ANTITHROMBIN-ANHYDROTHROMBIN-HEPARIN TERNARY COMPLEX STRUCTURE | Descriptor: | 2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-deoxy-2,3,6-tri-O-methyl-alpha-D-xylo-hexopyranose-(1-4)-2,3,6-tri-O-methyl-beta-D-glucopyranose-(1-4)-2,3-di-O-methyl-6-O-sulfo-alpha-D-glucopyranose-(1-4)-(2R,3R,4S,5S,6S)-6-(dihydroxymethyl)-3,4-dimethoxytetrahydro-2H-pyran-2,5-diol-(1-4)-2,3,6-tri-O-sulfo-alpha-D-glucopyranose-(1-4)-(2R,3R,4S,5S,6R)-6-(dihydroxymethyl)-3,4-dimethoxytetrahydro-2H-pyran-2,5-diol-(1-4)-1,5-anhydro-3-O-methyl-2,6-di-O-sulfo-D-glucitol, ... | Authors: | Dementiev, A, Petitou, M, Gettins, P.G. | Deposit date: | 2004-03-22 | Release date: | 2004-08-17 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | The ternary complex of antithrombin-anhydrothrombin-heparin reveals the basis of inhibitor specificity. Nat.Struct.Mol.Biol., 11, 2004
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1DWB
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7ZKL
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![BU of 7zkl by Molmil](/molmil-images/mine/7zkl) | X-ray structure of the complex between human alpha thrombin and a pseudo-cyclic thrombin binding aptamer (TBA-NNp/DDp) - Crystal form alpha | Descriptor: | (2S)-2-hydroxybutanedioic acid, 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, ... | Authors: | Troisi, R, Sica, F. | Deposit date: | 2022-04-13 | Release date: | 2022-11-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.18 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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4E06
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![BU of 4e06 by Molmil](/molmil-images/mine/4e06) | Anophelin from the malaria vector inhibits thrombin through a novel reverse-binding mechanism | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, Salivary anti-thrombin peptide anophelin, ... | Authors: | Figueiredo, A.C, de Sanctis, D, Gutierrez-Gallego, R, Cereija, T.B, Macedo-Ribeiro, S, Fuentes-Prior, P, Pereira, P.J.B. | Deposit date: | 2012-03-02 | Release date: | 2012-12-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.196 Å) | Cite: | Unique thrombin inhibition mechanism by anophelin, an anticoagulant from the malaria vector. Proc.Natl.Acad.Sci.USA, 109, 2012
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3PMH
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2BVX
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![BU of 2bvx by Molmil](/molmil-images/mine/2bvx) | Design and Discovery of Novel, Potent Thrombin Inhibitors with a Solubilizing Cationic P1-P2-Linker | Descriptor: | ALPHA THROMBIN, HIRUDIN VARIANT-2, N-(5-CHLORO-BENZO[B]THIOPHEN-3-YLMETHYL)-2-[6-CHLORO-OXO-3-(2-PYRIDIN-2-YL-ETHYLAMINO)-2H-PYRAZIN-1-YL]-ACETAMIDE | Authors: | Bulat, S, Bosio, S, Grabowski, E, Papadopoulos, M.A, Cerezo-Galvez, S, Rosenbaum, C, Matassa, V.G, Ott, I, Metz, G, Schamberger, J, Sekul, R, Feurer, A. | Deposit date: | 2005-07-04 | Release date: | 2006-10-25 | Last modified: | 2016-12-21 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Design and Discovery of Novel, Potent Pyrazinone-Based Thrombin Inhibitors with a Solubilizing P1-P2-Linker Lett.Drug Des.Discovery, 3, 2006
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8UF7
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![BU of 8uf7 by Molmil](/molmil-images/mine/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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5EDK
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![BU of 5edk by Molmil](/molmil-images/mine/5edk) | Crystal structure of prothrombin deletion mutant residues 146-167 ( Form II ). | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, ... | Authors: | Pozzi, N, Chen, Z, Di Cera, E. | Deposit date: | 2015-10-21 | Release date: | 2016-01-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.214 Å) | Cite: | How the Linker Connecting the Two Kringles Influences Activation and Conformational Plasticity of Prothrombin. J.Biol.Chem., 291, 2016
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2HPP
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2HPQ
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6P9U
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![BU of 6p9u by Molmil](/molmil-images/mine/6p9u) | Crystal structure of human thrombin mutant W215A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Prothrombin, ZINC ION | Authors: | Pelc, L.A, Koester, S.K, Chen, Z, Di Cera, E. | Deposit date: | 2019-06-10 | Release date: | 2019-09-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Residues W215, E217 and E192 control the allosteric E*-E equilibrium of thrombin. Sci Rep, 9, 2019
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4HZH
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![BU of 4hzh by Molmil](/molmil-images/mine/4hzh) | Structure of recombinant Gla-domainless prothrombin mutant S525A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Prothrombin | Authors: | Pozzi, N, Niu, W, Gohara, D.W, Chen, Z, Di Cera, E. | Deposit date: | 2012-11-15 | Release date: | 2013-06-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Crystal structure of prothrombin reveals conformational flexibility and mechanism of activation. J.Biol.Chem., 288, 2013
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4O03
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![BU of 4o03 by Molmil](/molmil-images/mine/4o03) | Crystal structure of Ca2+ bound prothrombin deletion mutant residues 146-167 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Prothrombin | Authors: | Pozzi, N, Chen, Z, Shropshire, D.B, Pelc, L.A, Di Cera, E. | Deposit date: | 2013-12-13 | Release date: | 2014-05-21 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (3.38 Å) | Cite: | The linker connecting the two kringles plays a key role in prothrombin activation. Proc.Natl.Acad.Sci.USA, 111, 2014
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1NRQ
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5EW2
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![BU of 5ew2 by Molmil](/molmil-images/mine/5ew2) | Human thrombin sandwiched between two DNA aptamers: HD22 and HD1-deltaT12 | Descriptor: | 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, HD1-deltaT12, ... | Authors: | Pica, A, Russo Krauss, I, Parente, V, Sica, F. | Deposit date: | 2015-11-20 | Release date: | 2016-11-30 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.59 Å) | Cite: | Through-bond effects in the ternary complexes of thrombin sandwiched by two DNA aptamers. Nucleic Acids Res., 45, 2017
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2A45
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![BU of 2a45 by Molmil](/molmil-images/mine/2a45) | Crystal structure of the complex between thrombin and the central "E" region of fibrin | Descriptor: | D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, Fibrinogen alpha chain, Fibrinogen beta chain, ... | Authors: | Pechik, I, Madrazo, J, Gilliland, G.L, Medved, L. | Deposit date: | 2005-06-27 | Release date: | 2006-05-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3.65 Å) | Cite: | Structural basis for sequential cleavage of fibrinopeptides upon fibrin assembly. Biochemistry, 45, 2006
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7TPP
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6C2W
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![BU of 6c2w by Molmil](/molmil-images/mine/6c2w) | Crystal structure of human prothrombin mutant S101C/A470C | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Prothrombin, ... | Authors: | Chinnaraj, M, Chen, Z, Pelc, L, Grese, Z, Bystranowska, D, Di Cera, E, Pozzi, N. | Deposit date: | 2018-01-09 | Release date: | 2018-02-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (4.12 Å) | Cite: | Structure of prothrombin in the closed form reveals new details on the mechanism of activation. Sci Rep, 8, 2018
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6BJR
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![BU of 6bjr by Molmil](/molmil-images/mine/6bjr) | Crystal structure of prothrombin mutant S101C/A470C | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Prothrombin, ... | Authors: | Chinnaraj, M, Chen, Z, Pelc, L, Grese, Z, Bystranowska, D, Di Cera, E, Pozzi, N. | Deposit date: | 2017-11-06 | Release date: | 2018-06-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (6 Å) | Cite: | Structure of prothrombin in the closed form reveals new details on the mechanism of activation. Sci Rep, 8, 2018
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1AYK
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4AYK
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![BU of 4ayk by Molmil](/molmil-images/mine/4ayk) | CATALYTIC FRAGMENT OF HUMAN FIBROBLAST COLLAGENASE COMPLEXED WITH CGS-27023A, NMR, 30 STRUCTURES | Descriptor: | CALCIUM ION, N-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3-PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE, PROTEIN (COLLAGENASE), ... | Authors: | Powers, R, Moy, F.J. | Deposit date: | 1999-02-01 | Release date: | 1999-06-05 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | NMR solution structure of the catalytic fragment of human fibroblast collagenase complexed with a sulfonamide derivative of a hydroxamic acid compound. Biochemistry, 38, 1999
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