2QFZ
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![BU of 2qfz by Molmil](/molmil-images/mine/2qfz) | Crystal structure of human TBC1 domain family member 22A | Descriptor: | TBC1 domain family member 22A, UNKNOWN ATOM OR ION | Authors: | Tong, Y, Tempel, W, Dimov, S, Dong, A, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2007-06-28 | Release date: | 2007-07-10 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of human TBC1 domain family member 22A. To be Published
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2QKO
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![BU of 2qko by Molmil](/molmil-images/mine/2qko) | Crystal structure of transcriptional regulator RHA06399 from Rhodococcus sp. RHA1 | Descriptor: | Possible transcriptional regulator, TetR family protein | Authors: | Chang, C, Xu, X, Zheng, H, Savchenko, A, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2007-07-11 | Release date: | 2007-07-24 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal structure of tetR family protein. To be Published
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2QMA
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![BU of 2qma by Molmil](/molmil-images/mine/2qma) | Crystal structure of glutamate decarboxylase domain of diaminobutyrate-pyruvate transaminase and L-2,4-diaminobutyrate decarboxylase from Vibrio parahaemolyticus | Descriptor: | 1,2-ETHANEDIOL, Diaminobutyrate-pyruvate transaminase and L-2,4-diaminobutyrate decarboxylase | Authors: | Osipiuk, J, Sather, A, Gu, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2007-07-14 | Release date: | 2007-07-31 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | X-ray crystal structure of glutamate decarboxylase domain of diaminobutyrate-pyruvate transaminase and L-2,4-diaminobutyrate decarboxylase from Vibrio parahaemolyticus. To be Published
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2QNP
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![BU of 2qnp by Molmil](/molmil-images/mine/2qnp) | HIV-1 Protease in complex with a iodo decorated pyrrolidine-based inhibitor | Descriptor: | CHLORIDE ION, Gag-Pol polyprotein (Pr160Gag-Pol), N,N'-(3S,4S)-pyrrolidine-3,4-diylbis[N-(4-iodobenzyl)benzenesulfonamide] | Authors: | Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G. | Deposit date: | 2007-07-19 | Release date: | 2008-04-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Structure-Guided Design of C2-Symmetric HIV-1 Protease Inhibitors Based on a Pyrrolidine Scaffold. J.Med.Chem., 51, 2008
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2QQ1
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![BU of 2qq1 by Molmil](/molmil-images/mine/2qq1) | Crystal Structure Of Molybdenum Cofactor Biosynthesis (aq_061) Other Form From Aquifex Aeolicus Vf5 | Descriptor: | Molybdenum cofactor biosynthesis MOG | Authors: | Jeyakanthan, J, Mahesh, S, Kanaujia, S.P, Ramakumar, S, Sekar, K, Agari, Y, Ebihara, A, Kuramitsu, S, Shinkai, A, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-07-26 | Release date: | 2008-07-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure Of Molybdenum Cofactor Biosynthesis (aq_061) Other Form From Aquifex Aeolicus Vf5 To be Published
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2QYH
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![BU of 2qyh by Molmil](/molmil-images/mine/2qyh) | Crystal structure of the hypothetical protein (gk1056) from geobacillus kaustophilus HTA426 | Descriptor: | GLYCEROL, Hypothetical conserved protein, GK1056 | Authors: | Jeyakanthan, J, Kanaujia, S.P, Sekar, K, Ebihara, A, Shinkai, A, Kuramitsu, S, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-08-15 | Release date: | 2008-08-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of the hypothetical protein (gk1056) from geobacillus kaustophilus HTA426 To be Published
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2R43
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![BU of 2r43 by Molmil](/molmil-images/mine/2r43) | I50V HIV-1 protease in complex with an amino decorated pyrrolidine-based inhibitor | Descriptor: | CHLORIDE ION, GLYCEROL, N,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4-AMINO-N-BENZYLBENZENESULFONAMIDE), ... | Authors: | Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G. | Deposit date: | 2007-08-30 | Release date: | 2008-09-09 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Structural and Kinetic Analysis of Pyrrolidine-Based Inhibitors of the Drug-Resistant Ile84Val Mutant of HIV-1 Protease J.Mol.Biol., 383, 2008
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2QG7
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![BU of 2qg7 by Molmil](/molmil-images/mine/2qg7) | Plasmodium vivax ethanolamine kinase Pv091845 | Descriptor: | SULFATE ION, ethanolamine kinase Pv091845 | Authors: | Lunin, V.V, Wernimont, A.K, Mulichak, A, Lew, J, Wasney, G, Senisterra, G, Kozieradzki, I, Vedadi, M, Bochkarev, A, Arrowsmith, C.H, Sundstrom, M, Weigelt, J, Edwards, A.E, Hui, R, Hills, T, Artz, J, Xiao, T, Structural Genomics Consortium (SGC) | Deposit date: | 2007-06-28 | Release date: | 2007-07-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.407 Å) | Cite: | Plasmodium vivax ethanolamine kinase Pv091845 TO BE PUBLISHED
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2QER
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![BU of 2qer by Molmil](/molmil-images/mine/2qer) | Crystal structure of Cryptosporidium parvum cyclophilin type peptidyl-prolyl cis-trans isomerase cgd2_1660 in the presence of dipeptide ala-pro | Descriptor: | ALANINE, Cyclophilin-like protein, putative, ... | Authors: | Wernimont, A.K, Lew, J, Hills, T, Hassanali, A, Lin, L, Wasney, G, Zhao, Y, Kozieradzki, I, Vedadi, M, Schapira, M, Bochkarev, A, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Hui, R, Artz, J.D, Amani, M, Structural Genomics Consortium (SGC) | Deposit date: | 2007-06-26 | Release date: | 2007-07-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Crystal structure of Cryptosporidium parvum cyclophilin type peptidyl-prolyl cis-trans isomerase cgd2_1660 in the presence of dipeptide ala-pro. To be Published
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4M3D
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![BU of 4m3d by Molmil](/molmil-images/mine/4m3d) | Rapid and efficient design of new inhibitors of Mycobacterium tuberculosis transcriptional repressor EthR using fragment growing, merging and linking approaches | Descriptor: | 4-{3-[(phenylsulfonyl)amino]prop-1-yn-1-yl}-N-(3,3,3-trifluoropropyl)benzamide, HTH-type transcriptional regulator EthR | Authors: | Villemagne, B, Flipo, M, Blondiaux, N, Crauste, C, Malaquin, S, Leroux, F, Piveteau, C, Villeret, V, Brodin, P, Villoutreix, B, Sperandio, O, Wohlkonig, A, Wintjens, R, Deprez, B, Baulard, A, Willand, N. | Deposit date: | 2013-08-06 | Release date: | 2014-06-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Ligand Efficiency Driven Design of New Inhibitors of Mycobacterium tuberculosis Transcriptional Repressor EthR Using Fragment Growing, Merging, and Linking Approaches. J.Med.Chem., 57, 2014
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2QNA
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![BU of 2qna by Molmil](/molmil-images/mine/2qna) | Crystal structure of human Importin-beta (127-876) in complex with the IBB-domain of Snurportin1 (1-65) | Descriptor: | Importin subunit beta-1, SULFATE ION, Snurportin-1 | Authors: | Wohlwend, D, Strasser, A, Dickmanns, A, Ficner, R. | Deposit date: | 2007-07-18 | Release date: | 2008-04-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Structural basis for RanGTP independent entry of spliceosomal U snRNPs into the nucleus. J.Mol.Biol., 374, 2007
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2QNQ
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![BU of 2qnq by Molmil](/molmil-images/mine/2qnq) | HIV-1 Protease in complex with a chloro decorated pyrrolidine-based inhibitor | Descriptor: | CHLORIDE ION, Gag-Pol polyprotein (Pr160Gag-Pol), N,N'-(3S,4S)-pyrrolidine-3,4-diylbis(N-benzyl-2-chlorobenzenesulfonamide) | Authors: | Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G. | Deposit date: | 2007-07-19 | Release date: | 2008-04-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Guided Design of C2-Symmetric HIV-1 Protease Inhibitors Based on a Pyrrolidine Scaffold. J.Med.Chem., 51, 2008
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3QUL
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![BU of 3qul by Molmil](/molmil-images/mine/3qul) | Crystal structures of the murine class I major histocompatibility complex H-2Db in complex with LCMV-derived gp33 altered peptide ligand (Y4S) | Descriptor: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ... | Authors: | Allerbring, E, Duru, A.D, Uchtenhagen, H, Madhurantakam, C, Grimm, S, Tomek, M.B, Mazumdar, P.A, Spetz, A, Friemann, R, Sandalova, T, Uhlin, M, Nygren, P, Achour, A. | Deposit date: | 2011-02-24 | Release date: | 2012-03-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Unexpected T-cell recognition of an altered peptide ligand is driven by reversed thermodynamics. Eur.J.Immunol., 42, 2012
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3QWP
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![BU of 3qwp by Molmil](/molmil-images/mine/3qwp) | Crystal structure of SET and MYND domain containing 3; Zinc finger MYND domain-containing protein 1 | Descriptor: | GLYCEROL, S-ADENOSYLMETHIONINE, SET and MYND domain-containing protein 3, ... | Authors: | Dong, A, Dombrovski, L, Li, Y, Wernimont, A, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2011-02-28 | Release date: | 2011-04-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | The Crystal Structure of human Histone-lysine N-methyltransferase SMYD3 To be Published
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2OXC
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![BU of 2oxc by Molmil](/molmil-images/mine/2oxc) | Human DEAD-box RNA helicase DDX20, DEAD domain in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Probable ATP-dependent RNA helicase DDX20 | Authors: | Karlberg, T, Ogg, D, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hallberg, B.M, Hammarstrom, M, Hogbom, M, Johansson, I, Kotenyova, T, Lehtio, L, Moche, M, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Holmberg-Schiavone, L, Structural Genomics Consortium (SGC) | Deposit date: | 2007-02-20 | Release date: | 2007-02-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Human DEAD-box RNA helicase DDX20 To be Published
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3QNW
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![BU of 3qnw by Molmil](/molmil-images/mine/3qnw) | Caspase-6 in complex with Z-VAD-FMK inhibitor | Descriptor: | Caspase-6, Z-VAD-FMK | Authors: | Mueller, I, Lamers, M, Ritchie, A, Park, H, Dominguez, C, Munoz, I, Maillard, M, Kiselyov, A. | Deposit date: | 2011-02-09 | Release date: | 2011-09-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structure of human caspase-6 in complex with Z-VAD-FMK: New peptide binding mode observed for the non-canonical caspase conformation. Bioorg.Med.Chem.Lett., 21, 2011
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2QU8
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![BU of 2qu8 by Molmil](/molmil-images/mine/2qu8) | Crystal structure of putative nucleolar GTP-binding protein 1 PFF0625w from Plasmodium falciparum | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Putative nucleolar GTP-binding protein 1 | Authors: | Wernimont, A.K, Lew, J, Lin, Y.H, Kozieradzki, I, Zhao, Y, Ravichandran, M, Shapiro, M, Bochkarev, A, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Hui, R, Qiu, W, Sukumar, D, Hassanali, A, Structural Genomics Consortium (SGC) | Deposit date: | 2007-08-03 | Release date: | 2007-08-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Crystal structure of putative nucleolar GTP-binding protein 1 PFF0625w from Plasmodium falciparum. To be Published
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1W0Y
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![BU of 1w0y by Molmil](/molmil-images/mine/1w0y) | tf7a_3771 complex | Descriptor: | 4-(4-BENZYLOXY-2-METHANESULFONYLAMINO-5-METHOXY-BENZYLAMINO)-BENZAMIDINE, BLOOD COAGULATION FACTOR VIIA, CACODYLATE ION, ... | Authors: | Banner, D.W, D'Arcy, A, Groebke-Zbinden, K, Ackermann, J, Kirchhofer, D, Ji, Y.-H, Tschopp, T.B, Wallbaum, S, Weber, L. | Deposit date: | 2004-05-27 | Release date: | 2005-01-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Design of Selective Phenylglycine Amide Tissue Factor/Factor Viia Inhibitors Bioorg.Med.Chem.Lett., 15, 2005
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1W1S
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![BU of 1w1s by Molmil](/molmil-images/mine/1w1s) | Plant Cytokinin Dehydrogenase in Complex with Benzylaminopurine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CYTOKININ DEHYDROGENASE, ... | Authors: | Malito, E, Mattevi, A. | Deposit date: | 2004-06-23 | Release date: | 2004-08-26 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of Michaelis and Product Complexes of Plant Cytokinin Dehydrogenase: Implications for Flavoenzyme Catalysis J.Mol.Biol., 341, 2004
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3QH2
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![BU of 3qh2 by Molmil](/molmil-images/mine/3qh2) | Crystal structure of TenI from Bacillus subtilis complexed with product cThz-P | Descriptor: | 4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazole-2-carboxylic acid, Regulatory protein tenI, SULFATE ION | Authors: | Han, Y, Zhang, Y, Hazra, A, Chatterjee, A, Lai, R, Begley, T.P, Ealick, S.E. | Deposit date: | 2011-01-25 | Release date: | 2011-05-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.231 Å) | Cite: | A Missing Enzyme in Thiamin Thiazole Biosynthesis: Identification of TenI as a Thiazole Tautomerase. J.Am.Chem.Soc., 133, 2011
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2R3T
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![BU of 2r3t by Molmil](/molmil-images/mine/2r3t) | I50V HIV-1 protease mutant in complex with a carbamoyl decorated pyrrolidine-based inhibitor | Descriptor: | 4,4'-{(3S,4S)-PYRROLIDINE-3,4-DIYLBIS[(BENZYLIMINO)SULFONYL]}DIBENZAMIDE, CHLORIDE ION, Protease | Authors: | Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G. | Deposit date: | 2007-08-30 | Release date: | 2008-09-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and Kinetic Analysis of Pyrrolidine-Based Inhibitors of the Drug-Resistant Ile84Val Mutant of HIV-1 Protease J.Mol.Biol., 383, 2008
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2QM0
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![BU of 2qm0 by Molmil](/molmil-images/mine/2qm0) | Crystal structure of BES protein from Bacillus cereus | Descriptor: | BES, SULFATE ION | Authors: | Kim, Y, Maltseva, N, Zawadzka, A, Holzle, D, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2007-07-13 | Release date: | 2007-07-31 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Crystal Structure of BES from Bacillus cereus. To be Published
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2N7H
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![BU of 2n7h by Molmil](/molmil-images/mine/2n7h) | Hybrid structure of the Type 1 Pilus of Uropathogenic E.coli | Descriptor: | FimA | Authors: | Habenstein, B, Loquet, A, Giller, K, Vasa, S, Becker, S, Habeck, M, Lange, A. | Deposit date: | 2015-09-11 | Release date: | 2015-09-23 | Last modified: | 2015-10-14 | Method: | SOLID-STATE NMR | Cite: | Hybrid Structure of the Type 1 Pilus of Uropathogenic Escherichia coli. Angew.Chem.Int.Ed.Engl., 54, 2015
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2N9N
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![BU of 2n9n by Molmil](/molmil-images/mine/2n9n) | |
1TBZ
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![BU of 1tbz by Molmil](/molmil-images/mine/1tbz) | HUMAN THROMBIN WITH ACTIVE SITE N-METHYL-D PHENYLALANYL-N-[5-(AMINOIMINOMETHYL)AMINO]-1-{{BENZOTHIAZOLYL)CARBONYL] BUTYL]-L-PROLINAMIDE TRIFLUROACETATE AND EXOSITE-HIRUGEN | Descriptor: | ALPHA-THROMBIN, D-phenylalanyl-N-{(1S)-1-[(S)-1,3-benzothiazol-2-yl(hydroxy)methyl]-4-carbamimidamidobutyl}-L-prolinamide, HIRUGEN, ... | Authors: | Matthews, J.H, Krishnan, R, Costanzo, M.J, Maryanoff, B.E, Tulinsky, A. | Deposit date: | 1998-02-05 | Release date: | 1998-05-27 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of thrombin with thiazole-containing inhibitors: probes of the S1' binding site. Biophys.J., 71, 1996
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