4YFD
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![BU of 4yfd by Molmil](/molmil-images/mine/4yfd) | Crystal structure PTP delta Ig1-Fn2 in complex with IL-1RAcP | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-1 receptor accessory protein, Receptor-type tyrosine-protein phosphatase delta | 著者 | Yamagata, A, Fukai, S. | 登録日 | 2015-02-25 | 公開日 | 2015-05-06 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (3.253 Å) | 主引用文献 | Mechanisms of splicing-dependent trans-synaptic adhesion by PTP delta-IL1RAPL1/IL-1RAcP for synaptic differentiation. Nat Commun, 6, 2015
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8IYC
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![BU of 8iyc by Molmil](/molmil-images/mine/8iyc) | Structure insight into substrate recognition and catalysis by feruloyl esterase from Aspergillus sydowii | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | 著者 | Phienluphon, A, Kondo, K, Mikami, B, Nagata, T, Katahira, M. | 登録日 | 2023-04-04 | 公開日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Structural insights into the molecular mechanisms of substrate recognition and hydrolysis by feruloyl esterase from Aspergillus sydowii. Int.J.Biol.Macromol., 253, 2023
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8IY8
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![BU of 8iy8 by Molmil](/molmil-images/mine/8iy8) | Structure insight into substrate recognition and catalysis by feruloyl esterase from Aspergillus sydowii | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Feruloyl esterase | 著者 | Phienluphon, A, Kondo, K, Mikami, B, Nagata, T, Katahira, M. | 登録日 | 2023-04-04 | 公開日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structural insights into the molecular mechanisms of substrate recognition and hydrolysis by feruloyl esterase from Aspergillus sydowii. Int.J.Biol.Macromol., 253, 2023
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4BVW
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![BU of 4bvw by Molmil](/molmil-images/mine/4bvw) | Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV. | 分子名称: | 1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid, 1,2-ETHANEDIOL, APOLIPOPROTEIN(A), ... | 著者 | Sandmark, J, Althage, M, Andersson, G.M.K, Antonsson, T, Blaho, S, Bodin, C, Bostrom, J, Chen, Y, Dahlen, A, Eriksson, P.O, Evertsson, E, Fex, T, Fjellstrom, O, Gustafsson, D, Hallberg, C, Hicks, R, Jarkvist, E, Johansson, C, Kalies, I, Kang, D, Svalstedt Karlsson, B, Kartberg, F, Legnehed, A, Lindqvist, A.M, Martinsson, S.A, Moberg, A, Petersson, A.U, Ridderstrom, M, Thelin, A, Tigerstrom, A, Vinblad, J, Xu, B, Knecht, W. | 登録日 | 2013-06-28 | 公開日 | 2014-07-16 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A) To be Published
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6D2L
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![BU of 6d2l by Molmil](/molmil-images/mine/6d2l) | Crystal structure of human CARM1 with (S)-SKI-72 | 分子名称: | (2S,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-N-[2-(4-hydroxyphenyl)ethyl]hexanamide, GLYCEROL, Histone-arginine methyltransferase CARM1, ... | 著者 | DONG, A, ZENG, H, WALKER, J.R, Hutchinson, A, Seitova, A, LUO, M, CAI, X.C, KE, W, WANG, J, SHI, C, ZHENG, W, LEE, J.P, IBANEZ, G, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | 登録日 | 2018-04-13 | 公開日 | 2018-05-23 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | A chemical probe of CARM1 alters epigenetic plasticity against breast cancer cell invasion. Elife, 8, 2019
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3K02
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![BU of 3k02 by Molmil](/molmil-images/mine/3k02) | Crystal structures of the GacH receptor of Streptomyces glaucescens GLA.O in the unliganded form and in complex with acarbose and an acarbose homolog. Comparison with acarbose-loaded maltose binding protein of Salmonella typhimurium. | 分子名称: | 4,6-dideoxy-4-{[(1S,2R,3R,4S,5S)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}-alpha-D-allopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranose, Acarbose/maltose binding protein GacH, SULFATE ION | 著者 | Vahedi-Faridi, A, Licht, A, Bulut, H, Schneider, E. | 登録日 | 2009-09-24 | 公開日 | 2010-02-16 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Crystal Structures of the Solute Receptor GacH of Streptomyces glaucescens in Complex with Acarbose and an Acarbose Homolog: Comparison with the Acarbose-Loaded Maltose-Binding Protein of Salmonella typhimurium. J.Mol.Biol., 397, 2010
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5HKY
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![BU of 5hky by Molmil](/molmil-images/mine/5hky) | Crystal structure of c-Cbl TKBD domain in complex with SPRY2 peptide (36-60, pY55) Refined to 1.8A Resolution (P6 form) | 分子名称: | CHLORIDE ION, E3 ubiquitin-protein ligase CBL, PENTAETHYLENE GLYCOL, ... | 著者 | Lovell, S, Battaile, K.P, Mehzabeen, N, Zhang, N, Cooper, A, Gao, P, Perez, R.P. | 登録日 | 2016-01-14 | 公開日 | 2017-01-18 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal structure of c-Cbl TKBD domain in complex with SPRY2 peptide (36-60, pY55) Refined to 1.8A Resolution (P6 form) To be published
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3JD0
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![BU of 3jd0 by Molmil](/molmil-images/mine/3jd0) | Glutamate dehydrogenase in complex with GTP | 分子名称: | GUANOSINE-5'-TRIPHOSPHATE, Glutamate dehydrogenase 1, mitochondrial | 著者 | Borgnia, M.J, Banerjee, S, Merk, A, Matthies, D, Bartesaghi, A, Rao, P, Pierson, J, Earl, L.A, Falconieri, V, Subramaniam, S, Milne, J.L.S. | 登録日 | 2016-03-28 | 公開日 | 2016-04-27 | 最終更新日 | 2024-02-21 | 実験手法 | ELECTRON MICROSCOPY (3.47 Å) | 主引用文献 | Using Cryo-EM to Map Small Ligands on Dynamic Metabolic Enzymes: Studies with Glutamate Dehydrogenase. Mol.Pharmacol., 89, 2016
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8J3S
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![BU of 8j3s by Molmil](/molmil-images/mine/8j3s) | Complex structure of human cytomegalovirus protease and a macrocyclic peptide ligand | 分子名称: | Assemblin, PHE-ILE-THR-GLY-HIS-TYR-TRP-VAL-ARG-PHE-LEU-PRO-CYS-GLY | 著者 | Yoshida, S, Sako, Y, Nikaido, E, Ueda, T, Kozono, I, Ichihashi, Y, Nakahashi, A, Onishi, M, Yamatsu, Y, Kato, T, Nishikawa, J, Tachibana, Y. | 登録日 | 2023-04-18 | 公開日 | 2023-11-08 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3.09 Å) | 主引用文献 | Peptide-to-Small Molecule: Discovery of Non-Covalent, Active-Site Inhibitors of beta-Herpesvirus Proteases. Acs Med.Chem.Lett., 14, 2023
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3JD4
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![BU of 3jd4 by Molmil](/molmil-images/mine/3jd4) | Glutamate dehydrogenase in complex with NADH and GTP, closed conformation | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GUANOSINE-5'-TRIPHOSPHATE, Glutamate dehydrogenase 1, ... | 著者 | Borgnia, M.J, Banerjee, S, Merk, A, Matthies, D, Bartesaghi, A, Rao, P, Pierson, J, Earl, L.A, Falconieri, V, Subramaniam, S, Milne, J.L.S. | 登録日 | 2016-03-28 | 公開日 | 2016-04-27 | 最終更新日 | 2024-02-21 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Using Cryo-EM to Map Small Ligands on Dynamic Metabolic Enzymes: Studies with Glutamate Dehydrogenase. Mol.Pharmacol., 89, 2016
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1NVG
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![BU of 1nvg by Molmil](/molmil-images/mine/1nvg) | N249Y MUTANT OF THE ALCOHOL DEHYDROGENASE FROM THE ARCHAEON SULFOLOBUS SOLFATARICUS-TETRAGONAL CRYSTAL FORM | 分子名称: | NAD-dependent alcohol dehydrogenase, ZINC ION | 著者 | Esposito, L, Bruno, I, Sica, F, Raia, C.A, Giordano, A, Rossi, M, Mazzarella, L, Zagari, A. | 登録日 | 2003-02-03 | 公開日 | 2003-08-26 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structural study of a single-point mutant of Sulfolobus solfataricus alcohol dehydrogenase with enhanced activity Febs Lett., 539, 2003
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8J3T
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![BU of 8j3t by Molmil](/molmil-images/mine/8j3t) | Complex structure of human cytomegalovirus protease and a non-covalent small-molecule ligand | 分子名称: | (4R)-1-[1-[(S)-[1-cyclopentyl-3-(2-methylphenyl)pyrazol-4-yl]-(4-methylphenyl)methyl]-2-oxidanylidene-pyridin-3-yl]-3-methyl-2-oxidanylidene-N-(3-oxidanylidene-2-azabicyclo[2.2.2]octan-4-yl)imidazolidine-4-carboxamide, Assemblin | 著者 | Yoshida, S, Sako, Y, Nikaido, E, Ueda, T, Kozono, I, Ichihashi, Y, Nakahashi, A, Onishi, M, Yamatsu, Y, Kato, T, Nishikawa, J, Tachibana, Y. | 登録日 | 2023-04-18 | 公開日 | 2023-11-08 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Peptide-to-Small Molecule: Discovery of Non-Covalent, Active-Site Inhibitors of beta-Herpesvirus Proteases. Acs Med.Chem.Lett., 14, 2023
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3JTI
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![BU of 3jti by Molmil](/molmil-images/mine/3jti) | Crystal structure of the complex formed between Phospholipase A2 with beta-amyloid fragment, Lys-Gly-Ala-Ile-Ile-Gly-Leu-Met at 1.8 A resolution | 分子名称: | CALCIUM ION, Phospholipase A2 isoform 3, octapeptide from Amyloid beta A4 protein | 著者 | Pandey, N, Mirza, Z, Vikram, G, Singh, N, Bhushan, A, Kaur, P, Srinivasan, A, Sharma, S, Singh, T.P. | 登録日 | 2009-09-12 | 公開日 | 2010-07-21 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal structure of the complex formed between Phospholipase A2 with beta-amyloid fragment, Lys-Gly-Ala-Ile-Ile-Gly-Leu-Met at 1.8 A resolution To be Published
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4IRO
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![BU of 4iro by Molmil](/molmil-images/mine/4iro) | Crystal structure of T-state carbonmonoxy hemoglobin from Trematomus bernacchii at pH 8.4 | 分子名称: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | 著者 | Merlino, A, Balsamo, A, Mazzarella, L, Vergara, A. | 登録日 | 2013-01-15 | 公開日 | 2013-02-20 | 最終更新日 | 2013-10-23 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Role of tertiary structures on the Root effect in fish hemoglobins. Biochim.Biophys.Acta, 1834, 2013
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4TRZ
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![BU of 4trz by Molmil](/molmil-images/mine/4trz) | Structure of BACE1 complex with 2-thiophenyl HEA-type inhibitor | 分子名称: | 2-thiophenyl HEA-type inhibitor, Beta-secretase 1 | 著者 | Akaji, K, Teruya, K, Akiyama, T, Sanjho, A, Yamashita, E, Nakagawa, A. | 登録日 | 2014-06-18 | 公開日 | 2015-07-01 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | 主引用文献 | Evaluation of transition-state mimics in a superior BACE1 cleavage sequence as peptide-mimetic BACE1 inhibitors Bioorg.Med.Chem., 23, 2015
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4TNI
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![BU of 4tni by Molmil](/molmil-images/mine/4tni) | RT XFEL structure of Photosystem II 500 ms after the third illumination at 4.6 A resolution | 分子名称: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | 著者 | Kern, J, Tran, R, Alonso-Mori, R, Koroidov, S, Echols, N, Hattne, J, Ibrahim, M, Gul, S, Laksmono, H, Sierra, R.G, Gildea, R.J, Han, G, Hellmich, J, Lassalle-Kaiser, B, Chatterjee, R, Brewster, A, Stan, C.A, Gloeckner, C, Lampe, A, DiFiore, D, Milathianaki, D, Fry, A.R, Seibert, M.M, Koglin, J.E, Gallo, E, Uhlig, J, Sokaras, D, Weng, T.-C, Zwart, P.H, Skinner, D.E, Bogan, M.J, Messerschmidt, M, Glatzel, P, Williams, G.J, Boutet, S, Adams, P.D, Zouni, A, Messinger, J, Sauter, N.K, Bergmann, U, Yano, J, Yachandra, V.K. | 登録日 | 2014-06-04 | 公開日 | 2014-07-09 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (4.6 Å) | 主引用文献 | Taking snapshots of photosynthetic water oxidation using femtosecond X-ray diffraction and spectroscopy. Nat Commun, 5, 2014
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8J6E
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![BU of 8j6e by Molmil](/molmil-images/mine/8j6e) | |
5HK1
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![BU of 5hk1 by Molmil](/molmil-images/mine/5hk1) | Human sigma-1 receptor bound to PD144418 | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-(4-methylphenyl)-5-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1,2-oxazole, SULFATE ION, ... | 著者 | Schmidt, H.R, Zheng, S, Gurpinar, E, Koehl, A, Manglik, A, Kruse, A.C. | 登録日 | 2016-01-13 | 公開日 | 2016-04-06 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.5051 Å) | 主引用文献 | Crystal structure of the human sigma 1 receptor. Nature, 532, 2016
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4YX4
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![BU of 4yx4 by Molmil](/molmil-images/mine/4yx4) | Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (1). | 分子名称: | Carbonic anhydrase 2, GLYCEROL, MERCURIBENZOIC ACID, ... | 著者 | Rechlin, C, Heine, A, Klebe, G. | 登録日 | 2015-03-22 | 公開日 | 2016-02-03 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.01 Å) | 主引用文献 | Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies. J.Med.Chem., 59, 2016
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8DNC
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![BU of 8dnc by Molmil](/molmil-images/mine/8dnc) | CryoEM structure of the A. aeolicus WzmWzt transporter bound to the native O antigen and ADP | 分子名称: | 6-deoxy-3-O-methyl-alpha-D-mannopyranose-(1-3)-beta-D-rhamnopyranose-(1-2)-alpha-D-rhamnopyranose, ABC transporter, ADENOSINE-5'-DIPHOSPHATE, ... | 著者 | Spellmon, N, Muszynski, A, Vlach, J, Zimmer, J. | 登録日 | 2022-07-11 | 公開日 | 2022-09-21 | 最終更新日 | 2024-06-12 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Molecular basis for polysaccharide recognition and modulated ATP hydrolysis by the O antigen ABC transporter. Nat Commun, 13, 2022
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3JZA
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![BU of 3jza by Molmil](/molmil-images/mine/3jza) | Crystal structure of human Rab1b in complex with the GEF domain of DrrA/SidM from Legionella pneumophila | 分子名称: | PHOSPHATE ION, Ras-related protein Rab-1B, Uncharacterized protein DrrA | 著者 | Schoebel, S, Oesterlin, L.K, Blankenfeldt, W, Goody, R.S, Itzen, A. | 登録日 | 2009-09-23 | 公開日 | 2010-01-19 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | RabGDI displacement by DrrA from Legionella is a consequence of its guanine nucleotide exchange activity. Mol.Cell, 36, 2009
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1CAU
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![BU of 1cau by Molmil](/molmil-images/mine/1cau) | DETERMINATION OF THREE CRYSTAL STRUCTURES OF CANAVALIN BY MOLECULAR REPLACEMENT | 分子名称: | CANAVALIN | 著者 | Ko, T-P, Ng, J.D, Day, J, Greenwood, A, McPherson, A. | 登録日 | 1993-07-08 | 公開日 | 1993-10-31 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Determination of three crystal structures of canavalin by molecular replacement. Acta Crystallogr.,Sect.D, 49, 1993
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8JB7
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![BU of 8jb7 by Molmil](/molmil-images/mine/8jb7) | Crystal structure of CMY-185 | 分子名称: | Beta-lactamase, SULFATE ION | 著者 | Kawai, A, Doi, Y. | 登録日 | 2023-05-08 | 公開日 | 2023-12-13 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Structural insights into the molecular mechanism of high-level ceftazidime-avibactam resistance conferred by CMY-185. Mbio, 15, 2024
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5MLS
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![BU of 5mls by Molmil](/molmil-images/mine/5mls) | Thrombin Mutant A190S in complex with (S)-1-(D-phenylalanyl)-N-(3-chlorobenzyl)pyrrolidine-2-carboxamide | 分子名称: | D-phenylalanyl-N-(3-chlorobenzyl)-L-prolinamide, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Marca, A, Sandner, A, Heine, A, Klebe, G. | 登録日 | 2016-12-07 | 公開日 | 2017-12-20 | 最終更新日 | 2018-06-13 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Thrombin Mutante A190S in complex with (S)-1-((R)-2-amino-3,3-diphenylpropanoyl)-N-(4-carbamimidoylbenzyl)pyrrolidine-2-carboxamide to be published
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8JB8
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![BU of 8jb8 by Molmil](/molmil-images/mine/8jb8) | |