1P8X
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5THO
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![BU of 5tho by Molmil](/molmil-images/mine/5tho) | Crystal Structure of Mycobacterium Tuberculosis Proteasome in complex with N,C-capped Dipeptide Inhibitor PKS2205 | 分子名称: | N,N-diethyl-N~2~-(3-phenylpropanoyl)-L-asparaginyl-O-methyl-N-[(naphthalen-1-yl)methyl]-L-serinamide, Proteasome subunit alpha, Proteasome subunit beta | 著者 | Hsu, H.C, Li, H. | 登録日 | 2016-09-30 | 公開日 | 2017-01-11 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.002 Å) | 主引用文献 | Structural Basis for the Species-Selective Binding of N,C-Capped Dipeptides to the Mycobacterium tuberculosis Proteasome. Biochemistry, 56, 2017
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5TRG
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![BU of 5trg by Molmil](/molmil-images/mine/5trg) | Structure of Mycobacterium tuberculosis proteasome in complex with N,C-capped dipeptide DPLG-2 | 分子名称: | N,N-diethyl-N~2~-[(2E)-3-phenylprop-2-enoyl]-L-asparaginyl-4-fluoro-N-[(naphthalen-1-yl)methyl]-L-phenylalaninamide, Proteasome subunit alpha, Proteasome subunit beta | 著者 | Hsu, H.-C, Fan, H, Singh, R.K, Wang, R, Sukenick, G, Nathan, C, Lin, G, Li, H. | 登録日 | 2016-10-26 | 公開日 | 2017-01-11 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.804 Å) | 主引用文献 | Structural Basis for the Species-Selective Binding of N,C-Capped Dipeptides to the Mycobacterium tuberculosis Proteasome. Biochemistry, 56, 2017
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5UJ2
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![BU of 5uj2 by Molmil](/molmil-images/mine/5uj2) | Crystal structure of HCV NS5B genotype 2A JFH-1 isolate with S15G E86Q E87Q C223H V321I mutations and Delta8 neta hairpoin loop deletion in complex with GS-639476 (diphsohate version of GS-9813), Mn2+ and symmetrical primer template 5'-AUAAAUUU | 分子名称: | (1S)-1-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-1,4-anhydro-2-deoxy-2-fluoro-5-O-[(S)-hydroxy(phosphonooxy)phosphoryl]-2-methyl-D-ribitol, CHLORIDE ION, Genome polyprotein, ... | 著者 | Edwards, T.E, Fox III, D, Appleby, T.C, Murakami, E, Rey, A, McGrath, M.E. | 登録日 | 2017-01-16 | 公開日 | 2017-03-22 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Discovery of a 2'-fluoro-2'-C-methyl C-nucleotide HCV polymerase inhibitor and a phosphoramidate prodrug with favorable properties. Bioorg. Med. Chem. Lett., 27, 2017
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7KND
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1OCR
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7L92
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3IXS
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![BU of 3ixs by Molmil](/molmil-images/mine/3ixs) | Ring1B C-terminal domain/RYBP C-terminal domain Complex | 分子名称: | 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, E3 ubiquitin-protein ligase RING2, ... | 著者 | Wang, R, Taylor, A.B, Kim, C.A. | 登録日 | 2009-09-04 | 公開日 | 2010-08-25 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Polycomb Group Targeting through Different Binding Partners of RING1B C-Terminal Domain. Structure, 18, 2010
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2UUM
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![BU of 2uum by Molmil](/molmil-images/mine/2uum) | Crystal structure of C-phycocyanin from Phormidium, Lyngbya spp. (Marine) and Spirulina sp. (Fresh water) shows two different ways of energy transfer between two hexamers. | 分子名称: | BILIVERDINE IX ALPHA, C-PHYCOCYANIN ALPHA CHAIN, C-PHYCOCYANIN BETA CHAIN, ... | 著者 | Satyanarayana, L, Patel, A, Mishra, S, K Ghosh, P, Suresh, C.G. | 登録日 | 2007-03-04 | 公開日 | 2008-05-27 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Crystal Structure of C-Phycocyanin from Phormidium, Lyngbya Spp. (Marine) and Spirulina Sp. (Fresh Water) Shows Two Different Ways of Energy Transfer between Two Hexamers. To be Published
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6BQK
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1OCO
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1OCZ
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5TRR
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![BU of 5trr by Molmil](/molmil-images/mine/5trr) | Structure of Mycobacterium tuberculosis proteasome in complex with N,C-capped dipeptide PKS2169 | 分子名称: | N,N-diethyl-N~2~-(3-phenylpropanoyl)-L-asparaginyl-N-[(naphthalen-1-yl)methyl]-L-alaninamide, Proteasome subunit alpha, Proteasome subunit beta | 著者 | Hsu, H.-C, Fan, H, Singh, P.K, Wang, R, Sukenick, G, Nathan, C, Lin, G, Li, H. | 登録日 | 2016-10-27 | 公開日 | 2017-01-11 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.103 Å) | 主引用文献 | Structural Basis for the Species-Selective Binding of N,C-Capped Dipeptides to the Mycobacterium tuberculosis Proteasome. Biochemistry, 56, 2017
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5EOC
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![BU of 5eoc by Molmil](/molmil-images/mine/5eoc) | Crystal structure of Fab C2 in complex with a Cyclic variant of Hepatitis C Virus E2 epitope I | 分子名称: | ALA-CYS-GLN-LEU-ILE-ASN-THR-ASN-GLY-SER-TRP-HIS-ILE-CYS, Fab fragment (Heavy chain), Fab fragment (Light chain) | 著者 | Berisio, R, Ruggiero, A, Sandomenico, A, Patel, A.H, Ruvo, M, Vitagliano, L. | 登録日 | 2015-11-10 | 公開日 | 2016-02-10 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Generation and Characterization of Monoclonal Antibodies against a Cyclic Variant of Hepatitis C Virus E2 Epitope 412-422. J.Virol., 90, 2016
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2XHU
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![BU of 2xhu by Molmil](/molmil-images/mine/2xhu) | HCV-J4 NS5B Polymerase Orthorhombic Crystal Form | 分子名称: | RNA-directed RNA polymerase, SULFATE ION | 著者 | Harrus, D, Ahmed-El-Sayed, N, Simister, P.C, Miller, S, Triconnet, M, Hagedorn, C.H, Mahias, K, Rey, F.A, Astier-Gin, T, Bressanelli, S. | 登録日 | 2010-06-21 | 公開日 | 2010-08-04 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.287 Å) | 主引用文献 | Further Insights Into the Roles of GTP and the C- Terminus of the Hepatitis C Virus Polymerase in the Initiation of RNA Synthesis J.Biol.Chem., 285, 2010
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2XHV
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![BU of 2xhv by Molmil](/molmil-images/mine/2xhv) | HCV-J4 NS5B Polymerase Point Mutant Orthorhombic Crystal Form | 分子名称: | MAGNESIUM ION, RNA-directed RNA polymerase, SULFATE ION | 著者 | Harrus, D, Ahmed-El-Sayed, N, Simister, P.C, Miller, S, Triconnet, M, Hagedorn, C.H, Mahias, K, Rey, F.A, Astier-Gin, T, Bressanelli, S. | 登録日 | 2010-06-21 | 公開日 | 2010-08-04 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Further Insights Into the Roles of GTP and the C- Terminus of the Hepatitis C Virus Polymerase in the Initiation of RNA Synthesis J.Biol.Chem., 285, 2010
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5TZF
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![BU of 5tzf by Molmil](/molmil-images/mine/5tzf) | Structure of the BldD CTD(D116A)-(c-di-GMP)2 intermediate, form 1 | 分子名称: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), DNA-binding protein | 著者 | Schumacher, M.A. | 登録日 | 2016-11-21 | 公開日 | 2017-04-19 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | The Streptomyces master regulator BldD binds c-di-GMP sequentially to create a functional BldD2-(c-di-GMP)4 complex. Nucleic Acids Res., 45, 2017
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2XHW
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![BU of 2xhw by Molmil](/molmil-images/mine/2xhw) | HCV-J4 NS5B Polymerase Trigonal Crystal Form | 分子名称: | RNA-directed RNA polymerase | 著者 | Harrus, D, Ahmed-El-Sayed, N, Simister, P.C, Miller, S, Triconnet, M, Hagedorn, C.H, Mahias, K, Rey, F.A, Astier-Gin, T, Bressanelli, S. | 登録日 | 2010-06-21 | 公開日 | 2010-08-04 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.66 Å) | 主引用文献 | Further Insights Into the Roles of GTP and the C- Terminus of the Hepatitis C Virus Polymerase in the Initiation of RNA Synthesis J.Biol.Chem., 285, 2010
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6KXH
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![BU of 6kxh by Molmil](/molmil-images/mine/6kxh) | Alp1U_Y247F mutant in complex with Fluostatin C | 分子名称: | D-MALATE, Fluostatin C, Putative hydrolase, ... | 著者 | Zhang, L, Yingli, Z, De, B.C, Zhang, C. | 登録日 | 2019-09-11 | 公開日 | 2020-09-16 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.78039551 Å) | 主引用文献 | Mutation of an atypical oxirane oxyanion hole improves regioselectivity of the alpha / beta-fold epoxide hydrolase Alp1U. J.Biol.Chem., 295, 2020
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2YJX
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![BU of 2yjx by Molmil](/molmil-images/mine/2yjx) | Tricyclic series of Hsp90 inhibitors | 分子名称: | 1-(3H-imidazo[4,5-c]pyridin-2-yl)-3,4-dihydropyrido[2,1-a]isoindol-6(2H)-one, HEAT SHOCK PROTEIN HSP 90-ALPHA | 著者 | Dupuy, A, Vallee, F. | 登録日 | 2011-05-24 | 公開日 | 2011-10-19 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Tricyclic Series of Heat Shock Protein 90 (Hsp90) Inhibitors Part I: Discovery of Tricyclic Imidazo[4,5-C]Pyridines as Potent Inhibitors of the Hsp90 Molecular Chaperone. J.Med.Chem., 54, 2011
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4BSM
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![BU of 4bsm by Molmil](/molmil-images/mine/4bsm) | Crystal structure of the Nuclear Export Receptor CRM1 (exportin-1) lacking the C-terminal helical extension at 4.5A | 分子名称: | EXPORTIN-1 | 著者 | Dian, C, Bernaudat, F, Langer, K, Oliva, M.F, Fornerod, M, Schoehn, G, Muller, C.W, Petosa, C. | 登録日 | 2013-06-10 | 公開日 | 2013-07-31 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (4.5 Å) | 主引用文献 | Structure of a Truncation Mutant of the Nuclear Export Factor Crm1 Provides Insights Into the Auto-Inhibitory Role of its C-Terminal Helix. Structure, 21, 2013
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2SNI
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6ACB
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![BU of 6acb by Molmil](/molmil-images/mine/6acb) | Crystal structure of PDE5 in complex with inhibitor LW1805 | 分子名称: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-8-fluoro-6-{[2-(4-methylpiperazin-1-yl)ethyl]amino}-1-(1,3-thiazol-2-yl)[1]benzopyrano[2,3-c]pyrrol-9(2H)-one, MAGNESIUM ION, SULFATE ION, ... | 著者 | Wu, D, Huang, Y.D, Huang, Y.Y, Luo, H.B. | 登録日 | 2018-07-26 | 公開日 | 2018-09-19 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Optimization of Chromeno[2,3- c]pyrrol-9(2 H)-ones as Highly Potent, Selective, and Orally Bioavailable PDE5 Inhibitors: Structure-Activity Relationship, X-ray Crystal Structure, and Pharmacodynamic Effect on Pulmonary Arterial Hypertension. J. Med. Chem., 61, 2018
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3VKE
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5EQS
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![BU of 5eqs by Molmil](/molmil-images/mine/5eqs) | Crystal structure of a genotype 1a/3a chimeric HCV NS3/4A protease in complex with Asunaprevir | 分子名称: | N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-L-prolinamide, NS3 protease, ZINC ION | 著者 | Soumana, D, Yilmaz, N.K, Ali, A, Prachanronarong, K.L, Schiffer, C.A. | 登録日 | 2015-11-13 | 公開日 | 2016-11-23 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.839 Å) | 主引用文献 | Molecular and Dynamic Mechanism Underlying Drug Resistance in Genotype 3 Hepatitis C NS3/4A Protease. J.Am.Chem.Soc., 138, 2016
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