7OMZ
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6FKZ
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6PFC
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![BU of 6pfc by Molmil](/molmil-images/mine/6pfc) | Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-methoxyphenyl)acetic acid | 分子名称: | 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, METHOTREXATE, ... | 著者 | Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S. | 登録日 | 2019-06-21 | 公開日 | 2019-10-16 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.689 Å) | 主引用文献 | Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors. Eur.J.Med.Chem., 183, 2019
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7EUW
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![BU of 7euw by Molmil](/molmil-images/mine/7euw) | X-ray structure of high-strength hydrogel-grown FABP3 crystal soaked in 50% DMSO solution containing 4-[2-[1-(4-bromophenyl)-5-phenyl-1H-pyrazol-3-yl]phenoxy] (HA174) | 分子名称: | 4-[2-[1-(4-bromophenyl)-5-phenyl-pyrazol-3-yl]phenoxy]butanoic acid, Fatty acid-binding protein, heart, ... | 著者 | Sugiyama, S, Kakinouchi, K, Nakano, R, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M. | 登録日 | 2021-05-19 | 公開日 | 2022-05-25 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | X-ray structure of the human heart fatty acid-binding protein complexed with 4-[2-[1-(4-bromophenyl)-5-phenyl-1H-pyrazol-3-yl]phenoxy] (HA176) To Be Published
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5GWT
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![BU of 5gwt by Molmil](/molmil-images/mine/5gwt) | 4-hydroxyisoleucine dehydrogenase mutant complexed with NADH and succinate | 分子名称: | 4-hydroxyisolecuine dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SUCCINIC ACID | 著者 | Shi, X, Miyakawa, T, Nakamura, A, Tanokura, M. | 登録日 | 2016-09-13 | 公開日 | 2017-10-25 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Engineering a short-chain dehydrogenase/reductase for the stereoselective production of (2S,3R,4S)-4-hydroxyisoleucine with three asymmetric centers. Sci Rep, 7, 2017
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6HOS
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![BU of 6hos by Molmil](/molmil-images/mine/6hos) | Structure of the KpFlo2 adhesin domain in complex with glycerol | 分子名称: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, BA75_04148T0, CALCIUM ION, ... | 著者 | Essen, L.-O, Kock, M, Veelders, M. | 登録日 | 2018-09-18 | 公開日 | 2018-10-24 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Structural and Functional Characterization of PA14/Flo5-Like Adhesins FromKomagataella pastoris. Front Microbiol, 9, 2018
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5UHI
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![BU of 5uhi by Molmil](/molmil-images/mine/5uhi) | Structure of RORgt bound to | 分子名称: | (R)-(4-chloro-2-methoxy-3-{[4-(1H-pyrazol-1-yl)phenyl]methyl}quinolin-6-yl)(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methanol, Nuclear receptor ROR-gamma | 著者 | Spurlino, J, Abad, M. | 登録日 | 2017-01-11 | 公開日 | 2017-04-05 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (3.198 Å) | 主引用文献 | Identification and structure activity relationships of quinoline tertiary alcohol modulators of ROR gamma t. Bioorg. Med. Chem. Lett., 27, 2017
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6TA1
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![BU of 6ta1 by Molmil](/molmil-images/mine/6ta1) | Fatty acid synthase of S. cerevisiae | 分子名称: | FLAVIN MONONUCLEOTIDE, Fatty acid synthase subunit alpha, Fatty acid synthase subunit beta, ... | 著者 | Vonck, J, D'Imprima, E, Joppe, M, Grininger, M. | 登録日 | 2019-10-29 | 公開日 | 2019-11-06 | 最終更新日 | 2020-05-20 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | The resolution revolution in cryoEM requires high-quality sample preparation: a rapid pipeline to a high-resolution map of yeast fatty acid synthase. Iucrj, 7, 2020
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6FJE
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7ZQW
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![BU of 7zqw by Molmil](/molmil-images/mine/7zqw) | Structure of the SARS-CoV-1 main protease in complex with AG7404 | 分子名称: | 3C-like proteinase nsp5, ethyl (4R)-4-({(2S)-2-[3-{[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino}-2-oxopyridin-1(2H)-yl]pent-4-ynoyl}amino)-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate | 著者 | Muriel-Goni, S, Fabrega-Ferrer, M, Herrera-Morande, A, Coll, M. | 登録日 | 2022-05-03 | 公開日 | 2022-12-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | 主引用文献 | Structure and inhibition of SARS-CoV-1 and SARS-CoV-2 main proteases by oral antiviral compound AG7404. Antiviral Res., 208, 2022
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7ZQV
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![BU of 7zqv by Molmil](/molmil-images/mine/7zqv) | Structure of the SARS-CoV-2 main protease in complex with AG7404 | 分子名称: | 3C-like proteinase nsp5, ethyl (4R)-4-({(2S)-2-[3-{[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino}-2-oxopyridin-1(2H)-yl]pent-4-ynoyl}amino)-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate | 著者 | Fabrega-Ferrer, M, Herrera-Morande, A, Perez-Saavedra, J, Coll, M. | 登録日 | 2022-05-03 | 公開日 | 2022-12-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | Structure and inhibition of SARS-CoV-1 and SARS-CoV-2 main proteases by oral antiviral compound AG7404. Antiviral Res., 208, 2022
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1YKA
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![BU of 1yka by Molmil](/molmil-images/mine/1yka) | Solution structure of Grx4, a monothiol glutaredoxin from E. coli. | 分子名称: | monothiol glutaredoxin ydhD | 著者 | Fladvad, M, Bellanda, M, Fernandes, A.P, Andresen, C, Mammi, S, Holmgren, A, Vlamis-Gardikas, A, Sunnerhagen, M. | 登録日 | 2005-01-17 | 公開日 | 2005-04-26 | 最終更新日 | 2024-05-29 | 実験手法 | SOLUTION NMR | 主引用文献 | Molecular mapping of functionalities in the solution structure of reduced Grx4, a monothiol glutaredoxin from Escherichia coli. J.Biol.Chem., 280, 2005
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7JY5
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![BU of 7jy5 by Molmil](/molmil-images/mine/7jy5) | Structure of human p97 in complex with ATPgammaS and Npl4/Ufd1 (masked around p97) | 分子名称: | MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Transitional endoplasmic reticulum ATPase | 著者 | Pan, M, Yu, Y, Liu, L, Zhao, M. | 登録日 | 2020-08-28 | 公開日 | 2021-01-20 | 最終更新日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (2.89 Å) | 主引用文献 | Seesaw conformations of Npl4 in the human p97 complex and the inhibitory mechanism of a disulfiram derivative. Nat Commun, 12, 2021
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7OVR
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![BU of 7ovr by Molmil](/molmil-images/mine/7ovr) | Mature HIV-1 matrix structure | 分子名称: | HIV-1 matrix, MYRISTIC ACID, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate | 著者 | Qu, K, Ke, Z.L, Zila, V, Anders-Oesswein, M, Glass, B, Muecksch, F, Mueller, R, Schultz, C, Mueller, B, Kraeusslich, H.G, Briggs, J.A.G. | 登録日 | 2021-06-15 | 公開日 | 2021-08-18 | 実験手法 | ELECTRON MICROSCOPY (7 Å) | 主引用文献 | Maturation of the matrix and viral membrane of HIV-1. Science, 373, 2021
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6W5D
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![BU of 6w5d by Molmil](/molmil-images/mine/6w5d) | Crystal Structure of Fab RSB1 | 分子名称: | RSB1 Fab Heavy Chain, RSB1 Fab Light Chain | 著者 | Harshbarger, W, Chandramouli, S, Malito, M. | 登録日 | 2020-03-13 | 公開日 | 2020-11-11 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Convergent structural features of respiratory syncytial virus neutralizing antibodies and plasticity of the site V epitope on prefusion F. Plos Pathog., 16, 2020
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1Y9F
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![BU of 1y9f by Molmil](/molmil-images/mine/1y9f) | Crystal structure of the A-DNA GCGTAT*CGC with a 2'-O-allyl Thymidine (T*) | 分子名称: | 5'-D(*GP*CP*GP*TP*AP*(2AT)P*AP*CP*GP*C)-3') | 著者 | Egli, M, Minasov, G, Tereshko, V, Pallan, P.S, Teplova, M, Inamati, G.B, Lesnik, E.A, Owens, S.R, Ross, B.S, Prakash, T.P, Manoharan, M. | 登録日 | 2004-12-15 | 公開日 | 2005-06-28 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Probing the Influence of Stereoelectronic Effects on the Biophysical Properties of Oligonucleotides: Comprehensive Analysis of the RNA Affinity, Nuclease Resistance, and Crystal Structure of Ten 2'-O-Ribonucleic Acid Modifications. Biochemistry, 44, 2005
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7OVQ
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![BU of 7ovq by Molmil](/molmil-images/mine/7ovq) | Immature HIV-1 matrix structure | 分子名称: | Gag polyprotein, MYRISTIC ACID | 著者 | Qu, K, Ke, Z.L, Zila, V, Anders-Oesswein, M, Glass, B, Muecksch, F, Mueller, R, Schultz, C, Mueller, B, Kraeusslich, H.G, Briggs, J.A.G. | 登録日 | 2021-06-15 | 公開日 | 2021-08-18 | 実験手法 | ELECTRON MICROSCOPY (7.2 Å) | 主引用文献 | Maturation of the matrix and viral membrane of HIV-1. Science, 373, 2021
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6HFM
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7LTM
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![BU of 7ltm by Molmil](/molmil-images/mine/7ltm) | Hum8 capsid | 分子名称: | 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, Capsid protein | 著者 | Mietzsch, M, Agbandje-McKenna, M. | 登録日 | 2021-02-19 | 公開日 | 2021-07-07 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (2.49 Å) | 主引用文献 | Receptor Switching in Newly Evolved Adeno-associated Viruses. J.Virol., 95, 2021
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5FP5
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![BU of 5fp5 by Molmil](/molmil-images/mine/5fp5) | Structure of cyclin-dependent kinase 2 with small-molecule ligand 4- fluorobenzoic acid (AT222) in an alternate binding site. | 分子名称: | 4-fluorobenzoic acid, ACETYL GROUP, CYCLIN-DEPENDENT KINASE 2 | 著者 | Jhoti, H, Ludlow, R.F, O'Reilly, M, Saini, H.K, Tickle, I.J, Verdonk, M. | 登録日 | 2015-11-27 | 公開日 | 2015-12-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | 主引用文献 | Detection of Secondary Binding Sites in Proteins Using Fragment Screening. Proc.Natl.Acad.Sci.USA, 112, 2015
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5A0N
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![BU of 5a0n by Molmil](/molmil-images/mine/5a0n) | N-terminal thioester domain of protein F2 like fibronectin-binding protein from Streptococcus pneumoniae | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, PROTEIN F2 LIKE FIBRONECTIN-BINDING PROTEIN | 著者 | Walden, M, Edwards, J.M, Dziewulska, A.M, Kan, S.-Y, Schwarz-Linek, U, Banfield, M.J. | 登録日 | 2015-04-21 | 公開日 | 2015-06-03 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | An internal thioester in a pathogen surface protein mediates covalent host binding. Elife, 4, 2015
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5FP6
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![BU of 5fp6 by Molmil](/molmil-images/mine/5fp6) | Structure of cyclin-dependent kinase 2 with small-molecule ligand 3-(4,7-dichloro-1H-indol-3-yl)prop-2-yn-1-ol (AT17833) in an alternate binding site. | 分子名称: | 3-(4,7-dichloro-1H-indol-3-yl)prop-2-yn-1-ol, CYCLIN-DEPENDENT KINASE 2 | 著者 | Jhoti, H, Ludlow, R.F, O'Reilly, M, Saini, H.K, Tickle, I.J, Verdonk, M. | 登録日 | 2015-11-27 | 公開日 | 2015-12-23 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Detection of Secondary Binding Sites in Proteins Using Fragment Screening. Proc.Natl.Acad.Sci.USA, 112, 2015
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5JL4
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4LAU
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![BU of 4lau by Molmil](/molmil-images/mine/4lau) | Crystal structure of human AR complexed with NADP+ and {2-[(4-bromobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid | 分子名称: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {2-[(4-bromobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid | 著者 | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A. | 登録日 | 2013-06-20 | 公開日 | 2014-04-30 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (0.843 Å) | 主引用文献 | Modulation of aldose reductase inhibition by halogen bond tuning. Acs Chem.Biol., 8, 2013
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1A03
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![BU of 1a03 by Molmil](/molmil-images/mine/1a03) | THE THREE-DIMENSIONAL STRUCTURE OF CA2+-BOUND CALCYCLIN: IMPLICATIONS FOR CA2+-SIGNAL TRANSDUCTION BY S100 PROTEINS, NMR, 20 STRUCTURES | 分子名称: | CALCYCLIN (RABBIT, CA2+) | 著者 | Sastry, M, Ketchem, R.R, Crescenzi, O, Weber, C, Lubienski, M.J, Hidaka, H, Chazin, W.J. | 登録日 | 1997-12-08 | 公開日 | 1999-03-02 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | The three-dimensional structure of Ca(2+)-bound calcyclin: implications for Ca(2+)-signal transduction by S100 proteins. Structure, 6, 1998
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