3N4D
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9BG1
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![BU of 9bg1 by Molmil](/molmil-images/mine/9bg1) | Tri-complex of Compound-3, KRAS G12V, and CypA | 分子名称: | (2R)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1S)-1-methoxyethyl]pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-methyl-2-(N-methylacetamido)butanamide (non-preferred name), GTPase KRas, MAGNESIUM ION, ... | 著者 | Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K. | 登録日 | 2024-04-18 | 公開日 | 2024-06-12 | 最終更新日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | 主引用文献 | Tri-complex of Compound-3, KRAS G12V, and CypA To be published
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9BFY
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![BU of 9bfy by Molmil](/molmil-images/mine/9bfy) | Tri-complex of Compound-12, KRAS G12C, and CypA | 分子名称: | (3R)-N-[(2S)-1-{[(1M,8R,10R,14S,21M)-22-ethyl-4-hydroxy-21-{2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]amino}-3-methyl-1-oxobutan-2-yl]-N-methyl-1-propanoylpyrrolidine-3-carboxamide (non-preferred name), CHLORIDE ION, GTPase KRas, ... | 著者 | Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K. | 登録日 | 2024-04-18 | 公開日 | 2024-06-12 | 最終更新日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | 主引用文献 | Tri-complex of Compound-12, KRAS G12C, and CypA To be published
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6S9T
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![BU of 6s9t by Molmil](/molmil-images/mine/6s9t) | Dimerization domain of Xenopus laevis LDB1 in complex with darpin 3 | 分子名称: | Darpin 3, LIM domain-binding protein 1, TETRAETHYLENE GLYCOL | 著者 | Renko, M, Schaefer, J.V, Pluckthun, A, Bienz, M. | 登録日 | 2019-07-15 | 公開日 | 2019-10-09 | 最終更新日 | 2019-10-23 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Rotational symmetry of the structured Chip/LDB-SSDP core module of the Wnt enhanceosome. Proc.Natl.Acad.Sci.USA, 116, 2019
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6S9R
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![BU of 6s9r by Molmil](/molmil-images/mine/6s9r) | Crystal structure of SSDP from D. melanogaster | 分子名称: | Sequence-specific single-stranded DNA-binding protein, isoform A | 著者 | Renko, M, Bienz, M. | 登録日 | 2019-07-15 | 公開日 | 2019-10-09 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Rotational symmetry of the structured Chip/LDB-SSDP core module of the Wnt enhanceosome. Proc.Natl.Acad.Sci.USA, 116, 2019
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3N4H
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3N4G
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![BU of 3n4g by Molmil](/molmil-images/mine/3n4g) | Crystal structure of native Cg10062 | 分子名称: | Putative tautomerase | 著者 | Guo, Y, Robertson, B.A, Hackert, M.L, Whitman, C.P. | 登録日 | 2010-05-21 | 公開日 | 2011-06-01 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | 主引用文献 | Crystal Structures of the Native and Inactivated Cg10062, a cis-3-Chloroacrylic Acid Dehalogenase from Corynebacterium glutamicum: Implications for the Evolution of cis-3-Chloroacrylic Acid Dehalogenase Activity in the Tautomerase Superfamily To be Published
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2PJS
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![BU of 2pjs by Molmil](/molmil-images/mine/2pjs) | Crystal structure of Atu1953, protein of unknown function | 分子名称: | Uncharacterized protein Atu1953, ZINC ION | 著者 | Chang, C, Skarina, T, Onopriyenko, O, Savchenko, A, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | 登録日 | 2007-04-16 | 公開日 | 2007-05-15 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Crystal structure of Glyoxalase/Bleomycin resistance protein/Dioxygenase superfamily protein Atu1953, protein of unknown function To be Published
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5FT8
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![BU of 5ft8 by Molmil](/molmil-images/mine/5ft8) | Crystal structure of the complex between the cysteine desulfurase CsdA and the sulfur-acceptor CsdE in the persulfurated state at 2.50 Angstroem resolution | 分子名称: | Cysteine desulfurase CsdA, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | 著者 | Fernandez, F.J, Arda, A, Lopez-Estepa, M, Aranda, J, Penya-Soler, E, Garces, F, Round, A, Campos-Oliva, R, Bruix, M, Coll, M, Tunon, I, Jimenez-Barbero, J, Vega, M.C. | 登録日 | 2016-01-11 | 公開日 | 2016-11-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Mechanism of Sulfur Transfer Across Protein-Protein Interfaces: The Cysteine Desulfurase Model System Acs Catalysis, 6, 2016
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5FT5
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![BU of 5ft5 by Molmil](/molmil-images/mine/5ft5) | Crystal structure of the cysteine desulfurase CsdA (persulfurated) from Escherichia coli at 2.384 Angstroem resolution | 分子名称: | DI(HYDROXYETHYL)ETHER, GLYCEROL, L(+)-TARTARIC ACID, ... | 著者 | Fernandez, F.J, Arda, A, Lopez-Estepa, M, Aranda, J, Penya-Soler, E, Garces, F, Quintana, J.F, Round, A, Campos-Oliva, R, Bruix, M, Coll, M, Tunon, I, Jimenez-Barbero, J, Vega, M.C. | 登録日 | 2016-01-11 | 公開日 | 2016-11-23 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.384 Å) | 主引用文献 | Mechanism of Sulfur Transfer Across Protein-Protein Interfaces: The Cysteine Desulfurase Model System Acs Catalysis, 6, 2016
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4MZM
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![BU of 4mzm by Molmil](/molmil-images/mine/4mzm) | MazF from S. aureus crystal form I, P212121, 2.1 A | 分子名称: | mRNA interferase MazF | 著者 | Zorzini, V, Loris, R, van Nuland, N.A.J, Cheung, A. | 登録日 | 2013-09-30 | 公開日 | 2014-05-28 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural and biophysical characterization of Staphylococcus aureus SaMazF shows conservation of functional dynamics. Nucleic Acids Res., 42, 2014
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6FLW
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![BU of 6flw by Molmil](/molmil-images/mine/6flw) | Structure of AcmJRL, a mannose binding jacalin related lectin from Ananas comosus. | 分子名称: | CITRIC ACID, Jacalin-like lectin | 著者 | Azarkan, M, Herman, R, El Mahyaoui, R, Sauvage, E, Vanden Broeck, A, Charlier, P. | 登録日 | 2018-01-29 | 公開日 | 2018-08-15 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Biochemical and structural characterization of a mannose binding jacalin-related lectin with two-sugar binding sites from pineapple (Ananas comosus) stem. Sci Rep, 8, 2018
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5KHS
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7ZJQ
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7ZS6
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![BU of 7zs6 by Molmil](/molmil-images/mine/7zs6) | Crystal structure of Apis mellifera RidA | 分子名称: | 1,2-ETHANEDIOL, MAGNESIUM ION, Reactive intermediate deaminase A, ... | 著者 | Visentin, C, Rizzi, G, Ricagno, S. | 登録日 | 2022-05-06 | 公開日 | 2022-07-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | 主引用文献 | Apis mellifera RidA, a novel member of the canonical YigF/YER057c/UK114 imine deiminase superfamily of enzymes pre-empting metabolic damage. Biochem.Biophys.Res.Commun., 616, 2022
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5KH5
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6G5N
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![BU of 6g5n by Molmil](/molmil-images/mine/6g5n) | Crystal structure of human SP100 in complex with bromodomain-focused fragment XS039818e 1-(3-Phenyl-1,2,4-oxadiazol-5-yl)methanamine | 分子名称: | (3-phenyl-1,2,4-oxadiazol-5-yl)methanamine, 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | 著者 | Talon, R.P.H, Krojer, T, Tallant, C, Nunez-Alonso, G, Fairhead, M, Szykowska, A, Collins, P, Pearce, N.M, Ng, J, MacLean, E, Wright, N, Douangamath, A, Brandao-Neto, J, Burgess-Brown, N, Huber, K, Knapp, S, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F. | 登録日 | 2018-03-29 | 公開日 | 2018-04-11 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.765 Å) | 主引用文献 | Identifying small molecule binding sites for epigenetic proteins at domain-domain interfaces Biorxiv, 2018
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5KH4
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5KH2
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5HX6
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![BU of 5hx6 by Molmil](/molmil-images/mine/5hx6) | Crystal structure of RIP1 kinase with a benzo[b][1,4]oxazepin-4-one | 分子名称: | 5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 1 | 著者 | Campobasso, N, Ward, P. | 登録日 | 2016-01-29 | 公開日 | 2016-03-02 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | 主引用文献 | DNA-Encoded Library Screening Identifies Benzo[b][1,4]oxazepin-4-ones as Highly Potent and Monoselective Receptor Interacting Protein 1 Kinase Inhibitors. J.Med.Chem., 59, 2016
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5HKN
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![BU of 5hkn by Molmil](/molmil-images/mine/5hkn) | Crystal structure de novo designed fullerene organizing protein complex with fullerene | 分子名称: | (C_{60}-I_{h})[5,6]fullerene, fullerene organizing protein | 著者 | Paul, J, Acharya, R, Kim, K.-H, Kim, Y.H, Kim, N.H, Grigoryan, G, DeGardo, W.F. | 登録日 | 2016-01-14 | 公開日 | 2016-05-04 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.761 Å) | 主引用文献 | Protein-directed self-assembly of a fullerene crystal. Nat Commun, 7, 2016
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5HKR
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![BU of 5hkr by Molmil](/molmil-images/mine/5hkr) | Crystal structure of de novo designed fullerene organising protein complex with fullerene | 分子名称: | (C_{60}-I_{h})[5,6]fullerene, fullerene organizing protein | 著者 | Acharya, R, Kim, Y.H, Grigoryan, G, DeGardo, W.F. | 登録日 | 2016-01-14 | 公開日 | 2016-05-04 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Protein-directed self-assembly of a fullerene crystal. Nat Commun, 7, 2016
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5L19
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5HUU
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![BU of 5huu by Molmil](/molmil-images/mine/5huu) | Structure of Candida albicans trehalose-6-phosphate synthase in complex with UDP and glucose-6-phosphate | 分子名称: | 6-O-phosphono-alpha-D-glucopyranose, Alpha,alpha-trehalose-phosphate synthase [UDP-forming], URIDINE-5'-DIPHOSPHATE | 著者 | Miao, Y, Brennan, R.G. | 登録日 | 2016-01-27 | 公開日 | 2017-05-03 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | 主引用文献 | Structural and In Vivo Studies on Trehalose-6-Phosphate Synthase from Pathogenic Fungi Provide Insights into Its Catalytic Mechanism, Biological Necessity, and Potential for Novel Antifungal Drug Design. MBio, 8, 2017
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5HVM
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![BU of 5hvm by Molmil](/molmil-images/mine/5hvm) | Structure of Aspergillus fumigatus trehalose-6-phosphate synthase A in complex with UDP and validoxylamine A | 分子名称: | (1S,2S,3R,6S)-4-(HYDROXYMETHYL)-6-{[(1S,2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-(HYDROXYMETHYL)CYCLOHEXYL]AMINO}CYCLOHEX-4-ENE-1,2,3-TRIOL, Alpha,alpha-trehalose-phosphate synthase (UDP-forming), URIDINE-5'-DIPHOSPHATE | 著者 | Miao, Y, Brennan, R.G. | 登録日 | 2016-01-28 | 公開日 | 2017-05-03 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.815 Å) | 主引用文献 | Structural and In Vivo Studies on Trehalose-6-Phosphate Synthase from Pathogenic Fungi Provide Insights into Its Catalytic Mechanism, Biological Necessity, and Potential for Novel Antifungal Drug Design. MBio, 8, 2017
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