5WRQ
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![BU of 5wrq by Molmil](/molmil-images/mine/5wrq) | Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor | 分子名称: | 5-[[2,4-bis(oxidanylidene)quinazolin-1-yl]methyl]-2-fluoranyl-N-[(3R)-1-(3-methylbutyl)pyrrolidin-3-yl]benzamide, Poly [ADP-ribose] polymerase 1 | 著者 | Cao, R, Wang, Y.L, Zhou, J, Huang, N, Xu, B.L. | 登録日 | 2016-12-03 | 公開日 | 2017-01-25 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor To Be Published
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5V9U
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![BU of 5v9u by Molmil](/molmil-images/mine/5v9u) | Crystal Structure of small molecule ARS-1620 covalently bound to K-Ras G12C | 分子名称: | (S)-1-{4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl] piperazin-1-yl}propan-1-one, CALCIUM ION, GLYCEROL, ... | 著者 | Janes, M.R, Zhang, J, Li, L.-S, Hansen, R, Peters, U, Guo, X, Chen, Y, Babbar, A, Firdaus, S.J, Feng, J, Chen, J.H, Li, S, Brehmer, D, Darjania, L, Li, S, Long, Y.O, Thach, C, Liu, Y, Zarieh, A, Ely, T, Kucharski, J.M, Kessler, L.V, Wu, T, Wang, Y, Yao, Y, Deng, X, Zarrinkar, P, Dashyant, D, Lorenzi, M.V, Hu-Lowe, D, Patricelli, M.P, Ren, P, Liu, Y. | 登録日 | 2017-03-23 | 公開日 | 2018-02-07 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | 主引用文献 | Targeting KRAS Mutant Cancers with a Covalent G12C-Specific Inhibitor. Cell, 172, 2018
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5VA3
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8BPC
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![BU of 8bpc by Molmil](/molmil-images/mine/8bpc) | Cryo-EM structure of the human SIN3B histone deacetylase core complex with SAHA at 2.8 Angstrom | 分子名称: | CALCIUM ION, Histone deacetylase 2, Isoform 2 of Paired amphipathic helix protein Sin3b, ... | 著者 | Wan, M.S.M, Muhammad, R, Koliopolous, M.G, Alfieri, C. | 登録日 | 2022-11-16 | 公開日 | 2023-05-10 | 最終更新日 | 2023-05-17 | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | 主引用文献 | Mechanism of assembly, activation and lysine selection by the SIN3B histone deacetylase complex. Nat Commun, 14, 2023
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5V2W
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![BU of 5v2w by Molmil](/molmil-images/mine/5v2w) | Crystal structure of a LuxS from salmonella typhi | 分子名称: | S-ribosylhomocysteine lyase, ZINC ION | 著者 | Perumal, P, Raina, R, Manoj Kumar, P, Arockisamy, A, SundaraBaalaji, N. | 登録日 | 2017-03-06 | 公開日 | 2017-08-23 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal structure of a LuxS from salmonella typhi To Be Published
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5WNW
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![BU of 5wnw by Molmil](/molmil-images/mine/5wnw) | Chaperone Spy bound to Im7 6-45 ensemble | 分子名称: | CHLORIDE ION, Colicin-E7 immunity protein, IMIDAZOLE, ... | 著者 | Horowitz, S, Salmon, L, Koldewey, P, Ahlstrom, L.S, Martin, R, Xu, Q, Afonine, P.V, Trievel, R.C, Brooks, C.L, Bardwell, J.C.A. | 登録日 | 2017-08-01 | 公開日 | 2017-08-16 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Visualizing chaperone-assisted protein folding. Nat. Struct. Mol. Biol., 23, 2016
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5UKZ
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![BU of 5ukz by Molmil](/molmil-images/mine/5ukz) | NMR Solution structure of chemically synthesized antilisterial Pediocin PA-1 M31L analog. | 分子名称: | Bacteriocin pediocin PA-1 M31L | 著者 | Bedard, F, Hammami, R, Zirah, S, Rebuffat, S, Fliss, I, Biron, E. | 登録日 | 2017-01-23 | 公開日 | 2018-06-27 | 実験手法 | SOLUTION NMR | 主引用文献 | Synthesis, antimicrobial activity and conformational analysis of the class IIa bacteriocin pediocin PA-1 and analogs thereof. Sci Rep, 8, 2018
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5WW0
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![BU of 5ww0 by Molmil](/molmil-images/mine/5ww0) | Crystal structure of Set7, a novel histone methyltransferase in Schizossacharomyces pombe | 分子名称: | SET domain-containing protein 7, SULFATE ION | 著者 | Mevius, D.E.H.F, Shen, Y, Morishita, M, Carrozzini, B, Caliandro, R, di Luccio, E. | 登録日 | 2016-12-30 | 公開日 | 2017-12-06 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Set7 Is a H3K37 Methyltransferase in Schizosaccharomyces pombe and Is Required for Proper Gametogenesis. Structure, 27, 2019
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1KQX
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![BU of 1kqx by Molmil](/molmil-images/mine/1kqx) | Crystal structure of apo-CRBP from zebrafish | 分子名称: | Cellular retinol-binding protein | 著者 | Calderone, V, Folli, C, Marchesani, A, Berni, R, Zanotti, G. | 登録日 | 2002-01-08 | 公開日 | 2002-08-28 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Identification and structural analysis of a zebrafish apo and holo cellular retinol-binding protein. J.Mol.Biol., 321, 2002
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5ULW
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1KQW
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![BU of 1kqw by Molmil](/molmil-images/mine/1kqw) | Crystal structure of holo-CRBP from zebrafish | 分子名称: | Cellular retinol-binding protein, RETINOL | 著者 | Calderone, V, Folli, C, Marchesani, A, Berni, R, Zanotti, G. | 登録日 | 2002-01-08 | 公開日 | 2002-08-28 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | 主引用文献 | Identification and structural analysis of a zebrafish apo and holo cellular retinol-binding protein. J.Mol.Biol., 321, 2002
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1KG2
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![BU of 1kg2 by Molmil](/molmil-images/mine/1kg2) | Crystal structure of the core fragment of MutY from E.coli at 1.2A resolution | 分子名称: | A/G-specific adenine glycosylase, GLYCEROL, IRON/SULFUR CLUSTER, ... | 著者 | Gilboa, R, Kilshtein, A, Zharkov, D.O, Kycia, J.H, Gerchman, S.E, Grollman, A.P, Shoham, G. | 登録日 | 2001-11-26 | 公開日 | 2002-11-26 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Analysis of the E.coli MutY DNA glycosylase structure and function by site-directed mutagenesis To be Published
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8BS9
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1KG7
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![BU of 1kg7 by Molmil](/molmil-images/mine/1kg7) | Crystal Structure of the E161A mutant of E.coli MutY (core fragment) | 分子名称: | A/G-specific adenine glycosylase, GLYCEROL, IRON/SULFUR CLUSTER, ... | 著者 | Gilboa, R, Kilshtein, A, Zharkov, D.O, Kycia, J.H, Gerchman, S.E, Grollman, A.P, Shoham, G. | 登録日 | 2001-11-26 | 公開日 | 2002-11-26 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Analysis of the E.coli MutY DNA glycosylase structure and function by site-directed mutagenesis To be Published
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1NUC
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![BU of 1nuc by Molmil](/molmil-images/mine/1nuc) | STAPHYLOCOCCAL NUCLEASE, V23C VARIANT | 分子名称: | CALCIUM ION, STAPHYLOCOCCAL NUCLEASE, THYMIDINE-3',5'-DIPHOSPHATE | 著者 | Wynn, R, Harkins, P.C, Richards, F.M, Fox, R.O. | 登録日 | 1997-02-15 | 公開日 | 1997-06-16 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Mobile unnatural amino acid side chains in the core of staphylococcal nuclease. Protein Sci., 5, 1996
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5WS1
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![BU of 5ws1 by Molmil](/molmil-images/mine/5ws1) | Structure of human PARP1 catalytic domain bound to a benzoimidazole inhibitor | 分子名称: | 2-[(3R)-3-azanylpyrrolidin-1-yl]carbonyl-1H-benzimidazole-4-carboxamide, Poly [ADP-ribose] polymerase 1 | 著者 | Cao, R, Wang, Y.L, Zhou, J, Huang, N, Xu, B.L. | 登録日 | 2016-12-04 | 公開日 | 2017-01-25 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure of human PARP1 catalytic domain bound to a benzoimidazole inhibitor To Be Published
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5WTC
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![BU of 5wtc by Molmil](/molmil-images/mine/5wtc) | Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor | 分子名称: | 1-[[4-fluoranyl-3-[4-[2,2,2-tris(fluoranyl)ethyl]piperazin-1-yl]carbonyl-phenyl]methyl]quinazoline-2,4-dione, Poly [ADP-ribose] polymerase 1 | 著者 | Cao, R, Wang, Y.L, Zhou, J, Huang, N, Xu, B.L. | 登録日 | 2016-12-11 | 公開日 | 2017-01-25 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor To Be Published
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8BS3
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![BU of 8bs3 by Molmil](/molmil-images/mine/8bs3) | Structure of USP36 in complex with Fubi-PA | 分子名称: | 40S ribosomal protein S30, Ubiquitin carboxyl-terminal hydrolase 36, ZINC ION, ... | 著者 | O'Dea, R, Gersch, M. | 登録日 | 2022-11-24 | 公開日 | 2023-07-12 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Molecular basis for ubiquitin/Fubi cross-reactivity in USP16 and USP36. Nat.Chem.Biol., 19, 2023
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8BNR
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![BU of 8bnr by Molmil](/molmil-images/mine/8bnr) | Escherichia coli anaerobic fatty acid beta oxidation trifunctional enzyme (anEcTFE) octameric complex | 分子名称: | 3-ketoacyl-CoA thiolase FadI, Fatty acid oxidation complex subunit alpha | 著者 | Sah-Teli, S.K, Pinkas, M, Novacek, J, Venkatesan, R. | 登録日 | 2022-11-14 | 公開日 | 2023-05-17 | 最終更新日 | 2023-11-29 | 実験手法 | ELECTRON MICROSCOPY (10.3 Å) | 主引用文献 | Structural basis for different membrane-binding properties of E. coli anaerobic and human mitochondrial beta-oxidation trifunctional enzymes. Structure, 31, 2023
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5WG3
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![BU of 5wg3 by Molmil](/molmil-images/mine/5wg3) | Human GRK2 in complex with Gbetagamma subunits and CCG258748 | 分子名称: | 2-fluoro-5-[(3S,4R)-3-{[(1H-indazol-5-yl)oxy]methyl}piperidin-4-yl]-N-[(1H-pyrazol-3-yl)methyl]benzamide, Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | 著者 | Bouley, R, Tesmer, J.J.G. | 登録日 | 2017-07-13 | 公開日 | 2017-12-27 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.896 Å) | 主引用文献 | Structural Determinants Influencing the Potency and Selectivity of Indazole-Paroxetine Hybrid G Protein-Coupled Receptor Kinase 2 Inhibitors. Mol. Pharmacol., 92, 2017
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5WZE
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![BU of 5wze by Molmil](/molmil-images/mine/5wze) | The structure of Pseudomonas aeruginosa aminopeptidase PepP | 分子名称: | 1,2-ETHANEDIOL, ALANINE, Aminopeptidase P, ... | 著者 | Bao, R, Peng, C.T, Liu, L, He, L.H, Li, C.C, Li, T, Shen, Y.L, Zhu, Y.B, Song, Y.J. | 登録日 | 2017-01-17 | 公開日 | 2018-01-17 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.783 Å) | 主引用文献 | Structure-Function Relationship of Aminopeptidase P from Pseudomonas aeruginosa. Front Microbiol, 8, 2017
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5URF
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![BU of 5urf by Molmil](/molmil-images/mine/5urf) | The structure of human bocavirus 1 | 分子名称: | viral protein 3 | 著者 | Mietzsch, M, Kailasan, S, Garrison, J, Ilyas, M, Chipman, P, Kandola, K, Jansen, M, Spear, J, Sousa, D, McKenna, R, Soderlund-Venermo, M, Baker, T, Agbandje-McKenna, M. | 登録日 | 2017-02-10 | 公開日 | 2017-03-29 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | Structural Insights into Human Bocaparvoviruses. J. Virol., 91, 2017
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5X0K
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8BW5
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![BU of 8bw5 by Molmil](/molmil-images/mine/8bw5) | X-ray structure of the complex between human alpha thrombin and the duplex/quadruplex aptamer M08s-1_41mer | 分子名称: | D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, M08s-1_41mer, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Troisi, R, Napolitano, V, Sica, F. | 登録日 | 2022-12-06 | 公開日 | 2023-07-19 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Steric hindrance and structural flexibility shape the functional properties of a guanine-rich oligonucleotide. Nucleic Acids Res., 51, 2023
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5X1B
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![BU of 5x1b by Molmil](/molmil-images/mine/5x1b) | CO bound cytochrome c oxidase at 20 nsec after pump laser irradiation to release CO from O2 reduction center | 分子名称: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | 著者 | Shimada, A, Kubo, M, Baba, S, Yamashita, K, Hirata, K, Ueno, G, Nomura, T, Kimura, T, Shinzawa-Itoh, K, Baba, J, Hatano, K, Eto, Y, Miyamoto, A, Murakami, H, Kumasaka, T, Owada, S, Tono, K, Yabashi, M, Yamaguchi, Y, Yanagisawa, S, Sakaguchi, M, Ogura, T, Komiya, R, Yan, J, Yamashita, E, Yamamoto, M, Ago, H, Yoshikawa, S, Tsukihara, T. | 登録日 | 2017-01-25 | 公開日 | 2017-08-09 | 最終更新日 | 2017-12-06 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | A nanosecond time-resolved XFEL analysis of structural changes associated with CO release from cytochrome c oxidase. Sci Adv, 3, 2017
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