4V7M
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6D9X
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![BU of 6d9x by Molmil](/molmil-images/mine/6d9x) | Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design | 分子名称: | 2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole, SODIUM ION, WD repeat-containing protein 5 | 著者 | Phan, J, Fesik, S.W. | 登録日 | 2018-04-30 | 公開日 | 2018-09-05 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Discovery of Potent 2-Aryl-6,7-dihydro-5 H-pyrrolo[1,2- a]imidazoles as WDR5-WIN-Site Inhibitors Using Fragment-Based Methods and Structure-Based Design. J. Med. Chem., 61, 2018
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5K58
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7XLD
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![BU of 7xld by Molmil](/molmil-images/mine/7xld) | Crystal structure of IsdH linker-NEAT3 bound to a nanobody (VHH) | 分子名称: | Iron-regulated surface determinant protein H, MAGNESIUM ION, Nanobody VHH6, ... | 著者 | Caaveiro, J.M.M, Valenciano-Bellido, S, Tsumoto, K. | 登録日 | 2022-04-21 | 公開日 | 2023-05-31 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Targeting hemoglobin receptors IsdH and IsdB of Staphylococcus aureus with a single VHH antibody inhibits bacterial growth. J.Biol.Chem., 299, 2023
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5K7A
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![BU of 5k7a by Molmil](/molmil-images/mine/5k7a) | Crystal structure of laccase fron Thermus thermophilus HB27 (sodium nitrate 1.5 min) | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, COPPER (II) ION, Laccase | 著者 | Diaz-Vilchis, A, Ruiz-Arellano, R.R, Rosas-Benitez, E, Rudino-Pinera, E. | 登録日 | 2016-05-25 | 公開日 | 2017-06-07 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Preserving metalic sites affected by radiation damage: the CuT2 case in Thermus thermophilus multicopper oxidase To be Published
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6D4F
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![BU of 6d4f by Molmil](/molmil-images/mine/6d4f) | Crystal structure of PTP epsilon D2 domain (A455N/V457Y/E597D) | 分子名称: | PENTAETHYLENE GLYCOL, Receptor-type tyrosine-protein phosphatase epsilon | 著者 | Lountos, G.T, Raran-Kurussi, S, Zhao, B.M, Dyas, B.K, Austin, B.P, Burke Jr, T.R, Ulrich, R.G, Waugh, D.S. | 登録日 | 2018-04-18 | 公開日 | 2018-10-17 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.909 Å) | 主引用文献 | High-resolution crystal structures of the D1 and D2 domains of protein tyrosine phosphatase epsilon for structure-based drug design. Acta Crystallogr D Struct Biol, 74, 2018
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6DBK
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![BU of 6dbk by Molmil](/molmil-images/mine/6dbk) | Tyk2 with compound 8 | 分子名称: | 4-({4-[(1S,4S)-5-(cyanoacetyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-2-yl}amino)-N-ethylbenzamide, Non-receptor tyrosine-protein kinase TYK2 | 著者 | Vajdos, F.F. | 登録日 | 2018-05-03 | 公開日 | 2018-08-29 | 最終更新日 | 2018-11-07 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Dual Inhibition of TYK2 and JAK1 for the Treatment of Autoimmune Diseases: Discovery of (( S)-2,2-Difluorocyclopropyl)((1 R,5 S)-3-(2-((1-methyl-1 H-pyrazol-4-yl)amino)pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (PF-06700841). J. Med. Chem., 61, 2018
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6D4R
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![BU of 6d4r by Molmil](/molmil-images/mine/6d4r) | M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 18 (VCC399134) | 分子名称: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, hydroxy(3-{4-[(isoquinolin-5-yl)sulfonyl]piperazine-1-carbonyl}phenyl)oxoammonium | 著者 | Ascher, D.B, Pacitto, A, Blundell, T.L. | 登録日 | 2018-04-18 | 公開日 | 2019-05-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | 主引用文献 | Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH. Eur.J.Med.Chem., 174, 2019
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6D55
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![BU of 6d55 by Molmil](/molmil-images/mine/6d55) | Ras:SOS:Ras in complex with a small molecule activator | 分子名称: | 6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole, FORMIC ACID, GLYCEROL, ... | 著者 | Phan, J, Hodges, T, Fesik, S.W. | 登録日 | 2018-04-19 | 公開日 | 2018-09-19 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS. J. Med. Chem., 61, 2018
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5K92
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![BU of 5k92 by Molmil](/molmil-images/mine/5k92) | Crystal Structure of an apo Tris-thiolate Binding Site in a de novo Three Stranded Coiled Coil Peptide | 分子名称: | Apo-(CSL16C)3, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Ruckthong, L, Zastrow, M.L, Stuckey, J.A, Pecoraro, V.L. | 登録日 | 2016-05-31 | 公開日 | 2016-08-31 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | A Crystallographic Examination of Predisposition versus Preorganization in de Novo Designed Metalloproteins. J.Am.Chem.Soc., 138, 2016
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4U27
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![BU of 4u27 by Molmil](/molmil-images/mine/4u27) | Crystal structure of the E. coli ribosome bound to flopristin and linopristin. | 分子名称: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | 著者 | Noeske, J, Huang, J, Olivier, N.B, Giacobbe, R.A, Zambrowski, M, Cate, J.H.D. | 登録日 | 2014-07-16 | 公開日 | 2014-07-30 | 最終更新日 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Synergy of streptogramin antibiotics occurs independently of their effects on translation. Antimicrob.Agents Chemother., 58, 2014
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6D5Y
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6D74
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6D53
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6D6B
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6D50
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![BU of 6d50 by Molmil](/molmil-images/mine/6d50) | Bacteroides uniforms beta-glucuronidase 2 bound to D-glucaro-1,5-lactone | 分子名称: | (2S,3S,4S,5R)-3,4,5-trihydroxy-6-oxo-oxane-2-carboxylic acid, CALCIUM ION, Glycosyl hydrolases family 2, ... | 著者 | Walton, W.G, Pellock, S.J, Redinbo, M.R. | 登録日 | 2018-04-19 | 公開日 | 2018-10-17 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Three structurally and functionally distinct beta-glucuronidases from the human gut microbeBacteroides uniformis. J. Biol. Chem., 293, 2018
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6D7N
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6D7S
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6D8O
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6D6C
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7XEX
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![BU of 7xex by Molmil](/molmil-images/mine/7xex) | Crystal strucutre of apoCasDinG | 分子名称: | CasDinG | 著者 | Zhang, J.T, Cui, N, Liu, Y.R, Huang, H.D, Jia, N. | 登録日 | 2022-03-31 | 公開日 | 2023-07-26 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Type IV-A CRISPR-Csf complex: Assembly, dsDNA targeting, and CasDinG recruitment. Mol.Cell, 83, 2023
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7XF1
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![BU of 7xf1 by Molmil](/molmil-images/mine/7xf1) | Crystal strucutre of apoCasDinG in complex with ssDNA | 分子名称: | CasDinG, DNA (5'-D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3') | 著者 | Zhang, J.T, Cui, N, Liu, Y.R, Huang, H.D, Jia, N. | 登録日 | 2022-03-31 | 公開日 | 2023-07-26 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Type IV-A CRISPR-Csf complex: Assembly, dsDNA targeting, and CasDinG recruitment. Mol.Cell, 83, 2023
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5KD0
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6D4U
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![BU of 6d4u by Molmil](/molmil-images/mine/6d4u) | M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 27 (VCC663664) | 分子名称: | 2-(2,4-dimethoxyphenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase | 著者 | Ascher, D.B, Pacitto, A, Blundell, T.L. | 登録日 | 2018-04-18 | 公開日 | 2019-05-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH. Eur.J.Med.Chem., 174, 2019
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6D5U
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