8P7F
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![BU of 8p7f by Molmil](/molmil-images/mine/8p7f) | The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes | 分子名称: | Parathion hydrolase, ZINC ION | 著者 | Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L. | 登録日 | 2023-05-30 | 公開日 | 2023-11-01 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase. Acta Crystallogr D Struct Biol, 79, 2023
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8QQ4
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![BU of 8qq4 by Molmil](/molmil-images/mine/8qq4) | LTA4 hydrolase in complex with compound 6(R) | 分子名称: | (2R)-2-azanyl-3-[5-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)oxyphenyl]-1,2,3,4-tetrazol-2-yl]propan-1-ol, ACETATE ION, IMIDAZOLE, ... | 著者 | Srinivas, H. | 登録日 | 2023-10-03 | 公開日 | 2023-12-06 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Discovery of Amino Alcohols as Highly Potent, Selective, and Orally Efficacious Inhibitors of Leukotriene A4 Hydrolase. J.Med.Chem., 66, 2023
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8QPN
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![BU of 8qpn by Molmil](/molmil-images/mine/8qpn) | LTA4 hydrolase in complex with compound 6(S) | 分子名称: | (2S)-2-azanyl-3-[5-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)oxyphenyl]-1,2,3,4-tetrazol-2-yl]propan-1-ol, ACETATE ION, IMIDAZOLE, ... | 著者 | Srinivas, H. | 登録日 | 2023-10-02 | 公開日 | 2023-12-06 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of Amino Alcohols as Highly Potent, Selective, and Orally Efficacious Inhibitors of Leukotriene A4 Hydrolase. J.Med.Chem., 66, 2023
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8QOW
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![BU of 8qow by Molmil](/molmil-images/mine/8qow) | LTA4 hydrolase in complex with compound 2(S) | 分子名称: | (2~{S})-2-azanyl-3-[3-[4-[3-fluoranyl-5-(1~{H}-pyrazol-5-yl)pyridin-2-yl]oxyphenyl]pyrazol-1-yl]propan-1-ol, ACETATE ION, IMIDAZOLE, ... | 著者 | Srinivas, H. | 登録日 | 2023-09-29 | 公開日 | 2023-12-06 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Discovery of Amino Alcohols as Highly Potent, Selective, and Orally Efficacious Inhibitors of Leukotriene A4 Hydrolase. J.Med.Chem., 66, 2023
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6DCR
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![BU of 6dcr by Molmil](/molmil-images/mine/6dcr) | |
7BC1
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![BU of 7bc1 by Molmil](/molmil-images/mine/7bc1) | |
6D5G
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![BU of 6d5g by Molmil](/molmil-images/mine/6d5g) | Ras:SOS:Ras in complex with a small molecule activator | 分子名称: | 6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazole, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | 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 (1.92 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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6D5V
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![BU of 6d5v by Molmil](/molmil-images/mine/6d5v) | Ras:SOS:Ras in complex with a small molecule activator | 分子名称: | 1-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-1H-benzimidazol-2-amine, GTPase HRas, MAGNESIUM ION, ... | 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 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.04 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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6DEH
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![BU of 6deh by Molmil](/molmil-images/mine/6deh) | Structure of LpnE Effector Protein from Legionella pneumophila (sp. Philadelphia) | 分子名称: | DI(HYDROXYETHYL)ETHER, GLYCEROL, NICKEL (II) ION, ... | 著者 | Voth, K, Chung, I.Y.W, van Straaten, K.E, Cygler, M. | 登録日 | 2018-05-11 | 公開日 | 2018-12-19 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | The structure of Legionella effector protein LpnE provides insights into its interaction with Oculocerebrorenal syndrome of Lowe (OCRL) protein. FEBS J., 286, 2019
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6DEP
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![BU of 6dep by Molmil](/molmil-images/mine/6dep) | Crystal structure of Candida albicans acetohydroxyacid synthase in complex with the herbicide sulfometuron methyl | 分子名称: | (3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL TRIHYDROGEN DIPHOSPHATE, 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Acetolactate synthase, ... | 著者 | Garcia, M.D, Guddat, L.W. | 登録日 | 2018-05-12 | 公開日 | 2018-09-26 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.149 Å) | 主引用文献 | Commercial AHAS-inhibiting herbicides are promising drug leads for the treatment of human fungal pathogenic infections. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6D72
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![BU of 6d72 by Molmil](/molmil-images/mine/6d72) | Crystal structure of spermidine/spermine N-acetyltransferase SpeG from Yersinia pestis in complex with calcium ions. | 分子名称: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, MALONATE ION, ... | 著者 | Filippova, E.V, Minasov, G, Kiryukhina, O, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2018-04-23 | 公開日 | 2018-05-16 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | 主引用文献 | Crystal structure of spermidine/spermine N-acetyltransferase SpeG from Yersinia pestis in complex with calcium ions. To Be Published
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6DFP
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![BU of 6dfp by Molmil](/molmil-images/mine/6dfp) | Crystal Structure of a Tripartite Toxin Component VCA0883 from Vibrio cholerae | 分子名称: | VCA0883 | 著者 | Kim, Y, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2018-05-15 | 公開日 | 2018-05-23 | 最終更新日 | 2022-07-13 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | A Genomic Island of Vibrio cholerae Encodes a Three-Component Cytotoxin with Monomer and Protomer Forms Structurally Similar to Alpha-Pore-Forming Toxins. J.Bacteriol., 204, 2022
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6DH5
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![BU of 6dh5 by Molmil](/molmil-images/mine/6dh5) | Crystal structure of HIV-1 Protease NL4-3 V82I Mutant in complex with UMass6 | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-1-benzyl-2-hydroxypropyl]carbamate, Protease, SULFATE ION | 著者 | Lockbaum, G.J, Schiffer, C.A. | 登録日 | 2018-05-18 | 公開日 | 2018-12-26 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.008 Å) | 主引用文献 | Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease. ACS Infect Dis, 5, 2019
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6D3W
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![BU of 6d3w by Molmil](/molmil-images/mine/6d3w) | Chromosomal trehalose-6-phosphate phosphatase from P. aeruginosa | 分子名称: | 1,2-ETHANEDIOL, ACETIC ACID, CALCIUM ION, ... | 著者 | Hofmann, A, Cross, M, Park, S.-Y. | 登録日 | 2018-04-17 | 公開日 | 2018-05-09 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Trehalose 6-phosphate phosphatases of Pseudomonas aeruginosa. FASEB J., 32, 2018
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6DBY
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![BU of 6dby by Molmil](/molmil-images/mine/6dby) | Crystal structure of Nudix 1 from Arabidopsis thaliana | 分子名称: | MAGNESIUM ION, Nudix hydrolase 1 | 著者 | Noel, J.P, Thomas, S.T, Dudareva, N, Henry, L.K. | 登録日 | 2018-05-03 | 公開日 | 2018-09-19 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Contribution of isopentenyl phosphate to plant terpenoid metabolism. Nat Plants, 4, 2018
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6D4B
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![BU of 6d4b by Molmil](/molmil-images/mine/6d4b) | Crystal structure of Candida boidinii formate dehydrogenase V123A mutant complexed with NAD+ and azide | 分子名称: | AZIDE ION, CHLORIDE ION, Formate dehydrogenase, ... | 著者 | Guo, Q, Ye, H, Gakhar, L, Cheatum, C.M, Kohen, A. | 登録日 | 2018-04-17 | 公開日 | 2019-04-24 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Oscillatory Active-site Motions Correlate with Kinetic Isotope Effects in Formate Dehydrogenase Acs Catalysis, 2019
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6DC0
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6D5K
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![BU of 6d5k by Molmil](/molmil-images/mine/6d5k) | Structure of Human ATP:Cobalamin Adenosyltransferase bound to ATP, and Adenosylcobalamin | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-DEOXYADENOSINE, ADENOSINE-5'-TRIPHOSPHATE, ... | 著者 | Dodge, G.J, Campanello, G, Smith, J.L, Banerjee, R. | 登録日 | 2018-04-19 | 公開日 | 2018-10-10 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Sacrificial Cobalt-Carbon Bond Homolysis in Coenzyme B12as a Cofactor Conservation Strategy. J. Am. Chem. Soc., 140, 2018
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6D5O
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![BU of 6d5o by Molmil](/molmil-images/mine/6d5o) | Hexagonal thermolysin (295 K) in the presence of 50% DMF | 分子名称: | CALCIUM ION, DIMETHYLFORMAMIDE, LYSINE, ... | 著者 | Juers, D.H. | 登録日 | 2018-04-19 | 公開日 | 2018-09-19 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.00005221 Å) | 主引用文献 | The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order. Acta Crystallogr D Struct Biol, 74, 2018
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6D5W
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![BU of 6d5w by Molmil](/molmil-images/mine/6d5w) | Ras:SOS:Ras in complex with a small molecule activator | 分子名称: | 10-[(4-fluorophenyl)methyl]-2,3,4,10-tetrahydropyrimido[1,2-a]benzimidazole, GTPase HRas, MAGNESIUM ION, ... | 著者 | Phan, J, Hodges, T, Fesik, S.W. | 登録日 | 2018-04-19 | 公開日 | 2019-03-27 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.478 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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6D6F
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6D6P
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6DEL
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![BU of 6del by Molmil](/molmil-images/mine/6del) | Crystal structure of Candida albicans acetohydroxyacid synthase in complex with the herbicide chlorimuron ethyl | 分子名称: | (3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL TRIHYDROGEN DIPHOSPHATE, (3Z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl](formyl)amino}-3-sulfanylpent-3-en-1-yl trihydrogen diphosphate, 2-[[[[(4-CHLORO-6-METHOXY-2-PYRIMIDINYL)AMINO]CARBONYL]AMINO]SULFONYL]BENZOIC ACID ETHYL ESTER, ... | 著者 | Garcia, M.D, Guddat, L.W. | 登録日 | 2018-05-12 | 公開日 | 2018-09-26 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.119 Å) | 主引用文献 | Commercial AHAS-inhibiting herbicides are promising drug leads for the treatment of human fungal pathogenic infections. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6DES
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![BU of 6des by Molmil](/molmil-images/mine/6des) | Crystal structure of Candida albicans acetohydroxyacid synthase in complex with the herbicide propoxycarbazone | 分子名称: | 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Acetolactate synthase, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Garcia, M.D, Guddat, L.W. | 登録日 | 2018-05-12 | 公開日 | 2018-09-26 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.402 Å) | 主引用文献 | Commercial AHAS-inhibiting herbicides are promising drug leads for the treatment of human fungal pathogenic infections. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6DGF
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![BU of 6dgf by Molmil](/molmil-images/mine/6dgf) | Ubiquitin Variant bound to USP2 | 分子名称: | Polyubiquitin-B, SULFATE ION, Ubiquitin carboxyl-terminal hydrolase 2, ... | 著者 | Manczyk, N, Sicheri, F. | 登録日 | 2018-05-17 | 公開日 | 2019-02-13 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | 主引用文献 | Yeast Two-Hybrid Analysis for Ubiquitin Variant Inhibitors of Human Deubiquitinases. J. Mol. Biol., 431, 2019
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