5Z1T
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![BU of 5z1t by Molmil](/molmil-images/mine/5z1t) | Crystal Structure Analysis of the BRD4(1) | 分子名称: | 1,2-ETHANEDIOL, 5-bromo-N-(6-hydroxy-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide, Bromodomain-containing protein 4, ... | 著者 | Xu, Y, Zhang, Y, Xiang, Q, Song, M, Wang, C. | 登録日 | 2017-12-28 | 公開日 | 2019-01-02 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Y08060: A Selective BET Inhibitor for Treatment of Prostate Cancer. Acs Med.Chem.Lett., 9, 2018
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6BXK
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![BU of 6bxk by Molmil](/molmil-images/mine/6bxk) | Crystal structure of Pyrococcus horikoshii Dph2 with 4Fe-4S cluster and MTA | 分子名称: | 2-(3-amino-3-carboxypropyl)histidine synthase, 5'-DEOXY-5'-METHYLTHIOADENOSINE, IRON/SULFUR CLUSTER, ... | 著者 | Torelli, A.T, Fenwick, M.K, Zhang, Y, Dong, M, Kathiresan, V, Carantoa, J.D, Dzikovski, B, Lancaster, K.M, Freed, J.H, Hoffman, B.M, Lin, H, Ealick, S.E. | 登録日 | 2017-12-18 | 公開日 | 2018-04-11 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.347 Å) | 主引用文献 | Organometallic and radical intermediates reveal mechanism of diphthamide biosynthesis. Science, 359, 2018
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6BXM
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![BU of 6bxm by Molmil](/molmil-images/mine/6bxm) | Crystal structure of Candidatus Methanoperedens nitroreducens Dph2 with 4Fe-4S cluster and SAM/cleaved SAM | 分子名称: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, ALPHA-AMINOBUTYRIC ACID, Diphthamide biosynthesis enzyme Dph2, ... | 著者 | Fenwick, M.K, Torelli, A.T, Zhang, Y, Dong, M, Kathiresan, V, Carantoa, J.D, Dzikovski, B, Lancaster, K.M, Freed, J.H, Hoffman, B.M, Lin, H, Ealick, S.E. | 登録日 | 2017-12-18 | 公開日 | 2018-04-11 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.252 Å) | 主引用文献 | Organometallic and radical intermediates reveal mechanism of diphthamide biosynthesis. Science, 359, 2018
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6DJ2
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![BU of 6dj2 by Molmil](/molmil-images/mine/6dj2) | HIV-1 protease with single mutation L76V in complex with Lopinavir | 分子名称: | CHLORIDE ION, HIV-1 protease, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, ... | 著者 | Wang, Y.-F, Wong-Sam, A.E, Zhang, Y, Weber, I.T. | 登録日 | 2018-05-24 | 公開日 | 2018-10-17 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | 主引用文献 | Drug Resistance Mutation L76V Alters Nonpolar Interactions at the Flap-Core Interface of HIV-1 Protease. ACS Omega, 3, 2018
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6DJ1
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![BU of 6dj1 by Molmil](/molmil-images/mine/6dj1) | Wild-type HIV-1 protease in complex with Lopinavir | 分子名称: | CHLORIDE ION, HIV-1 protease, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, ... | 著者 | Wang, Y.-F, Wong-Sam, A.E, Zhang, Y, Weber, I.T. | 登録日 | 2018-05-24 | 公開日 | 2018-10-17 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | 主引用文献 | Drug Resistance Mutation L76V Alters Nonpolar Interactions at the Flap-Core Interface of HIV-1 Protease. ACS Omega, 3, 2018
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6DDE
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![BU of 6dde by Molmil](/molmil-images/mine/6dde) | Mu Opioid Receptor-Gi Protein Complex | 分子名称: | DAMGO, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | 著者 | Koehl, A, Hu, H, Maeda, S, Manglik, A, Zhang, Y, Kobilka, B.K, Skiniotis, G, Weis, W.I. | 登録日 | 2018-05-10 | 公開日 | 2018-06-13 | 最終更新日 | 2023-11-15 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Structure of the mu-opioid receptor-Giprotein complex. Nature, 558, 2018
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6BQ1
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![BU of 6bq1 by Molmil](/molmil-images/mine/6bq1) | Human PI4KIIIa lipid kinase complex | 分子名称: | 5-{2-amino-1-[4-(morpholin-4-yl)phenyl]-1H-benzimidazol-6-yl}-N-(2-fluorophenyl)-2-methoxypyridine-3-sulfonamide, Phosphatidylinositol 4-kinase III alpha (PI4KA), Protein FAM126A, ... | 著者 | Lees, J.A, Zhang, Y, Oh, M, Schauder, C.M, Yu, X, Baskin, J, Dobbs, K, Notarangelo, L.D, Camilli, P.D, Walz, T, Reinisch, K.M. | 登録日 | 2017-11-27 | 公開日 | 2017-12-13 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | 主引用文献 | Architecture of the human PI4KIII alpha lipid kinase complex. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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7NHF
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![BU of 7nhf by Molmil](/molmil-images/mine/7nhf) | Crystal structure of Arabidopsis thaliana Pdx1K166R | 分子名称: | PHOSPHATE ION, Pyridoxal 5'-phosphate synthase subunit PDX1.3 | 著者 | Rodrigues, M.J, Zhang, Y, Bolton, R, Evans, G, Giri, N, Royant, A, Begley, T, Ealick, S.E, Tews, I. | 登録日 | 2021-02-10 | 公開日 | 2021-12-22 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Trapping and structural characterisation of a covalent intermediate in vitamin B 6 biosynthesis catalysed by the Pdx1 PLP synthase. Rsc Chem Biol, 3, 2022
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7NHE
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![BU of 7nhe by Molmil](/molmil-images/mine/7nhe) | Crystal structure of Arabidopsis thaliana Pdx1K166R-I333 complex | 分子名称: | PHOSPHATE ION, Pyridoxal 5'-phosphate synthase subunit PDX1.3, [(~{E},4~{S})-4-azanyl-3-oxidanylidene-pent-1-enyl] dihydrogen phosphate | 著者 | Rodrigues, M.J, Zhang, Y, Bolton, R, Evans, G, Giri, N, Royant, A, Begley, T, Ealick, S.E, Tews, I. | 登録日 | 2021-02-10 | 公開日 | 2021-12-22 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | 主引用文献 | Trapping and structural characterisation of a covalent intermediate in vitamin B 6 biosynthesis catalysed by the Pdx1 PLP synthase. Rsc Chem Biol, 3, 2022
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7N4Z
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7N53
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![BU of 7n53 by Molmil](/molmil-images/mine/7n53) | Complex structure of PAP4 with papaverine | 分子名称: | 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXYISOQUINOLINE, GLYCEROL, PAP4, ... | 著者 | Kim, W, Zhang, Y. | 登録日 | 2021-06-04 | 公開日 | 2022-06-29 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Using fungible biosensors to evolve improved alkaloid biosyntheses. Nat.Chem.Biol., 18, 2022
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7N54
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7NTH
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![BU of 7nth by Molmil](/molmil-images/mine/7nth) | Structure of TAK1 in complex with compound 54 | 分子名称: | 2-[[5-[[2-[bis(fluoranyl)methoxy]phenyl]methyl-[(2~{R})-1-(methylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]-1~{H}-imidazol-2-yl]carbonyl]isoindole-5-carboxamide, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Veerman, J.J.N, Bruseker, Y.B, Damen, E, Heijne, E.H, van Bruggen, W, Hekking, K.F.W, Winkel, R, Hupp, C.D, Keefe, A.D, Liu, J, Thomson, H.A, Zhang, Y, Cuozzo, J.W, McRiner, A.J, Mulvihill, M.J, van Rijnsbergen, P, Zech, B, Renzetti, L.M, Babiss, L, Mueller, G. | 登録日 | 2021-03-09 | 公開日 | 2021-04-07 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Discovery of 2,4-1 H -Imidazole Carboxamides as Potent and Selective TAK1 Inhibitors. Acs Med.Chem.Lett., 12, 2021
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7NTI
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![BU of 7nti by Molmil](/molmil-images/mine/7nti) | Structure of TAK1 in complex with compound 22 | 分子名称: | DIMETHYL SULFOXIDE, GLYCEROL, Mitogen-activated protein kinase 7,TGF-beta-activated kinase 1 and MAP3K7-binding protein 1, ... | 著者 | Veerman, J.J.N, Bruseker, Y.B, Damen, E, Heijne, E.H, van Bruggen, W, Hekking, K.F.W, Winkel, R, Hupp, C.D, Keefe, A.D, Liu, J, Thomson, H.A, Zhang, Y, Cuozzo, J.W, McRiner, A.J, Mulvihill, M.J, van Rijnsbergen, P, Zech, B, Renzetti, L.M, Babiss, L, Mueller, G. | 登録日 | 2021-03-09 | 公開日 | 2021-04-07 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Discovery of 2,4-1 H -Imidazole Carboxamides as Potent and Selective TAK1 Inhibitors. Acs Med.Chem.Lett., 12, 2021
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3NR9
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![BU of 3nr9 by Molmil](/molmil-images/mine/3nr9) | Structure of human CDC2-like kinase 2 (CLK2) | 分子名称: | (5Z)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one, Dual specificity protein kinase CLK2 | 著者 | Chaikuad, A, Savitsky, P, Krojer, T, Muniz, J.R.C, Filippakopoulos, P, Rellos, P, Keates, T, Fedorov, O, Pike, A.C.W, Eswaran, J, Berridge, G, Phillips, C, Zhang, Y, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2010-06-30 | 公開日 | 2010-08-25 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.89 Å) | 主引用文献 | Structure of human CDC2-like kinase 2 (CLK2) To be Published
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3NPR
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![BU of 3npr by Molmil](/molmil-images/mine/3npr) | Crystal structure of the C(30) carotenoid dehydrosqualene synthase from S. aureus complexed with Presqualene diphosphate (PSPP) | 分子名称: | Dehydrosqualene synthase, MAGNESIUM ION, {(1R,2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-2-methyl-3-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trien-1-yl]cyclopropyl}methyl trihydrogen diphosphate | 著者 | Lin, F.-Y, Liu, C.-I, Liu, Y.-L, Wang, K, Zhang, Y, Oldfield, E. | 登録日 | 2010-06-28 | 公開日 | 2010-12-22 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Mechanism of action and inhibition of dehydrosqualene synthase. Proc.Natl.Acad.Sci.USA, 107, 2010
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3NRI
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![BU of 3nri by Molmil](/molmil-images/mine/3nri) | Crystal structure of the C(30) carotenoid dehydrosqualene synthase from S. aureus complexed with dehydrosqualene (DHS) | 分子名称: | (6E,10R,13S,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,11,13,14,18,22-octaene, Dehydrosqualene synthase | 著者 | Lin, F.-Y, Liu, C.-I, Liu, Y.-L, Wang, K, Zhang, Y, Oldfield, E. | 登録日 | 2010-06-30 | 公開日 | 2010-12-22 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Mechanism of action and inhibition of dehydrosqualene synthase. Proc.Natl.Acad.Sci.USA, 107, 2010
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7KOJ
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![BU of 7koj by Molmil](/molmil-images/mine/7koj) | The crystal structure of Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with PLP_Snyder494 inhibitor | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]-5-{[(prop-2-en-1-yl)carbamoyl]amino}benzamide, ACETATE ION, ... | 著者 | Osipiuk, J, Tesar, C, Endres, M, Lisnyak, V, Maki, S, Taylor, C, Zhang, Y, Zhou, Z, Azizi, S.A, Jones, K, Kathayat, R, Snyder, S.A, Dickinson, B.C, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2020-11-09 | 公開日 | 2020-11-18 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | The crystal structure of Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with PLP_Snyder494 to be published
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7KRX
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![BU of 7krx by Molmil](/molmil-images/mine/7krx) | The crystal structure of Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with PLP_Snyder441 inhibitor | 分子名称: | 3-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide, ACETATE ION, CHLORIDE ION, ... | 著者 | Osipiuk, J, Tesar, C, Endres, M, Lisnyak, V, Maki, S, Taylor, C, Zhang, Y, Zhou, Z, Azizi, S.A, Jones, K, Kathayat, R, Snyder, S.A, Dickinson, B.C, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2020-11-20 | 公開日 | 2020-12-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.72 Å) | 主引用文献 | The crystal structure of Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with PLP_Snyder441 to be published
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7KOL
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![BU of 7kol by Molmil](/molmil-images/mine/7kol) | The crystal structure of Papain-Like Protease of SARS CoV-2 in complex with PLP_Snyder496 inhibitor | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[(E)-(hydroxyimino)methyl]-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide, CHLORIDE ION, ... | 著者 | Osipiuk, J, Tesar, C, Endres, M, Lisnyak, V, Maki, S, Taylor, C, Zhang, Y, Zhou, Z, Azizi, S.A, Jones, K, Kathayat, R, Snyder, S.A, Dickinson, B.C, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2020-11-09 | 公開日 | 2020-11-18 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | 主引用文献 | The crystal structure of Papain-Like Protease of SARS CoV-2 in complex with PLP_Snyder496 to be published
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7KOK
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![BU of 7kok by Molmil](/molmil-images/mine/7kok) | The crystal structure of Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with PLP_Snyder496 inhibitor | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[(E)-(hydroxyimino)methyl]-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide, ACETATE ION, ... | 著者 | Osipiuk, J, Tesar, C, Endres, M, Lisnyak, V, Maki, S, Taylor, C, Zhang, Y, Zhou, Z, Azizi, S.A, Jones, K, Kathayat, R, Snyder, S.A, Dickinson, B.C, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2020-11-09 | 公開日 | 2020-11-18 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The crystal structure of Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with PLP_Snyder496 to be published
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7JN2
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![BU of 7jn2 by Molmil](/molmil-images/mine/7jn2) | The crystal structure of Papain-Like Protease of SARS CoV-2 in complex with PLP_Snyder441 inhibitor | 分子名称: | 3-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide, ACETATE ION, CHLORIDE ION, ... | 著者 | Osipiuk, J, Tesar, C, Endres, M, Lisnyak, V, Maki, S, Taylor, C, Zhang, Y, Zhou, Z, Azizi, S.A, Jones, K, Kathayat, R, Snyder, S.A, Dickinson, B.C, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2020-08-03 | 公開日 | 2020-08-12 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | The crystal structure of Papain-Like Protease of SARS CoV-2 in complex with PLP_Snyder441 to be published
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3QH6
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![BU of 3qh6 by Molmil](/molmil-images/mine/3qh6) | 1.8A resolution structure of CT296 from Chlamydia trachomatis | 分子名称: | CT296, TETRAETHYLENE GLYCOL | 著者 | Kemege, K, Hickey, J, Lovell, S, Battaile, K.P, Zhang, Y, Hefty, P.S. | 登録日 | 2011-01-25 | 公開日 | 2011-10-05 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Ab initio structural modeling of and experimental validation for Chlamydia trachomatis protein CT296 reveal structural similarity to Fe(II) 2-oxoglutarate-dependent enzymes. J.Bacteriol., 193, 2011
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3RYW
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![BU of 3ryw by Molmil](/molmil-images/mine/3ryw) | Crystal structure of P. vivax geranylgeranyl diphosphate synthase complexed with BPH-811 | 分子名称: | Farnesyl pyrophosphate synthase, MAGNESIUM ION, SULFATE ION, ... | 著者 | No, J.H, Liu, Y.-L, Zhang, Y, Oldfield, E. | 登録日 | 2011-05-11 | 公開日 | 2012-05-23 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Lipophilic analogs of zoledronate and risedronate inhibit Plasmodium geranylgeranyl diphosphate synthase (GGPPS) and exhibit potent antimalarial activity. Proc.Natl.Acad.Sci.USA, 109, 2012
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3QH7
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![BU of 3qh7 by Molmil](/molmil-images/mine/3qh7) | 2.5 A resolution structure of Se-Met labeled CT296 from Chlamydia trachomatis | 分子名称: | CT296 | 著者 | Kemege, K, Hickey, J, Lovell, S, Battaile, K.P, Zhang, Y, Hefty, P.S. | 登録日 | 2011-01-25 | 公開日 | 2011-10-05 | 最終更新日 | 2018-10-10 | 実験手法 | X-RAY DIFFRACTION (2.497 Å) | 主引用文献 | Ab initio structural modeling of and experimental validation for Chlamydia trachomatis protein CT296 reveal structural similarity to Fe(II) 2-oxoglutarate-dependent enzymes. J. Bacteriol., 193, 2011
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