5ZIB
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1UBJ
| Three-dimensional Structure of The Carbon Monoxide Complex of [NiFe]hydrogenase From Desulufovibrio vulgaris Miyazaki F | 分子名称: | (MU-SULPHIDO)-BIS(MU-CYS,S)-[TRICARBONYLIRON-DI-(CYS,S)NICKEL(II)](FE-NI), CARBON MONOXIDE, FE3-S4 CLUSTER, ... | 著者 | Ogata, H, Mizoguchi, Y, Mizuno, N, Miki, K, Adachi, S, Yasuoka, N, Yagi, T, Yamauchi, O, Hirota, S, Higuchi, Y. | 登録日 | 2003-04-04 | 公開日 | 2003-04-29 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Structural Studies of the Carbon Monoxide Complex of [NiFe]hydrogenase from Desulfovibrio vulgaris Miyazaki F: Suggestion for the Initial Activation Site for Dihydrogen J.Am.Chem.Soc., 124, 2002
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5ZEA
| Crystal structure of the nucleotide-free mutant A3B3 | 分子名称: | GLYCEROL, V-type sodium ATPase catalytic subunit A, V-type sodium ATPase subunit B | 著者 | Maruyama, S, Suzuki, K, Mizutani, K, Saito, Y, Imai, F.L, Ishizuka-Katsura, Y, Shirouzu, M, Ichiro, Y, Murata, T. | 登録日 | 2018-02-27 | 公開日 | 2019-02-06 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (3.384 Å) | 主引用文献 | Metastable asymmetrical structure of a shaftless V1motor. Sci Adv, 5, 2019
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5KJS
| Crystal Structure of Arabidopsis thaliana HCT | 分子名称: | Shikimate O-hydroxycinnamoyltransferase | 著者 | Levsh, O, Chiang, Y.C, Tung, C, Noel, J.P, Wang, Y, Weng, J.K. | 登録日 | 2016-06-20 | 公開日 | 2016-11-02 | 最終更新日 | 2019-11-20 | 実験手法 | X-RAY DIFFRACTION (2.203 Å) | 主引用文献 | Dynamic Conformational States Dictate Selectivity toward the Native Substrate in a Substrate-Permissive Acyltransferase. Biochemistry, 55, 2016
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5KJV
| Crystal structure of Coleus blumei HCT | 分子名称: | Hydroxycinnamoyl transferase | 著者 | Levsh, O, Chiang, Y.C, Tung, C.F, Noel, J.P, Wang, Y, Weng, J.K. | 登録日 | 2016-06-20 | 公開日 | 2016-11-02 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Dynamic Conformational States Dictate Selectivity toward the Native Substrate in a Substrate-Permissive Acyltransferase. Biochemistry, 55, 2016
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5KJT
| Crystal structure of Arabidopsis thaliana HCT in complex with p-coumaroyl-CoA | 分子名称: | Shikimate O-hydroxycinnamoyltransferase, p-coumaroyl-CoA | 著者 | Levsh, O, Chiang, Y.C, Tung, C.F, Noel, J.P, Wang, Y, Weng, J.K. | 登録日 | 2016-06-20 | 公開日 | 2016-11-02 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Dynamic Conformational States Dictate Selectivity toward the Native Substrate in a Substrate-Permissive Acyltransferase. Biochemistry, 55, 2016
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5WSD
| Crystal structure of a cupin protein (tm1459) in apo form | 分子名称: | Uncharacterized protein tm1459 | 著者 | Fujieda, N, Nakano, T, Taniguchi, Y, Ichihashi, H, Nishikawa, Y, Kurisu, G, Itoh, S. | 登録日 | 2016-12-06 | 公開日 | 2017-05-31 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | A Well-Defined Osmium-Cupin Complex: Hyperstable Artificial Osmium Peroxygenase J. Am. Chem. Soc., 2017
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5KJW
| Crystal structure of Coleus blumei HCT in complex with 3-hydroxyacetophenone | 分子名称: | 1-(3-hydroxyphenyl)ethanone, Hydroxycinnamoyl transferase | 著者 | Levsh, O, Chiang, Y.C, Tung, C.F, Noel, J.P, Wang, Y, Weng, J.K. | 登録日 | 2016-06-20 | 公開日 | 2016-11-02 | 最終更新日 | 2019-11-20 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Dynamic Conformational States Dictate Selectivity toward the Native Substrate in a Substrate-Permissive Acyltransferase. Biochemistry, 55, 2016
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5WSE
| Crystal structure of a cupin protein (tm1459) in osmium (Os) substituted form I | 分子名称: | OSMIUM ION, Uncharacterized protein tm1459 | 著者 | Fujieda, N, Nakano, T, Taniguchi, Y, Ichihashi, H, Nishikawa, Y, Kurisu, G, Itoh, S. | 登録日 | 2016-12-06 | 公開日 | 2017-05-31 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.12 Å) | 主引用文献 | A Well-Defined Osmium-Cupin Complex: Hyperstable Artificial Osmium Peroxygenase J. Am. Chem. Soc., 2017
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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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5X19
| CO bound cytochrome c oxidase at 100 micro sec 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 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.2 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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5KJU
| Crystal structure of Arabidopsis thaliana HCT in complex with p-coumaroylshikimate | 分子名称: | (3~{R},4~{S},5~{R})-3-[(~{E})-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-4,5-bis(oxidanyl)cyclohexene-1-carboxylic acid, Shikimate O-hydroxycinnamoyltransferase | 著者 | Levsh, O, Chiang, Y.C, Tung, C.F, Noel, J.P, Wang, Y, Weng, J.K. | 登録日 | 2016-06-20 | 公開日 | 2016-11-02 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | 主引用文献 | Dynamic Conformational States Dictate Selectivity toward the Native Substrate in a Substrate-Permissive Acyltransferase. Biochemistry, 55, 2016
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5X1F
| CO bound cytochrome c oxidase without pump laser irradiation at 278K | 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 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.2 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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8CAG
| Hypoxanthine-guanine phosphoribosyltransferase from E. coli | 分子名称: | Hypoxanthine phosphoribosyltransferase, MAGNESIUM ION | 著者 | Timofeev, V.I, Shevtsov, M.B, Abramchik, Y.A, Kostromina, M.A, Zayats, E.A, Kuranova, I.P, Esipov, R.S. | 登録日 | 2023-01-24 | 公開日 | 2023-02-01 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Hypoxanthine-guanine phosphoribosyltransferase from E. coli To Be Published
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5SIC
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5ZIC
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5WSF
| Crystal structure of a cupin protein (tm1459) in osmium (Os)-substituted form II | 分子名称: | OSMIUM ION, Uncharacterized protein tm1459 | 著者 | Fujieda, N, Nakano, T, Taniguchi, Y, Ichihashi, H, Nishikawa, Y, Kurisu, G, Itoh, S. | 登録日 | 2016-12-06 | 公開日 | 2017-05-31 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.11 Å) | 主引用文献 | A Well-Defined Osmium-Cupin Complex: Hyperstable Artificial Osmium Peroxygenase J. Am. Chem. Soc., 2017
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1UBM
| Three-dimensional Structure of The Carbon Monoxide Complex of [NiFe]hydrogenase From Desulufovibrio vulgaris Miyazaki F | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, (MU-SULPHIDO)-BIS(MU-CYS,S)-[TRICARBONYLIRON-DI-(CYS,S)NICKEL(II)](FE-NI), FE3-S4 CLUSTER, ... | 著者 | Ogata, H, Mizoguchi, Y, Mizuno, N, Miki, K, Adachi, S, Yasuoka, N, Yagi, T, Yamauchi, O, Hirota, S, Higuchi, Y. | 登録日 | 2003-04-04 | 公開日 | 2003-04-29 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Structural Studies of the Carbon Monoxide Complex of [NiFe]hydrogenase from Desulfovibrio vulgaris Miyazaki F: Suggestion for the Initial Activation Site for Dihydrogen J.Am.Chem.Soc., 124, 2002
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6AFK
| Crystal structure of TrmD from Pseudomonas aeruginosa in complex with active-site inhibitor | 分子名称: | N-{(3S)-1-[3-(pyridin-4-yl)-1H-pyrazol-5-yl]piperidin-3-yl}-1H-indole-2-carboxamide, S-ADENOSYLMETHIONINE, tRNA (guanine-N(1)-)-methyltransferase | 著者 | Zhong, W, Koay, A, Wong, Y.W, Sahili, A.E, Nah, Q, Kang, C, Poulsen, A, Chionh, Y.K, McBee, M, Matter, A, Hill, J, Lescar, J, Dedon, P.C. | 登録日 | 2018-08-08 | 公開日 | 2019-08-14 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Targeting the Bacterial Epitranscriptome for Antibiotic Development: Discovery of Novel tRNA-(N1G37) Methyltransferase (TrmD) Inhibitors. Acs Infect Dis., 5, 2019
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7WCE
| Crystal structure of HIV-1 integrase catalytic core domain in complex with (2S)-2-(tert-Butoxy)-2-(10-fluoro-2-(2-hydroxy-4-methylphenyl)-1,4-dimethyl-5-(methylsulfonyl)-5,6-dihydrophenanthridin-3-yl)acetic acid | 分子名称: | (2S)-2-[10-fluoranyl-1,4-dimethyl-2-(4-methyl-2-oxidanyl-phenyl)-5-methylsulfonyl-6H-phenanthridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, GLYCEROL, Integrase catalytic, ... | 著者 | Taoda, Y, Sekiguchi, Y. | 登録日 | 2021-12-20 | 公開日 | 2022-09-07 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Discovery of tricyclic HIV-1 integrase-LEDGF/p75 allosteric inhibitors by intramolecular direct arylation reaction. Bioorg.Med.Chem.Lett., 64, 2022
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7WMC
| Crystal structure of macrocyclic peptide 1 bound to human Nicotinamide N-methyltransferase | 分子名称: | Nicotinamide N-methyltransferase, Peptide1 | 著者 | Yoshida, S, Uehara, S, Kondo, N, Takahashi, Y, Yamamoto, S, Kameda, A, Kawagoe, S, Inoue, N, Yamada, M, Yoshimura, N, Tachibana, Y. | 登録日 | 2022-01-14 | 公開日 | 2022-08-31 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Peptide-to-Small Molecule: A Pharmacophore-Guided Small Molecule Lead Generation Strategy from High-Affinity Macrocyclic Peptides. J.Med.Chem., 65, 2022
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7WMT
| Crystal structure of small molecule 13 bound to human Nicotinamide N-methyltransferase | 分子名称: | Nicotinamide N-methyltransferase, [(2~{R},4~{S})-4-[2-(aminomethyl)imidazol-1-yl]-2-[1-[(4-chlorophenyl)methyl]-5-methyl-indol-2-yl]pyrrolidin-1-yl]-(1~{H}-pyrrolo[2,3-b]pyridin-5-yl)methanone | 著者 | Yoshida, S, Uehara, S, Kondo, N, Takahashi, Y, Yamamoto, S, Kameda, A, Kawagoe, S, Inoue, N, Yamada, M, Yoshimura, N, Tachibana, Y. | 登録日 | 2022-01-17 | 公開日 | 2022-08-31 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Peptide-to-Small Molecule: A Pharmacophore-Guided Small Molecule Lead Generation Strategy from High-Affinity Macrocyclic Peptides. J.Med.Chem., 65, 2022
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7WCQ
| Crystal structure of HIV-1 protease in complex with lactam derivative 1 | 分子名称: | (3R,4R)-3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-3-(4-methylsulfonylphenyl)-4-oxidanyl-pyrrolidin-2-one, Protease | 著者 | Kojima, E, Iimuro, A, Nakajima, M, Kinuta, H, Asada, N, Sako, Y, Nakata, Z, Uemura, K, Arita, S, Miki, S, Wakasa-Morimoto, C, Tachibana, Y, Fumoto, M. | 登録日 | 2021-12-20 | 公開日 | 2022-11-02 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.011 Å) | 主引用文献 | Pocket-to-Lead: Structure-Based De Novo Design of Novel Non-peptidic HIV-1 Protease Inhibitors Using the Ligand Binding Pocket as a Template. J.Med.Chem., 65, 2022
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7WBS
| Crystal structure of HIV-1 protease in complex with lactam derivative 2 | 分子名称: | (3~{R},4~{R})-1-[(4-methoxyphenyl)methyl]-3-(3-methylbutyl)-3-[4-methylsulfonyl-2-[(2~{S})-1-oxidanylpropan-2-yl]oxy-phenyl]-4-oxidanyl-pyrrolidin-2-one, GLYCEROL, Protease | 著者 | Kojima, E, Iimuro, A, Nakajima, M, Kinuta, H, Asada, N, Sako, Y, Nakata, Z, Uemura, K, Arita, S, Miki, S, Wakabayashi-Morimoto, C, Tachibana, Y, Fumoto, M. | 登録日 | 2021-12-17 | 公開日 | 2022-11-02 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Pocket-to-Lead: Structure-Based De Novo Design of Novel Non-peptidic HIV-1 Protease Inhibitors Using the Ligand Binding Pocket as a Template. J.Med.Chem., 65, 2022
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2K8R
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