3VXG
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![BU of 3vxg by Molmil](/molmil-images/mine/3vxg) | Crystal structure of conjugated polyketone reductase C2 from Candida Parapsilosis | 分子名称: | Conjugated polyketone reductase C2 | 著者 | Qin, H.-M, Yamamura, A, Miyakawa, T, Maruoka, S, Ohtsuka, J, Nagata, K, Kataoka, M, Shimizu, S, Tanokura, M. | 登録日 | 2012-09-13 | 公開日 | 2013-08-07 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structure of conjugated polyketone reductase from Candida parapsilosis IFO 0708 reveals conformational changes for substrate recognition upon NADPH binding Appl.Microbiol.Biotechnol., 98, 2014
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4UBR
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3VDQ
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![BU of 3vdq by Molmil](/molmil-images/mine/3vdq) | Crystal structure of alcaligenes faecalis D-3-hydroxybutyrate dehydrogenase in complex with NAD(+) and acetate | 分子名称: | ACETATE ION, CALCIUM ION, CHLORIDE ION, ... | 著者 | Hoque, M.M, Shimizu, S, Hossain, M.T, Yamamoto, T, Suzuki, K, Takenaka, A. | 登録日 | 2012-01-06 | 公開日 | 2012-02-29 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | The structures of Alcaligenes faecalis D-3-hydroxybutyrate dehydrogenase before and after NAD+ and acetate binding suggest a dynamical reaction mechanism as a member of the SDR family. Acta Crystallogr.,Sect.D, 64, 2008
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3VDR
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![BU of 3vdr by Molmil](/molmil-images/mine/3vdr) | Crystal structure of D-3-hydroxybutyrate dehydrogenase, prepared in the presence of the substrate D-3-hydroxybutyrate and NAD(+) | 分子名称: | (3R)-3-hydroxybutanoic acid, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ACETOACETIC ACID, ... | 著者 | Hoque, M.M, Shimizu, S, Juan, E.C.M, Sato, Y, Hossain, M.T, Yamamoto, T, Imamura, S, Amano, H, Suzuki, K, Sekiguchi, T, Tsunoda, M, Takenaka, A. | 登録日 | 2012-01-06 | 公開日 | 2012-02-08 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structure of D-3-hydroxybutyrate dehydrogenase prepared in the presence of the substrate D-3-hydroxybutyrate and NAD+. Acta Crystallogr.,Sect.F, 65, 2009
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3WG6
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![BU of 3wg6 by Molmil](/molmil-images/mine/3wg6) | Crystal structure of conjugated polyketone reductase C1 from Candida parapsilosis complexed with NADPH | 分子名称: | Conjugated polyketone reductase C1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Qin, H.-M, Yamamura, A, Miyakawa, T, Maruoka, S, Ohtsuka, J, Nagata, K, Kataoka, M, Shimizu, S, Tanokura, M. | 登録日 | 2013-07-28 | 公開日 | 2013-08-21 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystal structure of conjugated polyketone reductase (CPR-C1) from Candida parapsilosis IFO 0708 complexed with NADPH. Proteins, 81, 2013
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8IJW
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![BU of 8ijw by Molmil](/molmil-images/mine/8ijw) | Cryo-EM structure of the gastric proton pump with bound DQ-06 | 分子名称: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | 著者 | Abe, K, Yokoshima, S, Yoshimori, A. | 登録日 | 2023-02-28 | 公開日 | 2023-08-30 | 最終更新日 | 2023-10-04 | 実験手法 | ELECTRON MICROSCOPY (2.19 Å) | 主引用文献 | Deep learning driven de novo drug design based on gastric proton pump structures. Commun Biol, 6, 2023
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8IJX
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![BU of 8ijx by Molmil](/molmil-images/mine/8ijx) | Cryo-EM structure of the gastric proton pump with bound DQ-18 | 分子名称: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-[4-[(5-chloranyl-2-phenylmethoxy-phenyl)methoxy]phenyl]-N-methyl-methanamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Abe, K, Yokoshima, S, Yoshimori, A. | 登録日 | 2023-02-28 | 公開日 | 2023-08-30 | 最終更新日 | 2023-10-04 | 実験手法 | ELECTRON MICROSCOPY (2.08 Å) | 主引用文献 | Deep learning driven de novo drug design based on gastric proton pump structures. Commun Biol, 6, 2023
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8IJV
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![BU of 8ijv by Molmil](/molmil-images/mine/8ijv) | Cryo-EM structure of the gastric proton pump with bound DQ-02 | 分子名称: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[[5-chloranyl-2-(4-chlorophenyl)phenyl]methoxy]-N-methyl-but-2-yn-1-amine, ... | 著者 | Abe, K, Yokoshima, S, Yoshimori, A. | 登録日 | 2023-02-28 | 公開日 | 2023-08-30 | 最終更新日 | 2023-10-04 | 実験手法 | ELECTRON MICROSCOPY (2.1 Å) | 主引用文献 | Deep learning driven de novo drug design based on gastric proton pump structures. Commun Biol, 6, 2023
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7BKD
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![BU of 7bkd by Molmil](/molmil-images/mine/7bkd) | Formate dehydrogenase - heterodisulfide reductase - formylmethanofuran dehydrogenase complex from Methanospirillum hungatei (heterodislfide reductase core and mobile arm in conformational state 1, composite structure) | 分子名称: | CoB--CoM heterodisulfide reductase iron-sulfur subunit A, CoB--CoM heterodisulfide reductase subunit B, CoB--CoM heterodisulfide reductase subunit C, ... | 著者 | Pfeil-Gardiner, O, Watanabe, T, Shima, S, Murphy, B.J. | 登録日 | 2021-01-15 | 公開日 | 2021-09-29 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Three-megadalton complex of methanogenic electron-bifurcating and CO 2 -fixing enzymes. Science, 373, 2021
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7BKE
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![BU of 7bke by Molmil](/molmil-images/mine/7bke) | Formate dehydrogenase - heterodisulfide reductase - formylmethanofuran dehydrogenase complex from Methanospirillum hungatei (heterodisulfide reductase core and mobile arm in conformational state 2, composite structure) | 分子名称: | CoB--CoM heterodisulfide reductase iron-sulfur subunit A, CoB--CoM heterodisulfide reductase subunit B, CoB--CoM heterodisulfide reductase subunit C, ... | 著者 | Pfeil-Gardiner, O, Watanabe, T, Shima, S, Murphy, B.J. | 登録日 | 2021-01-15 | 公開日 | 2021-09-29 | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | 主引用文献 | Three-megadalton complex of methanogenic electron-bifurcating and CO 2 -fixing enzymes. Science, 373, 2021
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7BKB
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![BU of 7bkb by Molmil](/molmil-images/mine/7bkb) | Formate dehydrogenase - heterodisulfide reductase - formylmethanofuran dehydrogenase complex from Methanospirillum hungatei (hexameric, composite structure) | 分子名称: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, CoB--CoM heterodisulfide reductase iron-sulfur subunit A, CoB--CoM heterodisulfide reductase subunit B, ... | 著者 | Pfeil-Gardiner, O, Watanabe, T, Shima, S, Murphy, B.J. | 登録日 | 2021-01-15 | 公開日 | 2021-09-29 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Three-megadalton complex of methanogenic electron-bifurcating and CO 2 -fixing enzymes. Science, 373, 2021
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7BKC
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![BU of 7bkc by Molmil](/molmil-images/mine/7bkc) | Formate dehydrogenase - heterodisulfide reductase - formylmethanofuran dehydrogenase complex from Methanospirillum hungatei (dimeric, composite structure) | 分子名称: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, CoB--CoM heterodisulfide reductase iron-sulfur subunit A, CoB--CoM heterodisulfide reductase subunit B, ... | 著者 | Pfeil-Gardiner, O, Watanabe, T, Shima, S, Murphy, B.J. | 登録日 | 2021-01-15 | 公開日 | 2021-09-29 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Three-megadalton complex of methanogenic electron-bifurcating and CO 2 -fixing enzymes. Science, 373, 2021
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8JMN
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![BU of 8jmn by Molmil](/molmil-images/mine/8jmn) | Cryo-EM structure of the gastric proton pump with bound DQ-21 | 分子名称: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-[4-[[2-[(4-chlorophenyl)methoxy]phenyl]methoxy]phenyl]-N-methyl-methanamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Abe, K, Yokoshima, S, Yoshimori, A. | 登録日 | 2023-06-05 | 公開日 | 2023-08-30 | 最終更新日 | 2023-10-04 | 実験手法 | ELECTRON MICROSCOPY (2.26 Å) | 主引用文献 | Deep learning driven de novo drug design based on gastric proton pump structures. Commun Biol, 6, 2023
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5LB9
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![BU of 5lb9 by Molmil](/molmil-images/mine/5lb9) | Structure of the T175V Etr1p mutant in the monoclinic form P21 | 分子名称: | Enoyl-[acyl-carrier-protein] reductase [NADPH, B-specific] 1, mitochondrial, ... | 著者 | Wagner, T, Rosenthal, R.G, Voegeli, B, Shima, S, Erb, T.J. | 登録日 | 2016-06-15 | 公開日 | 2017-05-10 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | A conserved threonine prevents self-intoxication of enoyl-thioester reductases. Nat. Chem. Biol., 13, 2017
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5AZE
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![BU of 5aze by Molmil](/molmil-images/mine/5aze) | Fab fragment of calcium-dependent antigen binding antibody, 6RL#9 | 分子名称: | 6RL#9 FAB HEAVY CHAIN, 6RL#9 FAB LIGHT CHAIN, CALCIUM ION | 著者 | Kadono, S, Hironiwa, N, Ishii, S, Igawa, T, Hattori, K. | 登録日 | 2015-10-02 | 公開日 | 2015-11-11 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Calcium-dependent antigen binding as a novel modality for antibody recycling by endosomal antigen dissociation Mabs, 8, 2016
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7XMA
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![BU of 7xma by Molmil](/molmil-images/mine/7xma) | Crystal structure of Bovine heart cytochrome c oxidase, apo structure with DMSO | 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 | Nishida, Y, Shinzawa-Itoh, K, Mizuno, N, Kumasaka, T, Yoshikawa, S, Tsukihara, T, Takashima, S, Shintani, Y. | 登録日 | 2022-04-25 | 公開日 | 2022-12-21 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Identifying antibiotics based on structural differences in the conserved allostery from mitochondrial heme-copper oxidases. Nat Commun, 13, 2022
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7XMB
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![BU of 7xmb by Molmil](/molmil-images/mine/7xmb) | Crystal structure of Bovine heart cytochrome c oxidase, the structure complexed with an allosteric inhibitor T113 | 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 | Nishida, Y, Shinzawa-Itoh, K, Mizuno, N, Kumasaka, T, Yoshikawa, S, Tsukihara, T, Shintani, Y, Takashima, S. | 登録日 | 2022-04-25 | 公開日 | 2022-12-21 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Identifying antibiotics based on structural differences in the conserved allostery from mitochondrial heme-copper oxidases. Nat Commun, 13, 2022
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8JQQ
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![BU of 8jqq by Molmil](/molmil-images/mine/8jqq) | Protocatecuate hydroxylase from Xylophilus ampelinus C347T mutant | 分子名称: | 4-hydroxybenzoate 3-monooxygenase (NAD(P)H), CALCIUM ION, FLAVIN-ADENINE DINUCLEOTIDE | 著者 | Fukushima, R, Katsuki, N, Fushinobu, S, Takaya, N. | 登録日 | 2023-06-14 | 公開日 | 2023-12-06 | 最終更新日 | 2024-01-03 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | Protocatechuate hydroxylase is a novel group A flavoprotein monooxygenase with a unique substrate recognition mechanism. J.Biol.Chem., 300, 2023
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8JQP
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![BU of 8jqp by Molmil](/molmil-images/mine/8jqp) | Protocatecuate hydroxylase from Xylophilus ampelinus complexed with 3,4-dihydroxybenzoate | 分子名称: | 3,4-DIHYDROXYBENZOIC ACID, 4-hydroxybenzoate 3-monooxygenase (NAD(P)H), CALCIUM ION, ... | 著者 | Fukushima, R, Katsuki, N, Fushinobu, S, Takaya, N. | 登録日 | 2023-06-14 | 公開日 | 2023-12-06 | 最終更新日 | 2024-01-03 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Protocatechuate hydroxylase is a novel group A flavoprotein monooxygenase with a unique substrate recognition mechanism. J.Biol.Chem., 300, 2023
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8JQO
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![BU of 8jqo by Molmil](/molmil-images/mine/8jqo) | Protocatecuate hydroxylase from Xylophilus ampelinus complexed with imidazole | 分子名称: | 4-hydroxybenzoate 3-monooxygenase (NAD(P)H), CALCIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Fukushima, R, Katsuki, N, Fushinobu, S, Takaya, N. | 登録日 | 2023-06-14 | 公開日 | 2023-12-06 | 最終更新日 | 2024-01-03 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Protocatechuate hydroxylase is a novel group A flavoprotein monooxygenase with a unique substrate recognition mechanism. J.Biol.Chem., 300, 2023
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5L8X
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4PPC
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4PPB
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3GJJ
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![BU of 3gjj by Molmil](/molmil-images/mine/3gjj) | crystal structure of a DNA duplex containing 7,8-dihydropyridol[2,3-d]pyrimidin-2-one | 分子名称: | 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, 5'-D(*CP*GP*CP*GP*AP*AP*TP*(B7C)P*CP*GP*CP*G)-3' | 著者 | Takenaka, A, Juan, E.C.M, Shimizu, S, Haraguchi, T, Xiao, M, Kurose, T, Ohkubo, A, Sekine, M, Shibata, T, Millington, C.L, Williams, D.M. | 登録日 | 2009-03-09 | 公開日 | 2010-03-31 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Insights into the stabilizing contributions of bicyclic cytosine analogues: crystal structures of DNA duplexes containing 7,8-dihydropyridol[2,3-d]pyrimidin-2-one To be Published
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4PPA
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