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5IY5
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BU of 5iy5 by Molmil
Electron transfer complex of cytochrome c and cytochrome c oxidase at 2.0 angstrom resolution
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, S, Baba, J, Aoe, S, Shimada, A, Yamashita, E, Tsukihara, T.
登録日2016-03-24
公開日2017-01-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Complex structure of cytochrome c-cytochrome c oxidase reveals a novel protein-protein interaction mode
EMBO J., 36, 2017
6KFG
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BU of 6kfg by Molmil
Undocked INX-6 hemichannel in detergent
分子名称: Innexin-6
著者Burendei, B, Shinozaki, R, Watanabe, M, Terada, T, Tani, K, Fujiyoshi, Y, Oshima, A.
登録日2019-07-07
公開日2020-02-12
最終更新日2020-03-11
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Cryo-EM structures of undocked innexin-6 hemichannels in phospholipids.
Sci Adv, 6, 2020
6K55
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BU of 6k55 by Molmil
Inactivated mutant (D140A) of Hyperthermophilic GH6 cellobiohydrolase II (HmCel6A) in complex with hexasaccharide
分子名称: Glucanase, MAGNESIUM ION, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
著者Baba, S, Takeda, M, Okuma, J, Hirose, Y, Nishimura, A, Takata, M, Oda, K, Shibata, D, Kondo, Y, Kumasaka, T.
登録日2019-05-28
公開日2020-06-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.883 Å)
主引用文献A hyperthermophilic cellobiohydrolase mined from a hot spring metagenomic data
To Be Published
6K53
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A variant of metagenome-derived GH6 cellobiohydrolase, HmCel6A (P88S/L230F/F414S)
分子名称: CITRATE ANION, GH6 cellobiohydrolase, HMCEL6A, ...
著者Baba, S, Takeda, M, Okuma, J, Hirose, Y, Nishimura, A, Takata, M, Oda, K, Shibata, D, Kondo, Y, Kumasaka, T.
登録日2019-05-28
公開日2020-06-03
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献A hyperthermophilic GH6 cellobiohydrolase (HmCel6A) from a hot spring metagenomic data
To Be Published
6K54
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BU of 6k54 by Molmil
Hyperthermophilic GH6 cellobiohydrolase II (HmCel6A) in complex with trisaccharide
分子名称: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Baba, S, Takeda, M, Okuma, J, Hirose, Y, Nishimura, A, Takata, M, Oda, K, Shibata, D, Kondo, Y, Kumasaka, T.
登録日2019-05-28
公開日2020-06-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.905 Å)
主引用文献Novel hyperthermophilic cellobiohydrolase II isolated from hot spring microbial community
To Be Published
6JBC
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BU of 6jbc by Molmil
Phosphotransferase related to CoA biosynthesis pathway
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
著者Kita, A, Kishimoto, A, Shimosaka, T, Tomita, H, Yokooji, Y, Imanaka, T, Atomi, H, Miki, K.
登録日2019-01-25
公開日2020-01-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of pantoate kinase from Thermococcus kodakarensis.
Proteins, 88, 2020
7EAY
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BU of 7eay by Molmil
DNA containing Cu(II)-mediated 4-N-carboxymethylcytosine base pairs
分子名称: COBALT (II) ION, COBALT HEXAMMINE(III), COPPER (II) ION, ...
著者Kondo, J, Terashima, A, Yoshimura, A, Tada, Y, Ono, A.
登録日2021-03-08
公開日2022-03-09
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献DNA containing Cu(II)-mediated 4-N-carboxymethylcytosine base pairs
To Be Published
1IPC
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BU of 1ipc by Molmil
CRYSTAL STRUCTURE OF EUKARYOTIC INITIATION FACTOR 4E COMPLEXED WITH 7-METHYL GTP
分子名称: 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, EUKARYOTIC TRANSLATION INITIATION FACTOR 4E
著者Tomoo, K, Shen, X, Okabe, K, Nozoe, Y, Fukuhara, S, Morino, S, Ishida, T, Taniguchi, T, Hasegawa, H, Terashima, A, Sasaki, M, Katsuya, Y, Kitamura, K, Miyoshi, H, Ishikawa, M, Miura, K.
登録日2001-05-08
公開日2002-05-08
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structures of 7-methylguanosine 5'-triphosphate (m(7)GTP)- and P(1)-7-methylguanosine-P(3)-adenosine-5',5'-triphosphate (m(7)GpppA)-bound human full-length eukaryotic initiation factor 4E: biological importance of the C-terminal flexible region
BIOCHEM.J., 362, 2002
1ILE
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BU of 1ile by Molmil
ISOLEUCYL-TRNA SYNTHETASE
分子名称: ISOLEUCYL-TRNA SYNTHETASE, ZINC ION
著者Nureki, O, Vassylyev, D.G, Tateno, M, Shimada, A, Nakama, T, Fukai, S, Konno, M, Schimmel, P, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日1998-02-24
公開日1999-04-13
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Enzyme structure with two catalytic sites for double-sieve selection of substrate.
Science, 280, 1998
8JMN
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BU of 8jmn by Molmil
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2024-10-09
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
5NFF
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BU of 5nff by Molmil
Crystal structure of GP1 receptor binding domain from Morogoro virus
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, ...
著者Israeli, H, Cohen-Dvashi, H, Shulman, A, Shimon, A, Diskin, R.
登録日2017-03-14
公開日2017-04-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.615 Å)
主引用文献Mapping of the Lassa virus LAMP1 binding site reveals unique determinants not shared by other old world arenaviruses.
PLoS Pathog., 13, 2017
8IJV
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BU of 8ijv by Molmil
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2024-10-09
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
8IJW
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BU of 8ijw by Molmil
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
8IJX
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BU of 8ijx by Molmil
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2024-10-16
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
1BM0
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BU of 1bm0 by Molmil
CRYSTAL STRUCTURE OF HUMAN SERUM ALBUMIN
分子名称: SERUM ALBUMIN
著者Sugio, S, Kashima, A, Mochizuki, S, Noda, M, Kobayashi, K.
登録日1998-07-28
公開日1999-07-28
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of human serum albumin at 2.5 A resolution.
Protein Eng., 12, 1999
6IKN
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BU of 6ikn by Molmil
Crystal structure of the GAS7 F-BAR domain
分子名称: Growth arrest-specific protein 7
著者Hanawa-Suetsugu, K, Itoh, Y, Kohda, D, Shimada, A, Suetsugu, S.
登録日2018-10-16
公開日2019-10-16
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Phagocytosis is mediated by two-dimensional assemblies of the F-BAR protein GAS7.
Nat Commun, 10, 2019
6IKO
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BU of 6iko by Molmil
Crystal structure of mouse GAS7cb
分子名称: Growth arrest-specific protein 7
著者Hanawa-Suetsugu, K, Itoh, Y, Kohda, D, Shimada, A, Suetsugu, S.
登録日2018-10-16
公開日2019-10-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.756 Å)
主引用文献Phagocytosis is mediated by two-dimensional assemblies of the F-BAR protein GAS7.
Nat Commun, 10, 2019
7W9Q
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BU of 7w9q by Molmil
Crystal structure of V30M-TTR in complex with naringenin derivative-14
分子名称: (2~{R})-2-(3-chloranyl-4-oxidanyl-phenyl)-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one, CALCIUM ION, Transthyretin
著者Katayama, W, Shimane, A, Nabeshima, Y, Yokoyama, T, Mizuguchi, M.
登録日2021-12-10
公開日2022-12-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.599 Å)
主引用文献Chlorinated Naringenin Analogues as Potential Inhibitors of Transthyretin Amyloidogenesis.
J.Med.Chem., 65, 2022
7W9R
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BU of 7w9r by Molmil
Crystal structure of V30M-TTR in complex with naringenin derivative-18
分子名称: (2~{R})-2-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one, Transthyretin
著者Katayama, W, Shimane, A, Nabeshima, Y, Yokoyama, T, Mizuguchi, M.
登録日2021-12-10
公開日2022-12-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.997 Å)
主引用文献Chlorinated Naringenin Analogues as Potential Inhibitors of Transthyretin Amyloidogenesis.
J.Med.Chem., 65, 2022
6K8Q
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BU of 6k8q by Molmil
Solution structure of the intermembrane space domain of the mitochondrial import protein Tim21 from S. cerevisiae
分子名称: Mitochondrial import inner membrane translocase subunit TIM21
著者Bala, S, Shinya, S, Srivastava, A, Shimada, A, Kobayashi, N, Kojima, C, Tama, F, Miyashita, O, Kohda, D.
登録日2019-06-13
公開日2019-09-11
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Crystal contact-free conformation of an intrinsically flexible loop in protein crystal: Tim21 as the case study.
Biochim Biophys Acta Gen Subj, 1864, 2020
6K7E
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BU of 6k7e by Molmil
Crystal structure of MBPapo-Tim21 fusion protein with a 17-residue helical linker
分子名称: Maltose/maltodextrin-binding periplasmic protein,Mitochondrial import inner membrane translocase subunit TIM21
著者Bala, S, Shimada, A, Kohda, D.
登録日2019-06-07
公開日2019-09-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.534 Å)
主引用文献Crystal contact-free conformation of an intrinsically flexible loop in protein crystal: Tim21 as the case study.
Biochim Biophys Acta Gen Subj, 1864, 2020
5XDX
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BU of 5xdx by Molmil
Bovine heart cytochrome c oxidase in the reduced state with pH 7.3 at 1.99 angstrom resolution
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Luo, F.J, Shimada, A, Hagimoto, N, Shimada, S, Shinzawa-Itoh, K, Yamashita, E, Yoshikawa, S, Tsukihara, T.
登録日2017-03-30
公開日2018-02-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structure of bovine cytochrome c oxidase in the ligand-free reduced state at neutral pH.
Acta Crystallogr F Struct Biol Commun, 74, 2018
5XDQ
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BU of 5xdq by Molmil
Bovine heart cytochrome c oxidase in the fully oxidized state with pH 7.3 at 1.77 angstrom resolution
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Luo, F.J, Shimada, A, Hagimoto, N, Shimada, S, Shinzawa-Itoh, K, Yamashita, E, Yoshikawa, S, Tsukihara, T.
登録日2017-03-29
公開日2017-07-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Structure of bovine cytochrome c oxidase crystallized at a neutral pH using a fluorinated detergent.
Acta Crystallogr F Struct Biol Commun, 73, 2017
7VBU
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BU of 7vbu by Molmil
Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 5
分子名称: 8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indole, ACETATE ION, CHLORIDE ION, ...
著者Orita, T, Doi, S, Iwanaga, T, Fujishima, A, Adachi, T.
登録日2021-09-01
公開日2022-02-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structure-based drug design of novel and highly potent pyruvate dehydrogenase kinase inhibitors.
Bioorg.Med.Chem., 52, 2021
7VBX
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BU of 7vbx by Molmil
Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 20
分子名称: (3~{S})-3-[5-(8-cyclopropyl-2-methyl-9~{H}-pyrido[2,3-b]indol-3-yl)-1,3,4-oxadiazol-2-yl]-4-methyl-~{N}-[(1~{R})-1-phenylethyl]pentanamide, ACETATE ION, CHLORIDE ION, ...
著者Orita, T, Doi, S, Iwanaga, T, Fujishima, A, Adachi, T.
登録日2021-09-01
公開日2022-02-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure-based drug design of novel and highly potent pyruvate dehydrogenase kinase inhibitors.
Bioorg.Med.Chem., 52, 2021

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