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 | Descriptor: | 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, ... | Authors: | Abe, K, Yokoshima, S, Yoshimori, A. | Deposit date: | 2023-02-28 | Release date: | 2023-08-30 | Last modified: | 2023-10-04 | Method: | ELECTRON MICROSCOPY (2.08 Å) | Cite: | Deep learning driven de novo drug design based on gastric proton pump structures. Commun Biol, 6, 2023
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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 | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | Authors: | Abe, K, Yokoshima, S, Yoshimori, A. | Deposit date: | 2023-02-28 | Release date: | 2023-08-30 | Last modified: | 2023-10-04 | Method: | ELECTRON MICROSCOPY (2.19 Å) | Cite: | 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 | Descriptor: | 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, ... | Authors: | Abe, K, Yokoshima, S, Yoshimori, A. | Deposit date: | 2023-02-28 | Release date: | 2023-08-30 | Last modified: | 2023-10-04 | Method: | ELECTRON MICROSCOPY (2.1 Å) | Cite: | Deep learning driven de novo drug design based on gastric proton pump structures. Commun Biol, 6, 2023
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5IY5
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![BU of 5iy5 by Molmil](/molmil-images/mine/5iy5) | Electron transfer complex of cytochrome c and cytochrome c oxidase at 2.0 angstrom resolution | Descriptor: | (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, ... | Authors: | Shimada, S, Baba, J, Aoe, S, Shimada, A, Yamashita, E, Tsukihara, T. | Deposit date: | 2016-03-24 | Release date: | 2017-01-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Complex structure of cytochrome c-cytochrome c oxidase reveals a novel protein-protein interaction mode EMBO J., 36, 2017
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6IKO
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![BU of 6iko by Molmil](/molmil-images/mine/6iko) | Crystal structure of mouse GAS7cb | Descriptor: | Growth arrest-specific protein 7 | Authors: | Hanawa-Suetsugu, K, Itoh, Y, Kohda, D, Shimada, A, Suetsugu, S. | Deposit date: | 2018-10-16 | Release date: | 2019-10-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.756 Å) | Cite: | Phagocytosis is mediated by two-dimensional assemblies of the F-BAR protein GAS7. Nat Commun, 10, 2019
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6IKN
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![BU of 6ikn by Molmil](/molmil-images/mine/6ikn) | Crystal structure of the GAS7 F-BAR domain | Descriptor: | Growth arrest-specific protein 7 | Authors: | Hanawa-Suetsugu, K, Itoh, Y, Kohda, D, Shimada, A, Suetsugu, S. | Deposit date: | 2018-10-16 | Release date: | 2019-10-16 | Last modified: | 2019-10-30 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Phagocytosis is mediated by two-dimensional assemblies of the F-BAR protein GAS7. Nat Commun, 10, 2019
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7Y13
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![BU of 7y13 by Molmil](/molmil-images/mine/7y13) | Cryo-EM structure of apo-state MrgD-Gi complex (local) | Descriptor: | PALMITIC ACID, Soluble cytochrome b562,Mas-related G-protein coupled receptor member D | Authors: | Suzuki, S, Iida, M, Kawamoto, A, Oshima, A. | Deposit date: | 2022-06-06 | Release date: | 2022-07-20 | Last modified: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural insight into the activation mechanism of MrgD with heterotrimeric Gi-protein revealed by cryo-EM. Commun Biol, 5, 2022
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7Y12
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![BU of 7y12 by Molmil](/molmil-images/mine/7y12) | Cryo-EM structure of MrgD-Gi complex with beta-alanine | Descriptor: | BETA-ALANINE, 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, ... | Authors: | Suzuki, S, Iida, M, Kawamoto, A, Oshima, A. | Deposit date: | 2022-06-06 | Release date: | 2022-07-20 | Last modified: | 2023-02-15 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural insight into the activation mechanism of MrgD with heterotrimeric Gi-protein revealed by cryo-EM. Commun Biol, 5, 2022
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7Y14
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![BU of 7y14 by Molmil](/molmil-images/mine/7y14) | Cryo-EM structure of MrgD-Gi complex with beta-alanine (local) | Descriptor: | BETA-ALANINE, PALMITIC ACID, Soluble cytochrome b562,Mas-related G-protein coupled receptor member D | Authors: | Suzuki, S, Iida, M, Kawamoto, A, Oshima, A. | Deposit date: | 2022-06-06 | Release date: | 2022-07-20 | Last modified: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural insight into the activation mechanism of MrgD with heterotrimeric Gi-protein revealed by cryo-EM. Commun Biol, 5, 2022
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7Y15
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![BU of 7y15 by Molmil](/molmil-images/mine/7y15) | Cryo-EM structure of apo-state MrgD-Gi complex | Descriptor: | 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, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Suzuki, S, Iida, M, Kawamoto, A, Oshima, A. | Deposit date: | 2022-06-06 | Release date: | 2022-07-20 | Last modified: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural insight into the activation mechanism of MrgD with heterotrimeric Gi-protein revealed by cryo-EM. Commun Biol, 5, 2022
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6K8Q
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![BU of 6k8q by Molmil](/molmil-images/mine/6k8q) | Solution structure of the intermembrane space domain of the mitochondrial import protein Tim21 from S. cerevisiae | Descriptor: | Mitochondrial import inner membrane translocase subunit TIM21 | Authors: | Bala, S, Shinya, S, Srivastava, A, Shimada, A, Kobayashi, N, Kojima, C, Tama, F, Miyashita, O, Kohda, D. | Deposit date: | 2019-06-13 | Release date: | 2019-09-11 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Crystal contact-free conformation of an intrinsically flexible loop in protein crystal: Tim21 as the case study. Biochim Biophys Acta Gen Subj, 1864, 2020
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7W9Q
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![BU of 7w9q by Molmil](/molmil-images/mine/7w9q) | Crystal structure of V30M-TTR in complex with naringenin derivative-14 | Descriptor: | (2~{R})-2-(3-chloranyl-4-oxidanyl-phenyl)-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one, CALCIUM ION, Transthyretin | Authors: | Katayama, W, Shimane, A, Nabeshima, Y, Yokoyama, T, Mizuguchi, M. | Deposit date: | 2021-12-10 | Release date: | 2022-12-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.599 Å) | Cite: | Chlorinated Naringenin Analogues as Potential Inhibitors of Transthyretin Amyloidogenesis. J.Med.Chem., 65, 2022
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7W9R
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![BU of 7w9r by Molmil](/molmil-images/mine/7w9r) | Crystal structure of V30M-TTR in complex with naringenin derivative-18 | Descriptor: | (2~{R})-2-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one, Transthyretin | Authors: | Katayama, W, Shimane, A, Nabeshima, Y, Yokoyama, T, Mizuguchi, M. | Deposit date: | 2021-12-10 | Release date: | 2022-12-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.997 Å) | Cite: | Chlorinated Naringenin Analogues as Potential Inhibitors of Transthyretin Amyloidogenesis. J.Med.Chem., 65, 2022
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6K7E
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![BU of 6k7e by Molmil](/molmil-images/mine/6k7e) | |
5XDQ
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![BU of 5xdq by Molmil](/molmil-images/mine/5xdq) | Bovine heart cytochrome c oxidase in the fully oxidized state with pH 7.3 at 1.77 angstrom resolution | Descriptor: | (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, ... | Authors: | Luo, F.J, Shimada, A, Hagimoto, N, Shimada, S, Shinzawa-Itoh, K, Yamashita, E, Yoshikawa, S, Tsukihara, T. | Deposit date: | 2017-03-29 | Release date: | 2017-07-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Structure of bovine cytochrome c oxidase crystallized at a neutral pH using a fluorinated detergent. Acta Crystallogr F Struct Biol Commun, 73, 2017
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5XDX
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![BU of 5xdx by Molmil](/molmil-images/mine/5xdx) | Bovine heart cytochrome c oxidase in the reduced state with pH 7.3 at 1.99 angstrom resolution | Descriptor: | (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, ... | Authors: | Luo, F.J, Shimada, A, Hagimoto, N, Shimada, S, Shinzawa-Itoh, K, Yamashita, E, Yoshikawa, S, Tsukihara, T. | Deposit date: | 2017-03-30 | Release date: | 2018-02-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structure of bovine cytochrome c oxidase in the ligand-free reduced state at neutral pH. Acta Crystallogr F Struct Biol Commun, 74, 2018
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2PT5
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![BU of 2pt5 by Molmil](/molmil-images/mine/2pt5) | Crystal Structure Of Shikimate Kinase (aq_2177) From Aquifex Aeolicus vf5 | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Shikimate kinase | Authors: | Jeyakanthan, J, Nithya, N, Shimada, A, Velmurugan, D, Ebihara, A, Shinkai, A, Kuramitsu, S, Shiro, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-05-08 | Release date: | 2008-05-13 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure Of Shikimate Kinase (aq_2177) From Aquifex Aeolicus vf5 To be Published
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6K7F
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![BU of 6k7f by Molmil](/molmil-images/mine/6k7f) | Crystal structure of MBPholo-Tim21 fusion protein with a 17-residue helical linker | Descriptor: | Maltose/maltodextrin-binding periplasmic protein,Mitochondrial import inner membrane translocase subunit TIM21, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Bala, S, Shimada, A, Kohda, D. | Deposit date: | 2019-06-07 | Release date: | 2019-09-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal contact-free conformation of an intrinsically flexible loop in protein crystal: Tim21 as the case study. Biochim Biophys Acta Gen Subj, 1864, 2020
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6K7D
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![BU of 6k7d by Molmil](/molmil-images/mine/6k7d) | |
6K52
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![BU of 6k52 by Molmil](/molmil-images/mine/6k52) | Hyperthermophilic GH6 cellobiohydrolase (HmCel6A) from the microbial flora of a Japanese hot spring | Descriptor: | ACETATE ION, CALCIUM ION, GH6 cellobiohydrolase, ... | Authors: | Baba, S, Takeda, M, Okuma, J, Hirose, Y, Nishimura, A, Takata, M, Oda, K, Shibata, D, Kondo, Y, Kumasaka, T. | Deposit date: | 2019-05-28 | Release date: | 2020-06-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.68000138 Å) | Cite: | A hyperthermophilic cellobiohydrolase mined from a hot spring metagenomic data To Be Published
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6KFH
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![BU of 6kfh by Molmil](/molmil-images/mine/6kfh) | Undocked hemichannel of an N-terminal deletion mutant of INX-6 in a nanodisc | Descriptor: | Innexin-6 | Authors: | Burendei, B, Shinozaki, R, Watanabe, M, Terada, T, Tani, K, Fujiyoshi, Y, Oshima, A. | Deposit date: | 2019-07-07 | Release date: | 2020-02-12 | Last modified: | 2020-03-11 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Cryo-EM structures of undocked innexin-6 hemichannels in phospholipids. Sci Adv, 6, 2020
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7VBU
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![BU of 7vbu by Molmil](/molmil-images/mine/7vbu) | Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 5 | Descriptor: | 8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indole, ACETATE ION, CHLORIDE ION, ... | Authors: | Orita, T, Doi, S, Iwanaga, T, Fujishima, A, Adachi, T. | Deposit date: | 2021-09-01 | Release date: | 2022-02-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structure-based drug design of novel and highly potent pyruvate dehydrogenase kinase inhibitors. Bioorg.Med.Chem., 52, 2021
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7VBX
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![BU of 7vbx by Molmil](/molmil-images/mine/7vbx) | Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 20 | Descriptor: | (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, ... | Authors: | Orita, T, Doi, S, Iwanaga, T, Fujishima, A, Adachi, T. | Deposit date: | 2021-09-01 | Release date: | 2022-02-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-based drug design of novel and highly potent pyruvate dehydrogenase kinase inhibitors. Bioorg.Med.Chem., 52, 2021
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7VBV
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![BU of 7vbv by Molmil](/molmil-images/mine/7vbv) | Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 7 | Descriptor: | ACETATE ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Orita, T, Doi, S, Iwanaga, T, Fujishima, A, Adachi, T. | Deposit date: | 2021-09-01 | Release date: | 2022-02-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Structure-based drug design of novel and highly potent pyruvate dehydrogenase kinase inhibitors. Bioorg.Med.Chem., 52, 2021
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7WSV
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![BU of 7wsv by Molmil](/molmil-images/mine/7wsv) | Cryo-EM structure of the N-terminal deletion mutant of human pannexin-1 in a nanodisc | Descriptor: | Pannexin-1 | Authors: | Kuzuya, M, Hirano, H, Hayashida, K, Watanabe, M, Kobayashi, K, Tani, K, Fujiyoshi, Y, Oshima, A. | Deposit date: | 2022-02-01 | Release date: | 2022-02-16 | Last modified: | 2022-02-23 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Structures of human pannexin-1 in nanodiscs reveal gating mediated by dynamic movement of the N terminus and phospholipids. Sci.Signal., 15, 2022
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