6JXK
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![BU of 6jxk by Molmil](/molmil-images/mine/6jxk) | Rb+-bound E2-MgF state of the gastric proton pump (Wild-type) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, MAGNESIUM ION, ... | Authors: | Abe, K, Irie, K, Yamamoto, K. | Deposit date: | 2019-04-23 | Release date: | 2019-08-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (4.3 Å) | Cite: | A single K + -binding site in the crystal structure of the gastric proton pump. Elife, 8, 2019
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6K4C
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![BU of 6k4c by Molmil](/molmil-images/mine/6k4c) | Ancestral luciferase AncLamp in complex with DLSA | Descriptor: | 5'-O-[N-(DEHYDROLUCIFERYL)-SULFAMOYL] ADENOSINE, Ancestral luciferase AncLamp, MAGNESIUM ION | Authors: | Oba, Y, Konishi, K, Yano, D, Kato, D, Shirai, T. | Deposit date: | 2019-05-23 | Release date: | 2020-05-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Resurrecting the ancient glow of the fireflies. Sci Adv, 6, 2020
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6K9U
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![BU of 6k9u by Molmil](/molmil-images/mine/6k9u) | Discovery of Pyrazolo[1,5-a]pyrimidine Derivative as a Highly Selective PDE10A Inhibitor | Descriptor: | 2-(3,7-dimethylquinoxalin-2-yl)-~{N}-(oxan-4-yl)-5-pyrrolidin-1-yl-pyrazolo[1,5-a]pyrimidin-7-amine, MAGNESIUM ION, SULFATE ION, ... | Authors: | Takedomi, K, Koizumi, Y. | Deposit date: | 2019-06-18 | Release date: | 2019-07-17 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Discovery of a pyrazolo[1,5-a]pyrimidine derivative (MT-3014) as a highly selective PDE10A inhibitor via core structure transformation from the stilbene moiety. Bioorg.Med.Chem., 27, 2019
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6JXI
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![BU of 6jxi by Molmil](/molmil-images/mine/6jxi) | Rb+-bound E2-MgF state of the gastric proton pump (Tyr799Trp) | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | Authors: | Abe, K, Irie, K. | Deposit date: | 2019-04-23 | Release date: | 2019-08-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A single K + -binding site in the crystal structure of the gastric proton pump. Elife, 8, 2019
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6JXJ
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![BU of 6jxj by Molmil](/molmil-images/mine/6jxj) | Rb+-bound E2-AlF state of the gastric proton pump (Tyr799Trp) | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | Authors: | Abe, K, Irie, K. | Deposit date: | 2019-04-23 | Release date: | 2019-08-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A single K + -binding site in the crystal structure of the gastric proton pump. Elife, 8, 2019
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6IVX
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![BU of 6ivx by Molmil](/molmil-images/mine/6ivx) | Discovery of the Second Generation ROR gamma Inhibitors Composed of an Azole Scaffold. | Descriptor: | (4S)-4-[4'-cyclopropyl-5-(2,2-dimethylpropyl)[3,5'-bi-1,2-oxazol]-3'-yl]-6-[(2,4-dichlorophenyl)amino]-6-oxohexanoic acid, Nuclear receptor ROR-gamma, Nuclear receptor corepressor 2 | Authors: | Noguchi, M, Nomura, A, Doi, S, Adachi, T. | Deposit date: | 2018-12-04 | Release date: | 2019-03-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Discovery of Second Generation ROR gamma Inhibitors Composed of an Azole Scaffold. J. Med. Chem., 62, 2019
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6KU3
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![BU of 6ku3 by Molmil](/molmil-images/mine/6ku3) | Crystal structure of gibberellin 2-oxidase3 (GA2ox3)in rice | Descriptor: | 2-OXOGLUTARIC ACID, GIBBERELLIN A4, GLYCEROL, ... | Authors: | Takehara, S, Mikami, B, Sakuraba, S, Matsuoka, M, Ueguchi-Tanaka, M. | Deposit date: | 2019-08-30 | Release date: | 2020-05-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | A common allosteric mechanism regulates homeostatic inactivation of auxin and gibberellin. Nat Commun, 11, 2020
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6KUN
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![BU of 6kun by Molmil](/molmil-images/mine/6kun) | Crystal structure of dioxygenase for auxin oxidation (DAO) in rice | Descriptor: | 1H-INDOL-3-YLACETIC ACID, 2-OXOGLUTARIC ACID, 2-oxoglutarate-dependent dioxygenase DAO, ... | Authors: | Takehara, S, Mikami, B, Sakuraba, S, Matsuoka, M, Ueguchi-Tanaka, M. | Deposit date: | 2019-09-02 | Release date: | 2020-05-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.002 Å) | Cite: | A common allosteric mechanism regulates homeostatic inactivation of auxin and gibberellin. Nat Commun, 11, 2020
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1L3H
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![BU of 1l3h by Molmil](/molmil-images/mine/1l3h) | NMR structure of P41icf, a potent inhibitor of human cathepsin L | Descriptor: | MHC CLASS II-ASSOCIATED P41 INVARIANT CHAIN FRAGMENT (P41icf) | Authors: | Chiva, C, Barthe, P, Codina, A, Giralt, E. | Deposit date: | 2002-02-27 | Release date: | 2003-03-04 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Synthesis and NMR structure of P41ICF, a potent inhibitor of human cathepsin L J.Am.Chem.Soc., 125, 2003
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7W64
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![BU of 7w64 by Molmil](/molmil-images/mine/7w64) | Crystal structure of minor pilin TcpB from Vibrio cholerae complexed with N-terminal peptide fragment of TcpF | Descriptor: | CALCIUM ION, CHLORIDE ION, PENTAETHYLENE GLYCOL, ... | Authors: | Oki, H, Kawahara, K, Iimori, M, Imoto, Y, Maruno, T, Uchiyama, S, Muroga, Y, Yoshida, A, Yoshida, T, Ohkubo, T, Matsuda, S, Iida, T, Nakamura, S. | Deposit date: | 2021-12-01 | Release date: | 2022-11-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for the toxin-coregulated pilus-dependent secretion of Vibrio cholerae colonization factor. Sci Adv, 8, 2022
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7W65
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![BU of 7w65 by Molmil](/molmil-images/mine/7w65) | Crystal structure of minor pilin TcpB from Vibrio cholerae complexed with secreted protein TcpF | Descriptor: | Toxin coregulated pilus biosynthesis protein F, Toxin-coregulated pilus biosynthesis protein B | Authors: | Oki, H, Kawahara, K, Iimori, M, Imoto, Y, Maruno, T, Uchiyama, S, Muroga, Y, Yoshida, A, Yoshida, T, Ohkubo, T, Matsuda, S, Iida, T, Nakamura, S. | Deposit date: | 2021-12-01 | Release date: | 2022-11-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (4.05 Å) | Cite: | Structural basis for the toxin-coregulated pilus-dependent secretion of Vibrio cholerae colonization factor. Sci Adv, 8, 2022
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7W63
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![BU of 7w63 by Molmil](/molmil-images/mine/7w63) | Crystal structure of minor pilin TcpB from Vibrio cholerae | Descriptor: | SULFATE ION, Toxin-coregulated pilus biosynthesis protein B | Authors: | Oki, H, Kawahara, K, Iimori, M, Imoto, Y, Maruno, T, Uchiyama, S, Muroga, Y, Yoshida, A, Yoshida, T, Ohkubo, T, Matsuda, S, Iida, T, Nakamura, S. | Deposit date: | 2021-12-01 | Release date: | 2022-11-09 | Last modified: | 2022-11-16 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Structural basis for the toxin-coregulated pilus-dependent secretion of Vibrio cholerae colonization factor. Sci Adv, 8, 2022
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2E4R
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![BU of 2e4r by Molmil](/molmil-images/mine/2e4r) | |
2EH4
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![BU of 2eh4 by Molmil](/molmil-images/mine/2eh4) | |
2ED5
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![BU of 2ed5 by Molmil](/molmil-images/mine/2ed5) | |
4X9J
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![BU of 4x9j by Molmil](/molmil-images/mine/4x9j) | EGR-1 with Doubly Methylated DNA | Descriptor: | DNA (5'-D(*AP*GP*(5CM)P*GP*TP*GP*GP*GP*(5CM)P*GP*T)-3'), DNA (5'-D(*TP*AP*(5CM)P*GP*CP*CP*CP*AP*(5CM)P*GP*C)-3'), Early growth response protein 1, ... | Authors: | White, M.A, Zandarashvili, L, Iwahara, J. | Deposit date: | 2014-12-11 | Release date: | 2015-05-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.412 Å) | Cite: | Structural impact of complete CpG methylation within target DNA on specific complex formation of the inducible transcription factor Egr-1. Febs Lett., 589, 2015
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4XIC
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![BU of 4xic by Molmil](/molmil-images/mine/4xic) | ANTPHD WITH 15BP di-thioate modified DNA DUPLEX | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*AP*GP*AP*AP*AP*GP*CP*(C2S)P*AP*TP*TP*AP*GP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*CP*TP*AP*AP*TP*GP*GP*CP*TP*TP*TP*C)-3'), ... | Authors: | White, M.A, Zandarashvili, L, Iwahara, J. | Deposit date: | 2015-01-06 | Release date: | 2015-11-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Entropic Enhancement of Protein-DNA Affinity by Oxygen-to-Sulfur Substitution in DNA Phosphate. Biophys.J., 109, 2015
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7W47
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![BU of 7w47 by Molmil](/molmil-images/mine/7w47) | Crystal structure of the gastric proton pump complexed with tegoprazan | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Potassium-transporting ATPase alpha chain 1, ... | Authors: | Abe, K, Tanaka, S, Morita, M, Yamagishi, T. | Deposit date: | 2021-11-26 | Release date: | 2022-01-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural Basis for Binding of Potassium-Competitive Acid Blockers to the Gastric Proton Pump. J.Med.Chem., 65, 2022
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5Y3K
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![BU of 5y3k by Molmil](/molmil-images/mine/5y3k) | Crystal structure of horse TLR9 in complex with two DNAs (CpG DNA and GCGCAC DNA) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DNA (5'-D(*AP*GP*GP*CP*GP*TP*TP*TP*TP*T)-3'), ... | Authors: | Ohto, U, Shimizu, T. | Deposit date: | 2017-07-29 | Release date: | 2018-04-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Toll-like Receptor 9 Contains Two DNA Binding Sites that Function Cooperatively to Promote Receptor Dimerization and Activation Immunity, 48, 2018
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7W4A
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![BU of 7w4a by Molmil](/molmil-images/mine/7w4a) | Cryo-EM structure of the gastric proton pump complexed with revaprazan | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, ... | Authors: | Abe, K, Tanaka, S, Morita, M, Yamagishi, T. | Deposit date: | 2021-11-26 | Release date: | 2022-03-02 | Last modified: | 2022-07-20 | Method: | ELECTRON MICROSCOPY (2.76 Å) | Cite: | Structural Basis for Binding of Potassium-Competitive Acid Blockers to the Gastric Proton Pump. J.Med.Chem., 65, 2022
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5Y3M
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![BU of 5y3m by Molmil](/molmil-images/mine/5y3m) | |
5Y3L
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![BU of 5y3l by Molmil](/molmil-images/mine/5y3l) | Crystal structure of horse TLR9 in complex with two DNAs (CpG DNA and CCGCAC DNA) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DNA (5'-D(*AP*GP*GP*CP*GP*TP*TP*TP*TP*T)-3'), ... | Authors: | Ohto, U, Shimizu, T. | Deposit date: | 2017-07-29 | Release date: | 2018-04-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Toll-like Receptor 9 Contains Two DNA Binding Sites that Function Cooperatively to Promote Receptor Dimerization and Activation Immunity, 48, 2018
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4Y59
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![BU of 4y59 by Molmil](/molmil-images/mine/4y59) | Crystal structure of ALiS1-Streptavidin complex | Descriptor: | 2-[3-(trifluoromethyl)phenyl]furo[3,2-c]pyridin-4(5H)-one, Streptavidin | Authors: | Sugiyama, S, Terai, T, Kohno, M, Ishida, H, Nagano, T. | Deposit date: | 2015-02-11 | Release date: | 2015-09-23 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Artificial Ligands of Streptavidin (ALiS): Discovery, Characterization, and Application for Reversible Control of Intracellular Protein Transport J.Am.Chem.Soc., 137, 2015
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5Z7Y
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![BU of 5z7y by Molmil](/molmil-images/mine/5z7y) | Crystal structure of Striga hermonthica HTL7 (ShHTL7) | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, Hyposensitive to light 7, ... | Authors: | Xu, Y, Miyakawa, T, Nakamura, A, Tanokura, M. | Deposit date: | 2018-01-30 | Release date: | 2018-08-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural analysis of HTL and D14 proteins reveals the basis for ligand selectivity in Striga. Nat Commun, 9, 2018
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5Z7Z
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![BU of 5z7z by Molmil](/molmil-images/mine/5z7z) | Crystal structure of Striga hermonthica Dwarf14 (ShD14) | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Dwarf 14, ... | Authors: | Xu, Y, Miyakawa, T, Nakamura, A, Tanokura, M. | Deposit date: | 2018-01-30 | Release date: | 2018-08-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.978 Å) | Cite: | Structural analysis of HTL and D14 proteins reveals the basis for ligand selectivity in Striga. Nat Commun, 9, 2018
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