5HWY
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![BU of 5hwy by Molmil](/molmil-images/mine/5hwy) | Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 10 mM Na+ and zero Ca2+ | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, ACETATE ION, PENTADECANE, ... | 著者 | Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D. | 登録日 | 2016-01-29 | 公開日 | 2016-05-18 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.098 Å) | 主引用文献 | Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger Nat.Struct.Mol.Biol., 23, 2016
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8QYP
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![BU of 8qyp by Molmil](/molmil-images/mine/8qyp) | Beta-cardiac myosin motor domain in the pre-powerstroke state | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Myosin-7, ... | 著者 | Robert-Paganin, J, Kikuti, C, Auguin, D, Rety, S, David, A, Houdusse, A. | 登録日 | 2023-10-26 | 公開日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.759 Å) | 主引用文献 | Omecamtiv mecarbil and Mavacamten target the same myosin pocket despite antagonistic effects in heart contraction. Biorxiv, 2023
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8QYR
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![BU of 8qyr by Molmil](/molmil-images/mine/8qyr) | Beta-cardiac myosin motor domain in the pre-powerstroke state complexed to Mavacamten | 分子名称: | 1,2-ETHANEDIOL, 6-[[(1~{S})-1-phenylethyl]amino]-3-propan-2-yl-1~{H}-pyrimidine-2,4-dione, ADENOSINE-5'-DIPHOSPHATE, ... | 著者 | Robert-Paganin, J, Kikuti, C, Auguin, D, Rety, S, David, A, Houdusse, A. | 登録日 | 2023-10-26 | 公開日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Omecamtiv mecarbil and Mavacamten target the same myosin pocket despite antagonistic effects in heart contraction. Biorxiv, 2023
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8R8A
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![BU of 8r8a by Molmil](/molmil-images/mine/8r8a) | |
6T7L
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![BU of 6t7l by Molmil](/molmil-images/mine/6t7l) | Crystal structure of AmpC from E.coli with Nacubactam (OP0595) | 分子名称: | (2S,5R)-N-(2-aminoethoxy)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-lactamase, ... | 著者 | Lang, P.A, Leissing, T.M, Schofield, C.J, Brem, J. | 登録日 | 2019-10-22 | 公開日 | 2020-11-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | Structural Investigations of the Inhibition of Escherichia coli AmpC beta-Lactamase by Diazabicyclooctanes. Antimicrob.Agents Chemother., 65, 2021
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8R4E
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![BU of 8r4e by Molmil](/molmil-images/mine/8r4e) | |
8QO1
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![BU of 8qo1 by Molmil](/molmil-images/mine/8qo1) | Asymmetric structure of the Borrelia bacteriophage BB1 procapsid, 3D class 3 | 分子名称: | Cytosolic protein, DUF228 domain-containing protein, Decoration protein P03, ... | 著者 | Rumnieks, J, Fuzik, T, Tars, K. | 登録日 | 2023-10-11 | 公開日 | 2023-12-27 | 実験手法 | ELECTRON MICROSCOPY (9.76 Å) | 主引用文献 | Structure of the Borrelia Bacteriophage phi BB1 Procapsid. J.Mol.Biol., 435, 2023
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8R4W
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![BU of 8r4w by Molmil](/molmil-images/mine/8r4w) | |
8QO0
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![BU of 8qo0 by Molmil](/molmil-images/mine/8qo0) | Asymmetric structure of the Borrelia bacteriophage BB1 procapsid, 3D class 2 | 分子名称: | Cytosolic protein, DUF228 domain-containing protein, Decoration protein P03, ... | 著者 | Rumnieks, J, Fuzik, T, Tars, K. | 登録日 | 2023-09-27 | 公開日 | 2023-12-27 | 実験手法 | ELECTRON MICROSCOPY (10.62 Å) | 主引用文献 | Structure of the Borrelia Bacteriophage phi BB1 Procapsid. J.Mol.Biol., 435, 2023
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8RI0
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![BU of 8ri0 by Molmil](/molmil-images/mine/8ri0) | |
6T35
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![BU of 6t35 by Molmil](/molmil-images/mine/6t35) | Crystal structure of AmpC from E.coli with Enmetazobactam (AAI-101) | 分子名称: | Beta-lactamase, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Lang, P.A, Leissing, T.M, Schofield, C.J, Brem, J. | 登録日 | 2019-10-10 | 公開日 | 2020-11-18 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Studies on enmetazobactam clarify mechanisms of widely used beta-lactamase inhibitors. Proc.Natl.Acad.Sci.USA, 119, 2022
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8QXB
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![BU of 8qxb by Molmil](/molmil-images/mine/8qxb) | TDP-43 amyloid fibrils: Morphology-2 | 分子名称: | TAR DNA-binding protein 43 | 著者 | Sharma, K, Shenoy, J, Loquet, A, Schmidt, M, Faendrich, M. | 登録日 | 2023-10-24 | 公開日 | 2024-01-24 | 実験手法 | ELECTRON MICROSCOPY (3.86 Å) | 主引用文献 | Cryo-EM observation of the amyloid key structure of polymorphic TDP-43 amyloid fibrils. Nat Commun, 15, 2024
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8QXA
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![BU of 8qxa by Molmil](/molmil-images/mine/8qxa) | TDP-43 amyloid fibrils: Morphology-1b | 分子名称: | TAR DNA-binding protein 43 | 著者 | Sharma, K, Shenoy, J, Loquet, A, Schmidt, M, Faendrich, M. | 登録日 | 2023-10-24 | 公開日 | 2024-01-24 | 実験手法 | ELECTRON MICROSCOPY (4.05 Å) | 主引用文献 | Cryo-EM observation of the amyloid key structure of polymorphic TDP-43 amyloid fibrils. Nat Commun, 15, 2024
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8QVI
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![BU of 8qvi by Molmil](/molmil-images/mine/8qvi) | Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound. | 分子名称: | Bifunctional epoxide hydrolase 2, DI(HYDROXYETHYL)ETHER | 著者 | Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G. | 登録日 | 2023-10-18 | 公開日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Exploring serial crystallography for drug discovery To Be Published
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6T78
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![BU of 6t78 by Molmil](/molmil-images/mine/6t78) | Structure of human Sox11 transcription factor in complex with a short DNA fragment | 分子名称: | DNA (5'-D(*AP*AP*CP*AP*AP*AP*AP*TP*AP*AP*AP*CP*AP*AP*TP*A)-3'), DNA (5'-D(*TP*AP*TP*TP*GP*TP*TP*TP*AP*TP*TP*TP*TP*GP*TP*T)-3'), Transcription factor SOX-11 | 著者 | Dodonova, S.O, Zhu, F, Dienemann, C, Taipale, J, Cramer, P. | 登録日 | 2019-10-21 | 公開日 | 2020-04-29 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.504 Å) | 主引用文献 | Nucleosome-bound SOX2 and SOX11 structures elucidate pioneer factor function. Nature, 580, 2020
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6T8B
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8QX9
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![BU of 8qx9 by Molmil](/molmil-images/mine/8qx9) | TDP-43 amyloid fibrils: Morphology-1a | 分子名称: | TAR DNA-binding protein 43 | 著者 | Sharma, K, Shenoy, J, Loquet, A, Schmidt, M, Faendrich, M. | 登録日 | 2023-10-24 | 公開日 | 2024-01-24 | 実験手法 | ELECTRON MICROSCOPY (3.76 Å) | 主引用文献 | Cryo-EM observation of the amyloid key structure of polymorphic TDP-43 amyloid fibrils. Nat Commun, 15, 2024
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8QVW
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![BU of 8qvw by Molmil](/molmil-images/mine/8qvw) | Cryo-EM structure of the peptide binding domain of human SRP68/72 | 分子名称: | Signal recognition particle subunit SRP68, Signal recognition particle subunit SRP72 | 著者 | Zhong, Y, Feng, J, Koh, A.F, Kotecha, A, Greber, B.J, Ataide, S.F. | 登録日 | 2023-10-18 | 公開日 | 2024-02-07 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Structure of nPBD of human SRP68/72 To Be Published
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8R12
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![BU of 8r12 by Molmil](/molmil-images/mine/8r12) | Structure of compound 8 bound to SARS-CoV-2 main protease | 分子名称: | 2-[[4-(5-chloranylpyridin-3-yl)carbonyl-1,4-diazepan-1-yl]methyl]benzenecarbonitrile, 3C-like proteinase, CHLORIDE ION, ... | 著者 | Mac Sweeney, A, Hazemann, J. | 登録日 | 2023-11-01 | 公開日 | 2024-02-07 | 最終更新日 | 2024-07-03 | 実験手法 | X-RAY DIFFRACTION (1.587 Å) | 主引用文献 | Identification of SARS-CoV-2 Mpro inhibitors through deep reinforcement learning for de novo drug design and computational chemistry approaches. Rsc Med Chem, 15, 2024
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8RCQ
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![BU of 8rcq by Molmil](/molmil-images/mine/8rcq) | Structural flexibility of Nucleoprotein of the Toscana virus in the presence of a nanobody. | 分子名称: | Nucleoprotein, VHH | 著者 | Papageorgiou, N, Ferron, F, Coutard, B, Lichiere, J, Baklouti, A. | 登録日 | 2023-12-06 | 公開日 | 2024-01-31 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (3.8 Å) | 主引用文献 | Structural flexibility of Toscana virus nucleoprotein in the presence of a single-chain camelid antibody. Acta Crystallogr D Struct Biol, 80, 2024
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5HYA
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![BU of 5hya by Molmil](/molmil-images/mine/5hya) | Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchangerNCX_Mj soaked with 150 mM Na+ and nominal Ca2+ | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, ACETATE ION, CALCIUM ION, ... | 著者 | Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D. | 登録日 | 2016-02-01 | 公開日 | 2016-05-11 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.897 Å) | 主引用文献 | Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger Nat.Struct.Mol.Biol., 23, 2016
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8R11
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![BU of 8r11 by Molmil](/molmil-images/mine/8r11) | Structure of compound 7 bound to SARS-CoV-2 main protease | 分子名称: | 1,2-ETHANEDIOL, 1-[(2~{S})-2-(3-chlorophenyl)pyrrolidin-1-yl]-2-(5-methylpyridin-3-yl)ethanone, 3C-like proteinase, ... | 著者 | Mac Sweeney, A, Hazemann, J. | 登録日 | 2023-11-01 | 公開日 | 2024-02-07 | 最終更新日 | 2024-07-03 | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | 主引用文献 | Identification of SARS-CoV-2 Mpro inhibitors through deep reinforcement learning for de novo drug design and computational chemistry approaches. Rsc Med Chem, 15, 2024
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8RIJ
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![BU of 8rij by Molmil](/molmil-images/mine/8rij) | Discovery of the first orally bioavailable ADAMTS7 inhibitor BAY-9835 | 分子名称: | CALCIUM ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Schafer, M, Meibom, D, Wasnaire, P, Beyer, K, Broehl, A, Cancho-Grande, Y, Elowe, N, Henninger, K, Johannes, S, Jungmann, N, Krainz, T, Lindner, N, Maassen, S, MacDonald, B, Menshykau, D, Mittendorf, J, Sanchez, G, Stefan, E, Torge, A, Xing, Y, Zubov, D. | 登録日 | 2023-12-18 | 公開日 | 2024-02-21 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | BAY-9835: Discovery of the First Orally Bioavailable ADAMTS7 Inhibitor. J.Med.Chem., 67, 2024
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8R14
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![BU of 8r14 by Molmil](/molmil-images/mine/8r14) | Structure of compound 11 bound to SARS-CoV-2 main protease | 分子名称: | (5-chloranylpyridin-3-yl)-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]methanone, 3C-like proteinase, BROMIDE ION, ... | 著者 | Mac Sweeney, A, Hazemann, J. | 登録日 | 2023-11-01 | 公開日 | 2024-02-07 | 最終更新日 | 2024-07-03 | 実験手法 | X-RAY DIFFRACTION (1.336 Å) | 主引用文献 | Identification of SARS-CoV-2 Mpro inhibitors through deep reinforcement learning for de novo drug design and computational chemistry approaches. Rsc Med Chem, 15, 2024
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8R16
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![BU of 8r16 by Molmil](/molmil-images/mine/8r16) | Structure of compound 12 bound to SARS-CoV-2 main protease | 分子名称: | 1,2-ETHANEDIOL, 1-[6,7-bis(chloranyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-(5-methylpyridin-3-yl)ethanone, 3C-like proteinase, ... | 著者 | Mac Sweeney, A, Hazemann, J. | 登録日 | 2023-11-01 | 公開日 | 2024-02-07 | 最終更新日 | 2024-07-03 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Identification of SARS-CoV-2 Mpro inhibitors through deep reinforcement learning for de novo drug design and computational chemistry approaches. Rsc Med Chem, 15, 2024
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