7Q5I
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![BU of 7q5i by Molmil](/molmil-images/mine/7q5i) | A glucose-based molecular rotor probes the catalytic site of glycogen phosphorylase. | 分子名称: | 2-cyano-3-[4-(dimethylamino)phenyl]-~{N}-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]propanamide, BETA-MERCAPTOETHANOL, CARBONATE ION, ... | 著者 | Neofytos, D.D, Chrysina, E.D. | 登録日 | 2021-11-03 | 公開日 | 2022-03-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | A glucose-based molecular rotor inhibitor of glycogen phosphorylase as a probe of cellular enzymatic function. Org.Biomol.Chem., 20, 2022
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5GMZ
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![BU of 5gmz by Molmil](/molmil-images/mine/5gmz) | Hepatitis B virus core protein Y132A mutant in complex with 4-methyl heteroaryldihydropyrimidine | 分子名称: | (2S)-4,4-difluoro-1-[[(4S)-4-(4-fluorophenyl)-5-methoxycarbonyl-4-methyl-2-(1,3-thiazol-2-yl)-1H-pyrimidin-6-yl]methyl]pyrrolidine-2-carboxylic acid, CHLORIDE ION, Core protein, ... | 著者 | Xu, Z.H, Zhou, Z. | 登録日 | 2016-07-18 | 公開日 | 2016-08-10 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Design and Synthesis of Orally Bioavailable 4-Methyl Heteroaryldihydropyrimidine Based Hepatitis B Virus (HBV) Capsid Inhibitors J.Med.Chem., 59, 2016
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6V3F
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![BU of 6v3f by Molmil](/molmil-images/mine/6v3f) | Structure of NPC1-like intracellular cholesterol transporter 1 (NPC1L1) | 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, CHOLESTEROL, ... | 著者 | Huang, C.S, Yu, X, Min, X, Wang, Z. | 登録日 | 2019-11-25 | 公開日 | 2020-07-01 | 最終更新日 | 2020-07-29 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | Cryo-EM structures of NPC1L1 reveal mechanisms of cholesterol transport and ezetimibe inhibition Sci Adv, 6, 2020
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6V3H
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![BU of 6v3h by Molmil](/molmil-images/mine/6v3h) | Structure of NPC1-like intracellular cholesterol transporter 1 (NPC1L1) in complex with an ezetimibe analog | 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, 4-[(2S,3R)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-(4-{3-[(methylsulfonyl)amino]prop-1-yn-1-yl}phenyl)-4-oxoazetidin-2-yl]phenyl beta-D-glucopyranosiduronic acid, ... | 著者 | Huang, C.S, Yu, X, Min, X, Wang, Z. | 登録日 | 2019-11-25 | 公開日 | 2020-07-01 | 最終更新日 | 2020-07-29 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Cryo-EM structures of NPC1L1 reveal mechanisms of cholesterol transport and ezetimibe inhibition Sci Adv, 6, 2020
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6NE7
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![BU of 6ne7 by Molmil](/molmil-images/mine/6ne7) | Structure of G810A mutant of RET protein tyrosine kinase domain. | 分子名称: | ADENOSINE MONOPHOSPHATE, FORMIC ACID, Proto-oncogene tyrosine-protein kinase receptor Ret | 著者 | Terzyan, S.S, Shen, T, Wu, J, Mooers, B.H.M. | 登録日 | 2018-12-17 | 公開日 | 2019-06-05 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Structural basis of resistance of mutant RET protein-tyrosine kinase to its inhibitors nintedanib and vandetanib. J.Biol.Chem., 294, 2019
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6NEC
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![BU of 6nec by Molmil](/molmil-images/mine/6nec) | STRUCTURE OF RET PROTEIN TYROSINE KINASE DOMAIN IN COMPLEX WITH NINTEDANIB | 分子名称: | FORMIC ACID, Proto-oncogene tyrosine-protein kinase receptor Ret, methyl (3Z)-3-{[(4-{methyl[(4-methylpiperazin-1-yl)acetyl]amino}phenyl)amino](phenyl)methylidene}-2-oxo-2,3-dihydro-1H-indole-6-carboxylate | 著者 | Terzyan, S.S, Shen, T, Wu, J, Mooers, B.H.M. | 登録日 | 2018-12-17 | 公開日 | 2019-06-05 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | Structural basis of resistance of mutant RET protein-tyrosine kinase to its inhibitors nintedanib and vandetanib. J.Biol.Chem., 294, 2019
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6NJA
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![BU of 6nja by Molmil](/molmil-images/mine/6nja) | Structure of WT RET protein tyrosine kinase domain at 1.92A resolution. | 分子名称: | ADENINE, FORMIC ACID, Proto-oncogene tyrosine-protein kinase receptor Ret | 著者 | Terzyan, S.S, Shen, T, Wu, J, Mooers, B.H.M. | 登録日 | 2019-01-02 | 公開日 | 2019-06-05 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Structural basis of resistance of mutant RET protein-tyrosine kinase to its inhibitors nintedanib and vandetanib. J.Biol.Chem., 294, 2019
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6H7E
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![BU of 6h7e by Molmil](/molmil-images/mine/6h7e) | GEF regulatory domain | 分子名称: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, SULFATE ION, cDNA FLJ56134, ... | 著者 | Ferrandez, Y, Cherfils, J, Peurois, F. | 登録日 | 2018-07-31 | 公開日 | 2020-02-19 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Membranes prime the RapGEF EPAC1 to transduce cAMP signaling. Nat Commun, 14, 2023
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7LB5
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7LB6
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![BU of 7lb6 by Molmil](/molmil-images/mine/7lb6) | PDX1.2/PDX1.3 co-expression complex | 分子名称: | Pyridoxal 5'-phosphate synthase subunit PDX1.3, Pyridoxal 5'-phosphate synthase-like subunit PDX1.2 | 著者 | Novikova, I.V, Evans, J.E. | 登録日 | 2021-01-07 | 公開日 | 2021-09-22 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (3.16 Å) | 主引用文献 | Tunable Heteroassembly of a Plant Pseudoenzyme-Enzyme Complex. Acs Chem.Biol., 16, 2021
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8B78
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![BU of 8b78 by Molmil](/molmil-images/mine/8b78) | KRasG12C ligand complex | 分子名称: | 1-[(4~{a}~{R})-8-(2-chloranyl-6-oxidanyl-phenyl)-7-fluoranyl-9-prop-1-ynyl-1,2,4,4~{a},5,11-hexahydropyrazino[2,1-c][1,4]benzoxazepin-3-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Phillips, C, Breed, J. | 登録日 | 2022-09-29 | 公開日 | 2023-07-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.11 Å) | 主引用文献 | Discovery of AZD4747, a Potent and Selective Inhibitor of Mutant GTPase KRAS G12C with Demonstrable CNS Penetration. J.Med.Chem., 66, 2023
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8B6I
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![BU of 8b6i by Molmil](/molmil-images/mine/8b6i) | KRasG12C ligand complex | 分子名称: | 1-[(4~{a}~{S})-7-chloranyl-8-(5-methyl-2~{H}-indazol-4-yl)-1,2,4,4~{a},5,11-hexahydropyrazino[2,1-c][1,4]benzoxazepin-3-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Phillips, C, Breed, J. | 登録日 | 2022-09-27 | 公開日 | 2023-07-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Discovery of AZD4747, a Potent and Selective Inhibitor of Mutant GTPase KRAS G12C with Demonstrable CNS Penetration. J.Med.Chem., 66, 2023
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6XZ8
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![BU of 6xz8 by Molmil](/molmil-images/mine/6xz8) | Structure of aldosterone synthase (CYP11B2) in complex with N-[(1R)-1-[5-(6-chloro-1,1-dimethyl-3-oxo-isoindolin-2-yl)-3-pyridyl]ethyl]methanesulfonamide | 分子名称: | Cytochrome P450 11B2, mitochondrial, HEME C, ... | 著者 | Kuglstatter, A, Joseph, C, Benz, J. | 登録日 | 2020-02-03 | 公開日 | 2020-06-24 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Discovery of 3-Pyridyl Isoindolin-1-one Derivatives as Potent, Selective, and Orally Active Aldosterone Synthase (CYP11B2) Inhibitors. J.Med.Chem., 63, 2020
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6XZ9
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![BU of 6xz9 by Molmil](/molmil-images/mine/6xz9) | Structure of aldosterone synthase (CYP11B2) in complex with 5-chloro-3,3-dimethyl-2-[5-[1-(1-methylpyrazole-4-carbonyl)azetidin-3-yl]oxy-3-pyridyl]isoindolin-1-one | 分子名称: | 5-chloranyl-3,3-dimethyl-2-[5-[1-(1-methylpyrazol-4-yl)carbonylazetidin-3-yl]oxypyridin-3-yl]isoindol-1-one, Cytochrome P450 11B2, mitochondrial, ... | 著者 | Kuglstatter, A, Joseph, C, Benz, J. | 登録日 | 2020-02-03 | 公開日 | 2020-06-24 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.77 Å) | 主引用文献 | Discovery of 3-Pyridyl Isoindolin-1-one Derivatives as Potent, Selective, and Orally Active Aldosterone Synthase (CYP11B2) Inhibitors. J.Med.Chem., 63, 2020
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8DL9
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8DLB
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![BU of 8dlb by Molmil](/molmil-images/mine/8dlb) | Room temperature X-ray structure of SARS-CoV-2 main protease in complex with compound Z2799209083 | 分子名称: | 1-[(5S)-5-(3,4-dimethoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one, 3C-like proteinase | 著者 | Kovalevsky, A.Y, Coates, L, Kneller, D.W. | 登録日 | 2022-07-07 | 公開日 | 2023-05-17 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | AI-Accelerated Design of Targeted Covalent Inhibitors for SARS-CoV-2. J.Chem.Inf.Model., 63, 2023
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6XKC
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![BU of 6xkc by Molmil](/molmil-images/mine/6xkc) | Crystal structure of E3 ligase | 分子名称: | Protein fem-1 homolog C | 著者 | Yan, X, Dong, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Min, J.R, Dong, C, Structural Genomics Consortium (SGC) | 登録日 | 2020-06-26 | 公開日 | 2020-10-14 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Molecular basis for ubiquitin ligase CRL2 FEM1C -mediated recognition of C-degron. Nat.Chem.Biol., 17, 2021
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5BV7
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![BU of 5bv7 by Molmil](/molmil-images/mine/5bv7) | Crystal structure of human LCAT (L4F, N5D) in complex with Fab of an agonistic antibody | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 27C3 heavy chain, 27C3 light chain, ... | 著者 | Piper, D.E, Romanow, W.G, Thibault, S.T, Walker, N.P.C. | 登録日 | 2015-06-04 | 公開日 | 2015-12-16 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Agonistic Human Antibodies Binding to Lecithin-Cholesterol Acyltransferase Modulate High Density Lipoprotein Metabolism. J.Biol.Chem., 291, 2016
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7TTI
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![BU of 7tti by Molmil](/molmil-images/mine/7tti) | Human KCC1 bound with VU0463271 In an outward-open state | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(6-phenylpyridazin-3-yl)sulfanyl]acetamide, Solute carrier family 12 member 4 | 著者 | Zhao, Y.X, Cao, E.H. | 登録日 | 2022-02-01 | 公開日 | 2022-06-29 | 最終更新日 | 2022-07-13 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Structure of the human cation-chloride cotransport KCC1 in an outward-open state. Proc.Natl.Acad.Sci.USA, 119, 2022
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7TTH
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![BU of 7tth by Molmil](/molmil-images/mine/7tth) | Human potassium-chloride cotransporter 1 in inward-open state | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, POTASSIUM ION, Solute carrier family 12 member 4 | 著者 | Zhao, Y.X, Cao, E.H. | 登録日 | 2022-02-01 | 公開日 | 2022-06-29 | 最終更新日 | 2022-07-13 | 実験手法 | ELECTRON MICROSCOPY (3.25 Å) | 主引用文献 | Structure of the human cation-chloride cotransport KCC1 in an outward-open state. Proc.Natl.Acad.Sci.USA, 119, 2022
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7MWH
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![BU of 7mwh by Molmil](/molmil-images/mine/7mwh) | Crystal structure of BAZ2A with DNA | 分子名称: | Bromodomain adjacent to zinc finger domain protein 2A, DNA (5'-D(*CP*GP*GP*AP*AP*TP*GP*TP*AP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*TP*AP*(5CM)P*AP*TP*TP*CP*CP*G)-3'), ... | 著者 | Liu, K, Dong, A, Li, Y, Loppnau, P, Edwards, A.M, Arrowsmith, C.H, Min, J, Structural Genomics Consortium (SGC) | 登録日 | 2021-05-17 | 公開日 | 2022-08-31 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | 主引用文献 | Crystal structure of the BAZ2B TAM domain. Heliyon, 8, 2022
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6U3G
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5BO1
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6WZG
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![BU of 6wzg by Molmil](/molmil-images/mine/6wzg) | Human secretin receptor Gs complex | 分子名称: | 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(s) subunit alpha isoforms short, ... | 著者 | Piper, S.J, Belousoff, M.J, Danev, R. | 登録日 | 2020-05-13 | 公開日 | 2020-08-12 | 最終更新日 | 2020-09-02 | 実験手法 | ELECTRON MICROSCOPY (2.3 Å) | 主引用文献 | Structure and dynamics of the active Gs-coupled human secretin receptor. Nat Commun, 11, 2020
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7CHA
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![BU of 7cha by Molmil](/molmil-images/mine/7cha) | Cryo-EM structure of P.aeruginosa MlaFEBD with AMPPNP | 分子名称: | 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, MlaD domain-containing protein, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | 著者 | Zhou, C, Shi, H, Zhang, M, Huang, Y. | 登録日 | 2020-07-05 | 公開日 | 2021-05-19 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | 主引用文献 | Structural Insight into Phospholipid Transport by the MlaFEBD Complex from P. aeruginosa. J.Mol.Biol., 433, 2021
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