4W6E
| Human Tankyrase 1 with small molecule inhibitor | 分子名称: | 2-(4-{6-[(3S)-3,4-dimethylpiperazin-1-yl]-4-methylpyridin-3-yl}phenyl)-8-(hydroxymethyl)quinazolin-4(3H)-one, Tankyrase-1, ZINC ION | 著者 | Kazmirski, S.L, Johannes, J, Boriack-Sjodin, P.A, Howard, T. | 登録日 | 2014-08-20 | 公開日 | 2015-05-13 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Pyrimidinone nicotinamide mimetics as selective tankyrase and wnt pathway inhibitors suitable for in vivo pharmacology. Acs Med.Chem.Lett., 6, 2015
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4W5S
| Tankyrase in complex with compound | 分子名称: | 8-(hydroxymethyl)-2-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]quinazolin-4(3H)-one, GLYCEROL, Tankyrase-1, ... | 著者 | Johannes, J, Kazmirski, S.L, Boriack-Sjodin, P.A, Howard, T. | 登録日 | 2014-08-18 | 公開日 | 2015-05-13 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Pyrimidinone nicotinamide mimetics as selective tankyrase and wnt pathway inhibitors suitable for in vivo pharmacology. Acs Med.Chem.Lett., 6, 2015
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4WZ6
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6TXZ
| FAB PART OF M6903 IN COMPLEX WITH HUMAN TIM3 | 分子名称: | Fab H, Fab L, Hepatitis A virus cellular receptor 2 | 著者 | Musil, D, Sood, V. | 登録日 | 2020-01-15 | 公開日 | 2020-04-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (3.06 Å) | 主引用文献 | Identification and characterization of M6903, an antagonistic anti-TIM-3 monoclonal antibody. Oncoimmunology, 9, 2020
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6ZOQ
| Oestrogen receptor ligand binding domain in complex with compound 16 | 分子名称: | Estrogen receptor, ~{N}-[4-[(6~{S},8~{R})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-3-methoxy-phenyl]-1-(3-fluoranylpropyl)azetidin-3-amine | 著者 | Breed, J. | 登録日 | 2020-07-07 | 公開日 | 2021-01-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Discovery of AZD9833, a Potent and Orally Bioavailable Selective Estrogen Receptor Degrader and Antagonist. J.Med.Chem., 63, 2020
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6ZOR
| Oestrogen receptor ligand binding domain in complex with compound 28 | 分子名称: | 6-[(6~{S},8~{R})-8-methyl-7-[2,2,2-tris(fluoranyl)ethyl]-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{N}-(1-propylazetidin-3-yl)pyridin-3-amine, Estrogen receptor | 著者 | Breed, J. | 登録日 | 2020-07-07 | 公開日 | 2021-01-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Discovery of AZD9833, a Potent and Orally Bioavailable Selective Estrogen Receptor Degrader and Antagonist. J.Med.Chem., 63, 2020
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6ZOS
| Oestrogen receptor ligand binding domain in complex with compound 18 | 分子名称: | 6-[(6~{S},8~{R})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{N}-[1-(3-fluoranylpropyl)azetidin-3-yl]pyridin-3-amine, Estrogen receptor | 著者 | Breed, J. | 登録日 | 2020-07-07 | 公開日 | 2021-01-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of AZD9833, a Potent and Orally Bioavailable Selective Estrogen Receptor Degrader and Antagonist. J.Med.Chem., 63, 2020
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6AEJ
| Crystal structure of human FTO in complex with small-molecule inhibitors | 分子名称: | (E)-3-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-(1,3-oxazinan-3-ylcarbonyl)prop-2-enenitrile, Alpha-ketoglutarate-dependent dioxygenase FTO,Alpha-ketoglutarate-dependent dioxygenase FTO, ZINC ION | 著者 | Wang, Y, Cao, R, Peng, S, Zhang, W, Huang, N. | 登録日 | 2018-08-05 | 公開日 | 2019-06-19 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Identification of entacapone as a chemical inhibitor of FTO mediating metabolic regulation through FOXO1. Sci Transl Med, 11, 2019
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6AK4
| Crystal structure of human FTO in complex with small-molecule inhibitors | 分子名称: | (~{E})-2-cyano-~{N},~{N}-diethyl-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enamide, Alpha-ketoglutarate-dependent dioxygenase FTO,Alpha-ketoglutarate-dependent dioxygenase FTO, ZINC ION | 著者 | Wang, Y, Cao, R, Peng, S, Zhang, W, Huang, N. | 登録日 | 2018-08-30 | 公開日 | 2019-07-10 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Identification of entacapone as a chemical inhibitor of FTO mediating metabolic regulation through FOXO1. Sci Transl Med, 11, 2019
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8BI2
| Syk kinase domain in complex with macrocyclic inhibitor 20a | 分子名称: | 10,13,23-trimethyl-16-oxa-2,4,8,9,13,19,23,30-octazapentacyclo[19.5.2.1^{3,7}.1^{8,11}.0^{24,28}]triaconta-1(27),3,5,7(30),9,11(29),21,24(28),25-nonaen-20-one, Tyrosine-protein kinase SYK | 著者 | Read, J.A, Patel, J. | 登録日 | 2022-11-01 | 公開日 | 2023-06-14 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.508 Å) | 主引用文献 | Optimization of a series of novel, potent and selective Macrocyclic SYK inhibitors. Bioorg.Med.Chem.Lett., 91, 2023
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6NW2
| Structure of human RIPK1 kinase domain in complex with compound 11 | 分子名称: | (5R)-5-methyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 1 | 著者 | Fong, R, Lupardus, P.J. | 登録日 | 2019-02-05 | 公開日 | 2019-05-01 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Potent and selective inhibitors of receptor-interacting protein kinase 1 that lack an aromatic back pocket group. Bioorg.Med.Chem.Lett., 29, 2019
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6ORN
| Modified BG505 SOSIP-based immunogen RC1 in complex with the elicited V3-glycan patch bNAb 10-1074 | 分子名称: | 10-1074 antibody Fab heavy chain, 10-1074 antibody Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Abernathy, M.E, Gristick, H.B, Bjorkman, P.J. | 登録日 | 2019-04-30 | 公開日 | 2019-06-12 | 最終更新日 | 2020-07-29 | 実験手法 | ELECTRON MICROSCOPY (4.05 Å) | 主引用文献 | Immunization expands B cells specific to HIV-1 V3 glycan in mice and macaques. Nature, 570, 2019
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6ORO
| Modified BG505 SOSIP-based immunogen RC1 in complex with the elicited V3-glycan patch antibody Ab874NHP | 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, Ab874NHP antibody Fab heavy chain, ... | 著者 | Abernathy, M.E, Gristick, H.B, Bjorkman, P.J. | 登録日 | 2019-04-30 | 公開日 | 2019-06-12 | 最終更新日 | 2020-07-29 | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | 主引用文献 | Immunization expands B cells specific to HIV-1 V3 glycan in mice and macaques. Nature, 570, 2019
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6ORQ
| Modified BG505 SOSIP-based immunogen RC1 in complex with the elicited V3-glycan patch antibody Ab275MUR | 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, Ab275MUR antibody Fab heavy chain, ... | 著者 | Abernathy, M.E, Gristick, H.B, Bjorkman, P.J. | 登録日 | 2019-04-30 | 公開日 | 2019-06-12 | 最終更新日 | 2020-07-29 | 実験手法 | ELECTRON MICROSCOPY (4.4 Å) | 主引用文献 | Immunization expands B cells specific to HIV-1 V3 glycan in mice and macaques. Nature, 570, 2019
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6ORP
| Modified BG505 SOSIP-based immunogen RC1 in complex with the elicited V3-glycan patch antibody Ab897NHP | 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, Ab897NHP antibody Fab heavy chain, ... | 著者 | Abernathy, M.E, Gristick, H.B, Bjorkman, P.J. | 登録日 | 2019-04-30 | 公開日 | 2019-06-12 | 最終更新日 | 2020-07-29 | 実験手法 | ELECTRON MICROSCOPY (4.4 Å) | 主引用文献 | Immunization expands B cells specific to HIV-1 V3 glycan in mice and macaques. Nature, 570, 2019
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7SLY
| Vanin-1 complexed with Compound 27 | 分子名称: | (8-oxa-2-azaspiro[4.5]decan-2-yl)(2-{[(1S)-1-(pyrazin-2-yl)ethyl]amino}pyrimidin-5-yl)methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, Pantetheinase, ... | 著者 | Vajdos, F.F. | 登録日 | 2021-10-25 | 公開日 | 2022-01-12 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | 主引用文献 | Discovery of a Series of Pyrimidine Carboxamides as Inhibitors of Vanin-1. J.Med.Chem., 65, 2022
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7SLX
| Vanin-1 complexed with Compound 11 | 分子名称: | (3R)-1-(2-{[1-(pyrimidin-5-yl)cyclopropyl]amino}pyrimidine-5-carbonyl)piperidine-3-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, Pantetheinase, ... | 著者 | Vajdos, F.F. | 登録日 | 2021-10-25 | 公開日 | 2022-01-12 | 最終更新日 | 2022-01-26 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Discovery of a Series of Pyrimidine Carboxamides as Inhibitors of Vanin-1. J.Med.Chem., 65, 2022
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7SLV
| Vanin-1 complexed with Compound 3 | 分子名称: | (8-oxa-2-azaspiro[4.5]decan-2-yl)(2-{[(pyrazin-2-yl)methyl]amino}pyrimidin-5-yl)methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, Pantetheinase, ... | 著者 | Vajdos, F.F. | 登録日 | 2021-10-25 | 公開日 | 2022-01-12 | 最終更新日 | 2022-01-26 | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | 主引用文献 | Discovery of a Series of Pyrimidine Carboxamides as Inhibitors of Vanin-1. J.Med.Chem., 65, 2022
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7NS0
| Bacilladnavirus capsid structure | 分子名称: | Capsid protein VP2 | 著者 | Munke, A, Okamoto, K. | 登録日 | 2021-03-05 | 公開日 | 2022-07-20 | 最終更新日 | 2022-09-14 | 実験手法 | ELECTRON MICROSCOPY (2.4 Å) | 主引用文献 | Primordial Capsid and Spooled ssDNA Genome Structures Unravel Ancestral Events of Eukaryotic Viruses. Mbio, 13, 2022
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6CPT
| crystal structure of yeast caPDE2 in complex with IBMX | 分子名称: | 3-ISOBUTYL-1-METHYLXANTHINE, MAGNESIUM ION, Phosphodiesterase, ... | 著者 | Ke, h, Wang, Y. | 登録日 | 2018-03-14 | 公開日 | 2019-02-20 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal Structures of Candida albicans Phosphodiesterase 2 and Implications for Its Biological Functions. Biochemistry, 57, 2018
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6CPU
| Crystal structure of yeast caPDE2 | 分子名称: | MAGNESIUM ION, Phosphodiesterase, ZINC ION | 著者 | Ke, H, Wang, y. | 登録日 | 2018-03-14 | 公開日 | 2019-02-20 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal Structures of Candida albicans Phosphodiesterase 2 and Implications for Its Biological Functions. Biochemistry, 57, 2018
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5KX9
| Selective Small Molecule Inhibition of the FMN Riboswitch | 分子名称: | (6P)-2-{(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-3-yl}-6-(thiophen-2-yl)pyrimidin-4-ol, FMN Riboswitch, MAGNESIUM ION, ... | 著者 | Fischmann, T.O. | 登録日 | 2016-07-20 | 公開日 | 2016-08-24 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Atomic resolution mechanistic studies of ribocil: A highly selective unnatural ligand mimic of the E. coli FMN riboswitch. Rna Biol., 13, 2016
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8HOG
| Crystal structure of Bcl-2 in complex with sonrotoclax | 分子名称: | Apoptosis regulator Bcl-2, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide | 著者 | Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y. | 登録日 | 2022-12-10 | 公開日 | 2024-01-17 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy. Blood, 143, 2024
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8HOH
| Crystal structure of Bcl-2 G101V in complex with sonrotoclax | 分子名称: | Apoptosis regulator Bcl-2, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide | 著者 | Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y. | 登録日 | 2022-12-10 | 公開日 | 2024-01-17 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy. Blood, 143, 2024
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8HOI
| Crystal structure of Bcl-2 D103Y in complex with sonrotoclax | 分子名称: | Apoptosis regulator Bcl-2, FORMIC ACID, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide | 著者 | Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y. | 登録日 | 2022-12-10 | 公開日 | 2024-01-17 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy. Blood, 143, 2024
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