6B5Q
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![BU of 6b5q by Molmil](/molmil-images/mine/6b5q) | DCN1 bound to 38 | 分子名称: | DCN1-like protein 1, Peptidomimetic Inhibitors DI-591, TRIETHYLENE GLYCOL | 著者 | Stuckey, J. | 登録日 | 2017-09-29 | 公開日 | 2018-02-28 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | 主引用文献 | High-Affinity Peptidomimetic Inhibitors of the DCN1-UBC12 Protein-Protein Interaction. J. Med. Chem., 61, 2018
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7M4T
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![BU of 7m4t by Molmil](/molmil-images/mine/7m4t) | Menin bound to M-1121 | 分子名称: | Menin, methyl {(1S,2R)-2-[(1S)-2-(azetidin-1-yl)-1-(3-fluorophenyl)-1-{1-[(3-methoxy-1-{4-[(1S,4S)-5-propanoyl-2,5-diazabicyclo[2.2.1]heptane-2-sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}ethyl]cyclopentyl}carbamate, praseodymium triacetate | 著者 | Stuckey, J. | 登録日 | 2021-03-22 | 公開日 | 2021-08-11 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | 主引用文献 | Discovery of M-1121 as an Orally Active Covalent Inhibitor of Menin-MLL Interaction Capable of Achieving Complete and Long-Lasting Tumor Regression. J.Med.Chem., 64, 2021
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5UFI
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![BU of 5ufi by Molmil](/molmil-images/mine/5ufi) | DCN1 bound to DI-591 | 分子名称: | DCN1-like protein 1, N-[(1S)-1-cyclohexyl-2-{[3-(morpholin-4-yl)propanoyl]amino}ethyl]-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide | 著者 | Stuckey, J. | 登録日 | 2017-01-04 | 公開日 | 2017-11-01 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | 主引用文献 | A potent small-molecule inhibitor of the DCN1-UBC12 interaction that selectively blocks cullin 3 neddylation. Nat Commun, 8, 2017
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4MGJ
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![BU of 4mgj by Molmil](/molmil-images/mine/4mgj) | Crystal structure of cytochrome P450 2B4 F429H in complex with 4-CPI | 分子名称: | 4-(4-CHLOROPHENYL)IMIDAZOLE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Yang, Y, Zhang, H, Usharani, D, Bu, W, Im, S, Tarasev, M, Rwere, F, Meagher, J, Sun, C, Stuckey, J, Shaik, S, Waskell, L. | 登録日 | 2013-08-28 | 公開日 | 2014-08-13 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | 主引用文献 | Structural and Functional Characterization of a Cytochrome P450 2B4 F429H Mutant with an Axial Thiolate-Histidine Hydrogen Bond. Biochemistry, 53, 2014
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5JFE
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![BU of 5jfe by Molmil](/molmil-images/mine/5jfe) | |
2H0H
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![BU of 2h0h by Molmil](/molmil-images/mine/2h0h) | Crystal Structure of DsbG K113E mutant | 分子名称: | SULFATE ION, Thiol:disulfide interchange protein dsbG | 著者 | Hiniker, A, Heras, B, Martin, J.L, Stuckey, J, Bardwell, J.C.A. | 登録日 | 2006-05-15 | 公開日 | 2007-04-24 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Short-circuiting divergent evolution: laboratory evolution of one disulfide isomerase to resemble another To be Published
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2H0G
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![BU of 2h0g by Molmil](/molmil-images/mine/2h0g) | Crystal Structure of DsbG T200M mutant | 分子名称: | SULFATE ION, Thiol:disulfide interchange protein dsbG | 著者 | Hiniker, A, Heras, B, Martin, J.L, Stuckey, J, Bardwell, J.C.A. | 登録日 | 2006-05-15 | 公開日 | 2007-04-24 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Short-circuiting divergent evolution: laboratory evolution of one disulfide isomerase to resemble another To be Published
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2H0I
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![BU of 2h0i by Molmil](/molmil-images/mine/2h0i) | Crystal Structure of DsbG V216M mutant | 分子名称: | SULFATE ION, Thiol:disulfide interchange protein dsbG | 著者 | Hiniker, A, Heras, B, Martin, J.L, Stuckey, J, Bardwell, J.C.A. | 登録日 | 2006-05-15 | 公開日 | 2007-04-24 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Short-circuiting divergent evolution: laboratory evolution of one disulfide isomerase to resemble another To be Published
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3JWD
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![BU of 3jwd by Molmil](/molmil-images/mine/3jwd) | Structure of HIV-1 gp120 with gp41-Interactive Region: Layered Architecture and Basis of Conformational Mobility | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FAB 48D HEAVY CHAIN, FAB 48D LIGHT CHAIN, ... | 著者 | Pancera, M, Majeed, S, Ban, Y.A, Chen, L, Huang, C.C, Kong, L, Kwon, Y.D, Stuckey, J, Zhou, T, Robinson, J.E, Schief, W.R, Sodroski, J, Wyatt, R, Kwong, P.D. | 登録日 | 2009-09-18 | 公開日 | 2009-12-29 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | 主引用文献 | Structure of HIV-1 gp120 with gp41-interactive region reveals layered envelope architecture and basis of conformational mobility. Proc.Natl.Acad.Sci.USA, 107, 2010
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6CSD
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![BU of 6csd by Molmil](/molmil-images/mine/6csd) | V308E mutant of cytochrome P450 2D6 complexed with prinomastat | 分子名称: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Yang, Y.T, Fujita, K, Wang, P.F, Im, S.C, Pearl, N.M, Meagher, J, Stuckey, J, Waskell, L. | 登録日 | 2018-03-20 | 公開日 | 2019-03-27 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.391 Å) | 主引用文献 | Characteristic conformational changes on the distal and proximal surfaces of cytochrome P450 2D6 in response to substrate binding To Be Published
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6CSB
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![BU of 6csb by Molmil](/molmil-images/mine/6csb) | V308E mutant of cytochrome P450 2D6 complexed with thioridazine | 分子名称: | 10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine, ACETATE ION, Cytochrome P450 2D6, ... | 著者 | Yang, Y.T, Fujita, K, Wang, P.F, Im, S.C, Pearl, N.M, Meagher, J, Stuckey, J, Waskell, L. | 登録日 | 2018-03-20 | 公開日 | 2019-03-27 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.394 Å) | 主引用文献 | Characteristic conformational changes on the distal and proximal surfaces of cytochrome P450 2D6 in response to substrate binding To Be Published
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4YJV
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![BU of 4yjv by Molmil](/molmil-images/mine/4yjv) | |
8SX4
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![BU of 8sx4 by Molmil](/molmil-images/mine/8sx4) | Crystal Structure of eIF4e in complex with Compound 7n | 分子名称: | 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, Eukaryotic translation initiation factor 4E, [(~{Z})-4-[2-azanyl-7-[(5-chloranyl-1~{H}-indol-2-yl)methyl]-6-oxidanylidene-1~{H}-purin-9-yl]but-2-enyl]phosphonic acid | 著者 | Meagher, J.L, Stuckey, J.A. | 登録日 | 2023-05-19 | 公開日 | 2023-06-21 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.986 Å) | 主引用文献 | Design of Cell-Permeable Inhibitors of Eukaryotic Translation Initiation Factor 4E (eIF4E) for Inhibiting Aberrant Cap-Dependent Translation in Cancer. J.Med.Chem., 66, 2023
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6W7F
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![BU of 6w7f by Molmil](/molmil-images/mine/6w7f) | Structure of EED bound to inhibitor 5285 | 分子名称: | 8-(6-cyclopropylpyridin-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-(methylsulfonyl)imidazo[1,5-c]pyrimidin-5-amine, GLYCEROL, Polycomb protein EED | 著者 | Petrunak, E.M, Stuckey, J.A. | 登録日 | 2020-03-19 | 公開日 | 2020-07-08 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | EEDi-5285: An Exceptionally Potent, Efficacious, and Orally Active Small-Molecule Inhibitor of Embryonic Ectoderm Development. J.Med.Chem., 63, 2020
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6W7G
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![BU of 6w7g by Molmil](/molmil-images/mine/6w7g) | Structure of EED bound to inhibitor 1056 | 分子名称: | 8-(2,6-dimethylpyridin-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-(methylsulfonyl)imidazo[1,5-c]pyrimidin-5-amine, FORMIC ACID, Polycomb protein EED, ... | 著者 | Petrunak, E.M, Stuckey, J.A. | 登録日 | 2020-03-19 | 公開日 | 2020-07-08 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | EEDi-5285: An Exceptionally Potent, Efficacious, and Orally Active Small-Molecule Inhibitor of Embryonic Ectoderm Development. J.Med.Chem., 63, 2020
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7MSD
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![BU of 7msd by Molmil](/molmil-images/mine/7msd) | Structure of EED bound to EEDi-6068 | 分子名称: | (9aP,12aR)-4-(2,2-difluoropropyl)-12-{[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]amino}-7-(trifluoromethyl)-4,5-dihydro-3H-2,4,8,11,12a-pentaazabenzo[4,5]cycloocta[1,2,3-cd]inden-3-one, FORMIC ACID, Polycomb protein EED | 著者 | Petrunak, E, Stuckey, J. | 登録日 | 2021-05-11 | 公開日 | 2021-10-20 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery of EEDi-5273 as an Exceptionally Potent and Orally Efficacious EED Inhibitor Capable of Achieving Complete and Persistent Tumor Regression. J.Med.Chem., 64, 2021
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7MSB
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![BU of 7msb by Molmil](/molmil-images/mine/7msb) | Structure of EED bound to EEDi-4259 | 分子名称: | (9aM,12aS)-12-{[(5-fluoro-1-benzofuran-4-yl)methyl]amino}-7-(trifluoromethyl)-4,5-dihydro-3H-2,4,11,12a-tetraazabenzo[4,5]cycloocta[1,2,3-cd]inden-3-one, Polycomb protein EED | 著者 | Petrunak, E, Stuckey, J. | 登録日 | 2021-05-11 | 公開日 | 2021-10-20 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery of EEDi-5273 as an Exceptionally Potent and Orally Efficacious EED Inhibitor Capable of Achieving Complete and Persistent Tumor Regression. J.Med.Chem., 64, 2021
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4TVP
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![BU of 4tvp by Molmil](/molmil-images/mine/4tvp) | Crystal Structure of the HIV-1 BG505 SOSIP.664 Env Trimer Ectodomain, Comprising Atomic-Level Definition of Pre-Fusion gp120 and gp41, in Complex with Human Antibodies PGT122 and 35O22 | 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, 35O22 Heavy chain, ... | 著者 | Pancera, M, Zhou, T, Kwong, P.D. | 登録日 | 2014-06-27 | 公開日 | 2014-10-08 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Structure and immune recognition of trimeric pre-fusion HIV-1 Env. Nature, 514, 2014
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6XM0
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![BU of 6xm0 by Molmil](/molmil-images/mine/6xm0) | Consensus structure of SARS-CoV-2 spike at pH 5.5 | 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, Spike glycoprotein | 著者 | Zhou, T, Tsybovsky, Y, Olia, A, Kwong, P.D. | 登録日 | 2020-06-29 | 公開日 | 2020-08-12 | 最終更新日 | 2021-12-15 | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | 主引用文献 | Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains. Cell Host Microbe, 28, 2020
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6XLU
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![BU of 6xlu by Molmil](/molmil-images/mine/6xlu) | Structure of SARS-CoV-2 spike at pH 4.0 | 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, Spike glycoprotein | 著者 | Zhou, T, Tsybovsky, Y, Olia, A, Kwong, P.D. | 登録日 | 2020-06-29 | 公開日 | 2020-08-12 | 最終更新日 | 2021-12-15 | 実験手法 | ELECTRON MICROSCOPY (2.4 Å) | 主引用文献 | Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains. Cell Host Microbe, 28, 2020
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6XM3
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![BU of 6xm3 by Molmil](/molmil-images/mine/6xm3) | Structure of SARS-CoV-2 spike at pH 5.5, single RBD up, conformation 1 | 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, Spike glycoprotein | 著者 | Zhou, T, Tsybovsky, Y, Olia, A, Kwong, P.D. | 登録日 | 2020-06-29 | 公開日 | 2020-08-12 | 最終更新日 | 2021-12-15 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains. Cell Host Microbe, 28, 2020
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6XM5
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![BU of 6xm5 by Molmil](/molmil-images/mine/6xm5) | Structure of SARS-CoV-2 spike at pH 5.5, all RBDs down | 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, Spike glycoprotein | 著者 | Zhou, T, Tsybovsky, Y, Olia, A, Kwong, P.D. | 登録日 | 2020-06-29 | 公開日 | 2020-07-29 | 最終更新日 | 2021-12-15 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains. Cell Host Microbe, 28, 2020
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6XM4
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![BU of 6xm4 by Molmil](/molmil-images/mine/6xm4) | Structure of SARS-CoV-2 spike at pH 5.5, single RBD up, conformation 2 | 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, Spike glycoprotein | 著者 | Zhou, T, Tsybovsky, Y, Olia, A, Kwong, P.D. | 登録日 | 2020-06-29 | 公開日 | 2020-08-12 | 最終更新日 | 2021-12-15 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains. Cell Host Microbe, 28, 2020
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6B41
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![BU of 6b41 by Molmil](/molmil-images/mine/6b41) | Menin bound to M-525 | 分子名称: | Menin, methyl {(1S,2R)-2-[(S)-cyano[1-({1-[4-({1-[4-(dimethylamino)butanoyl]azetidin-3-yl}sulfonyl)phenyl]azetidin-3-yl}methyl)piperidin-4-yl](3-fluorophenyl)methyl]cyclopentyl}carbamate, praseodymium triacetate | 著者 | Stuckey, J.A. | 登録日 | 2017-09-25 | 公開日 | 2018-01-24 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | 主引用文献 | Design of the First-in-Class, Highly Potent Irreversible Inhibitor Targeting the Menin-MLL Protein-Protein Interaction. Angew. Chem. Int. Ed. Engl., 57, 2018
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6DL2
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![BU of 6dl2 by Molmil](/molmil-images/mine/6dl2) | BRD4 bromodomain 1 in complex with HYB157 | 分子名称: | 1,2-ETHANEDIOL, 3-benzyl-2,9-dimethyl-4H,6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,4]oxazepine, Bromodomain-containing protein 4 | 著者 | Meagher, J.L, Stuckey, J.A. | 登録日 | 2018-05-31 | 公開日 | 2019-04-17 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | Discovery of QCA570 as an Exceptionally Potent and Efficacious Proteolysis Targeting Chimera (PROTAC) Degrader of the Bromodomain and Extra-Terminal (BET) Proteins Capable of Inducing Complete and Durable Tumor Regression. J. Med. Chem., 61, 2018
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