7RW5
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![BU of 7rw5 by Molmil](/molmil-images/mine/7rw5) | Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor Compound 1 | 分子名称: | (3'R)-N-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]-4-methyl-5H,7H-spiro[pyrano[4,3-d]pyrimidine-8,3'-pyrrolidin]-2-amine, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2 | 著者 | Jin, L, Padyana, A.K. | 登録日 | 2021-08-19 | 公開日 | 2022-03-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads. J.Med.Chem., 65, 2022
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5IZ8
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![BU of 5iz8 by Molmil](/molmil-images/mine/5iz8) | Protein-protein interaction | 分子名称: | ACE-ALA-GLY-GLU-ALA-LEU-ALA-ASP-NH2, Adenomatous polyposis coli protein, TRIETHYLENE GLYCOL | 著者 | Zhao, Y, Jiang, H, Yang, X, Jiang, F, Song, K, Zhang, J. | 登録日 | 2016-03-25 | 公開日 | 2017-07-05 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (3.06 Å) | 主引用文献 | Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration. Nat. Chem. Biol., 13, 2017
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5IZ6
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![BU of 5iz6 by Molmil](/molmil-images/mine/5iz6) | Protein-protein interaction | 分子名称: | Adenomatous polyposis coli protein, DI(HYDROXYETHYL)ETHER, PHQ-ALA-GLY-GLU-ALA-LEU-TYR-GLU-NH2, ... | 著者 | Zhao, Y, Jiang, H, Yang, X, Jiang, F, Song, K, Zhang, J. | 登録日 | 2016-03-25 | 公開日 | 2017-07-05 | 最終更新日 | 2024-04-17 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration. Nat. Chem. Biol., 13, 2017
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4RZF
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![BU of 4rzf by Molmil](/molmil-images/mine/4rzf) | Crystal Structure Analysis of the NUR77 Ligand Binding Domain, S441W mutant | 分子名称: | GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | 著者 | Li, F, Tian, X, Li, A, Li, L, Liu, Y, Chen, H, Wu, Q, Lin, T. | 登録日 | 2014-12-21 | 公開日 | 2015-03-18 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Impeding the interaction between Nur77 and p38 reduces LPS-induced inflammation. Nat.Chem.Biol., 11, 2015
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6VM2
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![BU of 6vm2 by Molmil](/molmil-images/mine/6vm2) | Full length Glycine receptor reconstituted in lipid nanodisc in Gly/IVM-conformation (State-2) | 分子名称: | (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, ... | 著者 | Kumar, A, Basak, S, Chakrapani, S. | 登録日 | 2020-01-27 | 公開日 | 2020-07-29 | 最終更新日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (3.34 Å) | 主引用文献 | Mechanisms of activation and desensitization of full-length glycine receptor in lipid nanodiscs. Nat Commun, 11, 2020
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6CPT
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![BU of 6cpt by Molmil](/molmil-images/mine/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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6VEI
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![BU of 6vei by Molmil](/molmil-images/mine/6vei) | Crystal Structure of Human Cytosolic Isocitrate Dehydrogenase (IDH1) R132H Mutant in Complex with NADPH and AG-881 (Vorasidenib) Inhibitor | 分子名称: | 3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol, 6-(6-chloropyridin-2-yl)-N2,N4-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine, ACETATE ION, ... | 著者 | Padyana, A, Jin, L. | 登録日 | 2020-01-02 | 公開日 | 2020-02-05 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Vorasidenib (AG-881): A First-in-Class, Brain-Penetrant Dual Inhibitor of Mutant IDH1 and 2 for Treatment of Glioma. Acs Med.Chem.Lett., 11, 2020
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1YO6
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4YVQ
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5IZA
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![BU of 5iza by Molmil](/molmil-images/mine/5iza) | Protein-protein interaction | 分子名称: | ACE-GLY-GLY-GLU-ALA-LEU-ALA-TRP-NH2, Adenomatous polyposis coli protein | 著者 | Zhao, Y, Jiang, H, Yang, X, Jiang, F, Song, K, Zhang, J. | 登録日 | 2016-03-25 | 公開日 | 2017-07-05 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration. Nat. Chem. Biol., 13, 2017
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6CPU
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![BU of 6cpu by Molmil](/molmil-images/mine/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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2HV6
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2HV7
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![BU of 2hv7 by Molmil](/molmil-images/mine/2hv7) | |
4DI2
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![BU of 4di2 by Molmil](/molmil-images/mine/4di2) | Crystal structure of BACE1 in complex with hydroxyethylamine inhibitor 37 | 分子名称: | (2R)-N-{(2S,3R)-4-{[(4'S)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl]amino}-3-hydroxy-1-[3-(1,3-thiazol-2-yl)phenyl]butan-2-yl}-2-methoxypropanamide, Beta-secretase 1, GLYCEROL | 著者 | Whittington, D.A, Long, A.M. | 登録日 | 2012-01-30 | 公開日 | 2012-10-10 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Design and synthesis of potent, orally efficacious hydroxyethylamine derived beta-site amyloid precursor protein cleaving enzyme (BACE1) inhibitors. J.Med.Chem., 55, 2012
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6WN2
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7W66
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![BU of 7w66 by Molmil](/molmil-images/mine/7w66) | Crystal structure of a PSH1 mutant in complex with ligand | 分子名称: | PSH1, bis(2-hydroxyethyl) benzene-1,4-dicarboxylate | 著者 | Gao, J, Lara, P, Li, Z.S, Han, X, Wei, R, Liu, W.D. | 登録日 | 2021-12-01 | 公開日 | 2022-09-14 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Multiple Substrate Binding Mode-Guided Engineering of a Thermophilic PET Hydrolase. Acs Catalysis, 12, 2022
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7W6C
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![BU of 7w6c by Molmil](/molmil-images/mine/7w6c) | Crystal structure of a PSH1 in complex with ligand J1K | 分子名称: | 4-(2-hydroxyethylcarbamoyl)benzoic acid, PSH1 | 著者 | Gao, J, Lara, P, Li, Z.S, Han, X, Wei, R, Liu, W.D. | 登録日 | 2021-12-01 | 公開日 | 2022-09-14 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Multiple Substrate Binding Mode-Guided Engineering of a Thermophilic PET Hydrolase. Acs Catalysis, 12, 2022
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7W69
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![BU of 7w69 by Molmil](/molmil-images/mine/7w69) | Crystal structure of a PSH1 mutant in complex with EDO | 分子名称: | 1,2-ETHANEDIOL, PSH1 | 著者 | Gao, J, Lara, P, Li, Z.S, Han, X, Wei, R, Liu, W.D. | 登録日 | 2021-12-01 | 公開日 | 2022-09-14 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | 主引用文献 | Multiple Substrate Binding Mode-Guided Engineering of a Thermophilic PET Hydrolase. Acs Catalysis, 12, 2022
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7W6O
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![BU of 7w6o by Molmil](/molmil-images/mine/7w6o) | Crystal structure of a PSH1 in complex with J1K | 分子名称: | 4-(2-hydroxyethylcarbamoyl)benzoic acid, PSH1 | 著者 | Gao, J, Lara, P, Li, Z.S, Han, X, Wei, R, Liu, W.D. | 登録日 | 2021-12-02 | 公開日 | 2022-09-14 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Multiple Substrate Binding Mode-Guided Engineering of a Thermophilic PET Hydrolase. Acs Catalysis, 12, 2022
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7W6Q
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![BU of 7w6q by Molmil](/molmil-images/mine/7w6q) | Crystal structure of a PSH1 in complex with ligand J1K | 分子名称: | 4-(2-hydroxyethylcarbamoyl)benzoic acid, PSH1 | 著者 | Gao, J, Lara, P, Li, Z.S, Han, X, Wei, R, Liu, W.D. | 登録日 | 2021-12-02 | 公開日 | 2022-09-14 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Multiple Substrate Binding Mode-Guided Engineering of a Thermophilic PET Hydrolase. Acs Catalysis, 12, 2022
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5GPL
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![BU of 5gpl by Molmil](/molmil-images/mine/5gpl) | Crystal structure of Ccp1 | 分子名称: | Putative nucleosome assembly protein C36B7.08c | 著者 | Yin, F, Gao, F, Chen, Y. | 登録日 | 2016-08-03 | 公開日 | 2016-11-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Ccp1 Homodimer Mediates Chromatin Integrity by Antagonizing CENP-A Loading Mol.Cell, 64, 2016
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4RZG
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![BU of 4rzg by Molmil](/molmil-images/mine/4rzg) | Crystal Structure Analysis of the DNPA-bounded NUR77 Ligand binding Domain | 分子名称: | GLYCEROL, Nuclear receptor subfamily 4 group A member 1, pentyl (3,5-dihydroxy-2-nonanoylphenyl)acetate | 著者 | Li, F, Tian, X, Li, A, Li, L, Liu, Y, Chen, H, Wu, Q, Lin, T. | 登録日 | 2014-12-21 | 公開日 | 2015-03-18 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Impeding the interaction between Nur77 and p38 reduces LPS-induced inflammation. Nat.Chem.Biol., 11, 2015
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4JIH
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![BU of 4jih by Molmil](/molmil-images/mine/4jih) | Crystal Structure Of AKR1B10 Complexed With NADP+ And Epalrestat | 分子名称: | Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid | 著者 | Zhang, L, Zheng, X, Zhang, H, Zhao, Y, Chen, K, Zhai, J, Hu, X, Structural Genomics Consortium (SGC) | 登録日 | 2013-03-06 | 公開日 | 2013-10-23 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111). Febs Lett., 587, 2013
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4JIR
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![BU of 4jir by Molmil](/molmil-images/mine/4jir) | Crystal Structure Of Aldose Reductase (AKR1B1) Complexed With NADP+ And Epalrestat | 分子名称: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ... | 著者 | Zhang, L, Zheng, X, Zhang, H, Zhao, Y, Chen, K, Zhai, J, Hu, X. | 登録日 | 2013-03-06 | 公開日 | 2013-10-23 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111). Febs Lett., 587, 2013
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6KZ5
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![BU of 6kz5 by Molmil](/molmil-images/mine/6kz5) | Crystal Structure Analysis of the Csn-B-bounded NUR77 Ligand binding Domain | 分子名称: | Nuclear receptor subfamily 4 group A member 1, ethyl 2-[2-octanoyl-3,5-bis(oxidanyl)phenyl]ethanoate | 著者 | Hong, W, Chen, H, Wu, Q, Lin, T. | 登録日 | 2019-09-23 | 公開日 | 2020-10-14 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (4.45 Å) | 主引用文献 | Blocking PPAR gamma interaction facilitates Nur77 interdiction of fatty acid uptake and suppresses breast cancer progression. Proc.Natl.Acad.Sci.USA, 117, 2020
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