5T1A
 
 | | Structure of CC Chemokine Receptor 2 with Orthosteric and Allosteric Antagonists | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2~{R})-1-(4-chloranyl-2-fluoranyl-phenyl)-2-cyclohexyl-3-ethanoyl-4-oxidanyl-2~{H}-pyrrol-5-one, (3S)-1-{(1S,2R,4R)-4-[methyl(propan-2-yl)amino]-2-propylcyclohexyl}-3-{[6-(trifluoromethyl)quinazolin-4-yl]amino}pyrrolidin-2-one, ... | | 著者 | Zheng, Y, Qin, L, Ortiz Zacarias, N.V, de Vries, H, Han, G.W, Gustavsson, M, Dabros, M, Zhao, C, Cherney, R.J, Carter, P, Stamos, D, Abagyan, R, Cherezov, V, Stevens, R.C, IJzerman, A.P, Heitman, L.H, Tebben, A, Kufareva, I, Handel, T.M. | | 登録日 | 2016-08-18 | | 公開日 | 2016-12-14 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.806 Å) | | 主引用文献 | Structure of CC chemokine receptor 2 with orthosteric and allosteric antagonists.
Nature, 540, 2016
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5VHT
 | | E. coli chorismate mutase with orthogonal interface containing p-benzoyl phenylalanine | | 分子名称: | Chorismate Mutase | | 著者 | Koh, M, Nasertorabi, F, Han, G.W, Stevens, R.C, Shultz, P.G. | | 登録日 | 2017-04-13 | | 公開日 | 2017-05-10 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Generation of an Orthogonal Protein-Protein Interface with a Noncanonical Amino Acid.
J. Am. Chem. Soc., 139, 2017
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5VEW
 | | Structure of the human GLP-1 receptor complex with PF-06372222 | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Glucagon-like peptide 1 receptor,Endolysin chimera, N-{4-[(R)-(3,3-dimethylcyclobutyl)({6-[4-(trifluoromethyl)-1H-imidazol-1-yl]pyridin-3-yl}amino)methyl]benzene-1-carbonyl}-beta-alanine, ... | | 著者 | Song, G, Yang, D, Wang, Y, Graaf, C.D, Zhou, Q, Jiang, S, Liu, K, Cai, X, Dai, A, Lin, G, Liu, D, Wu, F, Wu, Y, Zhao, S, Ye, L, Han, G.W, Lau, J, Wu, B, Hanson, M.A, Liu, Z.-J, Wang, M.-W, Stevens, R.C. | | 登録日 | 2017-04-05 | | 公開日 | 2017-05-24 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Human GLP-1 receptor transmembrane domain structure in complex with allosteric modulators.
Nature, 546, 2017
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5VEX
 | | Structure of the human GLP-1 receptor complex with NNC0640 | | 分子名称: | 4-{[(4-cyclohexylphenyl){[3-(methylsulfonyl)phenyl]carbamoyl}amino]methyl}-N-(1H-tetrazol-5-yl)benzamide, Glucagon-like peptide 1 receptor, Endolysin chimera | | 著者 | Song, G, Yang, D, Wang, Y, Graaf, C.D, Zhou, Q, Jiang, S, Liu, K, Cai, X, Dai, A, Lin, G, Liu, D, Wu, F, Wu, Y, Zhao, S, Ye, L, Han, G.W, Lau, J, Wu, B, Hanson, M.A, Liu, Z.-J, Wang, M.-W, Stevens, R.C. | | 登録日 | 2017-04-05 | | 公開日 | 2017-05-17 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Human GLP-1 receptor transmembrane domain structure in complex with allosteric modulators.
Nature, 546, 2017
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7N8O
 | | High-resolution structure of photosystem II from the mesophilic cyanobacterium, Synechocystis sp. PCC 6803 | | 分子名称: | (3R)-beta,beta-caroten-3-ol, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | | 著者 | Gisriel, C.J, Brudvig, G.W. | | 登録日 | 2021-06-15 | | 公開日 | 2021-12-29 | | 最終更新日 | 2022-01-05 | | 実験手法 | ELECTRON MICROSCOPY (1.93 Å) | | 主引用文献 | High-resolution cryo-electron microscopy structure of photosystem II from the mesophilic cyanobacterium, Synechocystis sp. PCC 6803.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7OKF
 | | Crystal structure of human BCL6 BTB domain in complex with compound 8c | | 分子名称: | 1,2-ETHANEDIOL, 2-chloranyl-4-[[4-(4-methylpiperazin-1-yl)-2-oxidanylidene-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, ... | | 著者 | Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M. | | 登録日 | 2021-05-17 | | 公開日 | 2021-12-08 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Into Deep Water: Optimizing BCL6 Inhibitors by Growing into a Solvated Pocket.
J.Med.Chem., 64, 2021
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7OKJ
 | | Crystal structure of human BCL6 BTB domain in complex with compound 12c and its enantiomer 12b | | 分子名称: | (2R)-2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1H-quinolin-4-yl]amino]-N-methyl-propanamide, (2S)-2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1H-quinolin-4-yl]amino]-N-methyl-propanamide, 1,2-ETHANEDIOL, ... | | 著者 | Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M. | | 登録日 | 2021-05-17 | | 公開日 | 2021-12-08 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | Into Deep Water: Optimizing BCL6 Inhibitors by Growing into a Solvated Pocket.
J.Med.Chem., 64, 2021
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7OKE
 | | Crystal structure of human BCL6 BTB domain in complex with compound 2 | | 分子名称: | 1,2-ETHANEDIOL, 2-chloranyl-4-[(1-methyl-2-oxidanylidene-quinolin-6-yl)amino]pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, ... | | 著者 | Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M. | | 登録日 | 2021-05-17 | | 公開日 | 2021-12-08 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Into Deep Water: Optimizing BCL6 Inhibitors by Growing into a Solvated Pocket.
J.Med.Chem., 64, 2021
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7OKI
 | | Crystal structure of human BCL6 BTB domain in complex with compound 12b | | 分子名称: | (2R)-2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1H-quinolin-4-yl]amino]-N-methyl-propanamide, 1,2-ETHANEDIOL, ALA-TRP-VAL-ILE-PRO-ALA, ... | | 著者 | Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M. | | 登録日 | 2021-05-17 | | 公開日 | 2021-12-08 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | | 主引用文献 | Into Deep Water: Optimizing BCL6 Inhibitors by Growing into a Solvated Pocket.
J.Med.Chem., 64, 2021
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7OKH
 | | Crystal structure of human BCL6 BTB domain in complex with compound 8f | | 分子名称: | 1,2-ETHANEDIOL, 2-chloranyl-4-[[4-(ethylamino)-2-oxidanylidene-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, ... | | 著者 | Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M. | | 登録日 | 2021-05-17 | | 公開日 | 2021-12-08 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | | 主引用文献 | Into Deep Water: Optimizing BCL6 Inhibitors by Growing into a Solvated Pocket.
J.Med.Chem., 64, 2021
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7OKG
 | | Crystal structure of human BCL6 BTB domain in complex with compound 8e | | 分子名称: | 1,2-ETHANEDIOL, 2-chloranyl-4-[[4-(1-methylpyrazol-4-yl)-2-oxidanylidene-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, ... | | 著者 | Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M. | | 登録日 | 2021-05-17 | | 公開日 | 2021-12-08 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | | 主引用文献 | Into Deep Water: Optimizing BCL6 Inhibitors by Growing into a Solvated Pocket.
J.Med.Chem., 64, 2021
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7OKK
 | | Crystal structure of human BCL6 BTB domain in complex with compound 12e | | 分子名称: | 1,2-ETHANEDIOL, 2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1H-quinolin-4-yl]amino]-N-methyl-ethanamide, ALA-TRP-VAL-ILE-PRO-ALA, ... | | 著者 | Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M. | | 登録日 | 2021-05-17 | | 公開日 | 2021-12-08 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Into Deep Water: Optimizing BCL6 Inhibitors by Growing into a Solvated Pocket.
J.Med.Chem., 64, 2021
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6GN2
 | | Racemic crystal structure of A-DNA duplex formed from d(CCCGGG) in space group R3 | | 分子名称: | DNA (5'-D(*CP*CP*CP*GP*GP*G)-3'), trimethylamine oxide | | 著者 | Mandal, P.K, Collie, G.W, Kauffmann, B, Huc, I. | | 登録日 | 2018-05-29 | | 公開日 | 2019-09-11 | | 最終更新日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | | 主引用文献 | Racemic crystal structures of A-DNA duplexes.
Acta Crystallogr D Struct Biol, 78, 2022
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6GN3
 | | Racemic crystal structure of A-DNA duplex formed from d(CCCGGG) in space group P21/n | | 分子名称: | CHLORIDE ION, COBALT (II) ION, DNA (5'-D(*CP*CP*CP*GP*GP*G)-3'), ... | | 著者 | Mandal, P.K, Collie, G.W, Kauffmann, B, Huc, I. | | 登録日 | 2018-05-29 | | 公開日 | 2019-09-11 | | 最終更新日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Racemic crystal structures of A-DNA duplexes.
Acta Crystallogr D Struct Biol, 78, 2022
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2IDF
 | | P. aeruginosa azurin N42C/M64E double mutant, BMME-linked dimer | | 分子名称: | 1-[PYRROL-1-YL-2,5-DIONE-METHOXYMETHYL]-PYRROLE-2,5-DIONE, Azurin, COPPER (II) ION, ... | | 著者 | Einsle, O, de Jongh, T.E, Hoffmann, M, Cavazzini, D, Rossi, G.L, Ubbink, M, Canters, G.W. | | 登録日 | 2006-09-15 | | 公開日 | 2008-03-18 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Electron transfer in a crosslinked protein dimer mediated by a hydrogen-bonded network across the dimer interface
To be Published
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1G4Q
 | | RNA/DNA HYBRID DECAMER OF CAAAGAAAAG/CTTTTCTTTG | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5'-D(*CP*TP*TP*TP*TP*CP*TP*TP*TP*G)-3', 5'-R(*CP*AP*AP*AP*GP*AP*AP*AP*AP*G)-3', ... | | 著者 | Han, G.W. | | 登録日 | 2000-10-27 | | 公開日 | 2003-07-08 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | | 主引用文献 | Direct-methods determination of an RNA/DNA hybrid decamer at 1.15 A resolution.
Acta Crystallogr.,Sect.D, 57, 2001
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9F9A
 | | Crystal structure of MUS81-EME1 bound by compound 12. | | 分子名称: | 2-naphthalen-2-yl-5-oxidanyl-6-oxidanylidene-1H-pyrimidine-4-carboxylic acid, Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81, ... | | 著者 | Collie, G.W. | | 登録日 | 2024-05-07 | | 公開日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.911 Å) | | 主引用文献 | Fragment-Based Discovery of Novel MUS81 Inhibitors
Acs Med.Chem.Lett., 2024
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9CE9
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9F99
 | | Crystal structure of MUS81-EME1 bound by compound 10. | | 分子名称: | 2-(4-chlorophenyl)-5-oxidanyl-6-oxidanylidene-1H-pyrimidine-4-carboxylic acid, Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81, ... | | 著者 | Collie, G.W. | | 登録日 | 2024-05-07 | | 公開日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.803 Å) | | 主引用文献 | Fragment-Based Discovery of Novel MUS81 Inhibitors
Acs Med.Chem.Lett., 2024
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8TOW
 | | Structure of a mutated photosystem II complex reveals perturbation of the oxygen-evolving complex | | 分子名称: | (3R)-beta,beta-caroten-3-ol, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | | 著者 | Flesher, D.A, Liu, J, Wang, J, Gisriel, C.J, Yang, K.R, Batista, V.S, Debus, R.J, Brudvig, G.W. | | 登録日 | 2023-08-04 | | 公開日 | 2024-06-19 | | 最終更新日 | 2024-07-03 | | 実験手法 | ELECTRON MICROSCOPY (2.14 Å) | | 主引用文献 | Mutation-induced shift of the photosystem II active site reveals insight into conserved water channels.
J.Biol.Chem., 2024
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9F98
 | | Crystal structure of MUS81-EME1, apo form. | | 分子名称: | Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81 | | 著者 | Collie, G.W. | | 登録日 | 2024-05-07 | | 公開日 | 2024-07-03 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Fragment-Based Discovery of Novel MUS81 Inhibitors
Acs Med.Chem.Lett., 2024
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9EXW
 | | Crystal structure of the PWWP1 domain of NSD2 bound by compound 17. | | 分子名称: | 1,2-ETHANEDIOL, 7-[3-methyl-5-[2-methyl-5-[(pyridin-3-ylamino)methyl]phenyl]imidazol-4-yl]-4~{H}-1,4-benzoxazin-3-one, Histone-lysine N-methyltransferase NSD2 | | 著者 | Collie, G.W. | | 登録日 | 2024-04-09 | | 公開日 | 2024-05-29 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | | 主引用文献 | Identification of Novel Potent NSD2-PWWP1 Ligands Using Structure-Based Design and Computational Approaches.
J.Med.Chem., 67, 2024
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9F9L
 | | Crystal structure of MUS81-EME1 bound by compound 16. | | 分子名称: | 2-[2-[4-(cyanomethyl)phenyl]phenyl]-5-oxidanyl-6-oxidanylidene-1H-pyrimidine-4-carboxylic acid, Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81, ... | | 著者 | Collie, G.W. | | 登録日 | 2024-05-07 | | 公開日 | 2024-07-03 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Fragment-Based Discovery of Novel MUS81 Inhibitors
Acs Med.Chem.Lett., 2024
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9F9K
 | | Crystal structure of MUS81-EME1 bound by compound 15. | | 分子名称: | 5-oxidanyl-6-oxidanylidene-2-(4-phenylphenyl)-1H-pyrimidine-4-carboxylic acid, Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81, ... | | 著者 | Collie, G.W. | | 登録日 | 2024-05-07 | | 公開日 | 2024-07-03 | | 実験手法 | X-RAY DIFFRACTION (2.728 Å) | | 主引用文献 | Fragment-Based Discovery of Novel MUS81 Inhibitors
Acs Med.Chem.Lett., 2024
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8YY8
 | | Fzd7 -Gs complex | | 分子名称: | Frizzled-7, 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, ... | | 著者 | Chen, B, Xu, L, Han, G.W, Xu, F. | | 登録日 | 2024-04-03 | | 公開日 | 2024-04-24 | | 実験手法 | ELECTRON MICROSCOPY (3.22 Å) | | 主引用文献 | Cryo-EM structure of constitutively active human Frizzled 7 in complex with heterotrimeric G s .
Cell Res., 31, 2021
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