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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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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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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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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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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7ZLY
| Crystal structure of human GPCR Niacin receptor (HCA2) expressed from Spodoptera frugiperda | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Hydroxycarboxylic acid receptor 2,Soluble cytochrome b562, OLEIC ACID | 著者 | Yang, Y, Kang, H.J, Gao, R.G, Wang, J.J, FiBerto, J.F, Wu, L.J, Tong, J.H, Han, G.W, Qu, L, Wu, Y.R, Pileski, R, Li, X.M, Zhang, X.C, Zhao, S.W, Kenakin, T, Wang, Q, Stevens, R.C, Peng, W, Roth, B.L, Rao, Z.H, Liu, Z.J. | 登録日 | 2022-04-17 | 公開日 | 2023-04-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structural insights into the human niacin receptor HCA2-G i signalling complex. Nat Commun, 14, 2023
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7ZL9
| Crystal structure of human GPCR Niacin receptor (HCA2) | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, DI(HYDROXYETHYL)ETHER, Hydroxycarboxylic acid receptor 2,Soluble cytochrome b562, ... | 著者 | Yang, Y, Kang, H.J, Gao, R.G, Wang, J.J, Han, G.W, FiBerto, J.F, Wu, L.J, Tong, J.H, Qu, L, Wu, Y.R, Pileski, R, Li, X.M, Zhang, X.C, Zhao, S.W, Kenakin, T, Wang, Q, Stevens, R.C, Peng, W, Roth, B.L, Rao, Z.H, Liu, Z.J. | 登録日 | 2022-04-14 | 公開日 | 2023-04-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structural insights into the human niacin receptor HCA2-G i signalling complex. Nat Commun, 14, 2023
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5K2D
| 1.9A angstrom A2a adenosine receptor structure with MR phasing using XFEL data | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ... | 著者 | Batyuk, A, Galli, L, Ishchenko, A, Han, G.W, Gati, C, Popov, P, Lee, M.-Y, Stauch, B, White, T.A, Barty, A, Aquila, A, Hunter, M.S, Liang, M, Boutet, S, Pu, M, Liu, Z.-J, Nelson, G, James, D, Li, C, Zhao, Y, Spence, J.C.H, Liu, W, Fromme, P, Katritch, V, Weierstall, U, Stevens, R.C, Cherezov, V, GPCR Network (GPCR) | 登録日 | 2016-05-18 | 公開日 | 2016-09-21 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Native phasing of x-ray free-electron laser data for a G protein-coupled receptor. Sci Adv, 2, 2016
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5K2C
| 1.9 angstrom A2a adenosine receptor structure with sulfur SAD phasing and phase extension using XFEL data | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a/Soluble cytochrome b562 chimera, ... | 著者 | Batyuk, A, Galli, L, Ishchenko, A, Han, G.W, Gati, C, Popov, P, Lee, M.-Y, Stauch, B, White, T.A, Barty, A, Aquila, A, Hunter, M.S, Liang, M, Boutet, S, Pu, M, Liu, Z.-J, Nelson, G, James, D, Li, C, Zhao, Y, Spence, J.C.H, Liu, W, Fromme, P, Katritch, V, Weierstall, U, Stevens, R.C, Cherezov, V, GPCR Network (GPCR) | 登録日 | 2016-05-18 | 公開日 | 2016-09-21 | 最終更新日 | 2018-11-28 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Native phasing of x-ray free-electron laser data for a G protein-coupled receptor. Sci Adv, 2, 2016
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5K2A
| 2.5 angstrom A2a adenosine receptor structure with sulfur SAD phasing using XFEL data | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a/Soluble cytochrome b562 chimera, ... | 著者 | Batyuk, A, Galli, L, Ishchenko, A, Han, G.W, Gati, C, Popov, P, Lee, M.-Y, Stauch, B, White, T.A, Barty, A, Aquila, A, Hunter, M.S, Liang, M, Boutet, S, Pu, M, Liu, Z.-J, Nelson, G, James, D, Li, C, Zhao, Y, Spence, J.C.H, Liu, W, Fromme, P, Katritch, V, Weierstall, U, Stevens, R.C, Cherezov, V, GPCR Network (GPCR) | 登録日 | 2016-05-18 | 公開日 | 2016-09-21 | 最終更新日 | 2018-11-28 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Native phasing of x-ray free-electron laser data for a G protein-coupled receptor. Sci Adv, 2, 2016
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1GGN
| Structures of glycogen phosphorylase-inhibitor complexes and the implications for structure-based drug design | 分子名称: | BETA-D-GLUCOPYRANOSE SPIROHYDANTOIN, PROTEIN (GLYCOGEN PHOSPHORYLASE), PYRIDOXAL-5'-PHOSPHATE | 著者 | Watson, K.A, Tsitsanou, K.E, Gregoriou, M, Zographos, S.E, Skamnaki, V.T, Oikonomakos, N.G, Fleet, G.W, Johnson, L.N. | 登録日 | 2000-08-29 | 公開日 | 2000-09-13 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | 主引用文献 | Kinetic and crystallographic studies of glucopyranosylidene spirothiohydantoin binding to glycogen phosphorylase B. Bioorg.Med.Chem., 10, 2002
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1XYS
| CATALYTIC CORE OF XYLANASE A E246C MUTANT | 分子名称: | CALCIUM ION, XYLANASE A | 著者 | Harris, G.W, Jenkins, J.A, Connerton, I, Pickersgill, R.W. | 登録日 | 1994-09-02 | 公開日 | 1995-07-10 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structure of the catalytic core of the family F xylanase from Pseudomonas fluorescens and identification of the xylopentaose-binding sites. Structure, 2, 1994
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8ANS
| Crystal structure of D1228V c-MET bound by compound 1. | 分子名称: | 3-[bis(fluoranyl)methyl]-~{N}-methyl-~{N}-[(1~{R})-8-methyl-5-(3-methyl-1~{H}-indazol-6-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-2-carboxamide, GLYCEROL, Hepatocyte growth factor receptor | 著者 | Collie, G.W. | 登録日 | 2022-08-05 | 公開日 | 2022-08-31 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Discovery of a selective c-MET inhibitor with a novel binding mode. Bioorg.Med.Chem.Lett., 75, 2022
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8AN8
| Crystal structure of wild-type c-MET bound by compound 7. | 分子名称: | 3-[bis(fluoranyl)methyl]-~{N}-methyl-~{N}-[(1~{R})-8-methyl-5-(3-methyl-1~{H}-indazol-6-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-2-carboxamide, Hepatocyte growth factor receptor, SULFATE ION | 著者 | Collie, G.W. | 登録日 | 2022-08-04 | 公開日 | 2022-08-31 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.394 Å) | 主引用文献 | Discovery of a selective c-MET inhibitor with a novel binding mode. Bioorg.Med.Chem.Lett., 75, 2022
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1GG8
| DESIGN OF INHIBITORS OF GLYCOGEN PHOSPHORYLASE: A STUDY OF ALPHA-AND BETA-C-GLUCOSIDES AND 1-THIO-BETA-D-GLUCOSE COMPOUNDS | 分子名称: | ALPHA-D-GLUCOPYRANOSYL-2-CARBOXYLIC ACID AMIDE, INOSINIC ACID, PROTEIN (GLYCOGEN PHOSPHORYLASE), ... | 著者 | Watson, K.A, Mitchell, E.P, Johnson, L.N, Son, J.C, Bichard, C.J, Orchard, M.G, Fleet, G.W, Oikonomakos, N.G, Leonidas, D.D, Kontou, M, Papageorgiou, A.C. | 登録日 | 2000-07-30 | 公開日 | 2000-08-23 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | Design of inhibitors of glycogen phosphorylase: a study of alpha- and beta-C-glucosides and 1-thio-beta-D-glucose compounds. Biochemistry, 33, 1994
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1ZDS
| Crystal Structure of Met150Gly AfNiR with Acetamide Bound | 分子名称: | ACETAMIDE, COPPER (II) ION, Copper-containing nitrite reductase | 著者 | Wijma, H.J, MacPherson, I.S, Alexandre, M, Diederix, R.E.M, Canters, G.W, Murphy, M.E.P, Verbeet, M.P. | 登録日 | 2005-04-14 | 公開日 | 2006-03-28 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | A rearranging ligand enables allosteric control of catalytic activity in copper-containing nitrite reductase. J.Mol.Biol., 358, 2006
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1GWZ
| CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF THE PROTEIN TYROSINE PHOSPHATASE SHP-1 | 分子名称: | SHP-1 | 著者 | Yang, J, Liang, X, Niu, T, Meng, W, Zhao, Z, Zhou, G.W. | 登録日 | 1998-08-22 | 公開日 | 1999-08-22 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystal structure of the catalytic domain of protein-tyrosine phosphatase SHP-1. J.Biol.Chem., 273, 1998
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1YOB
| C69A Flavodoxin II from Azotobacter vinelandii | 分子名称: | FLAVIN MONONUCLEOTIDE, Flavodoxin 2, SULFATE ION | 著者 | Alagaratnam, S, van Pouderoyen, G, Pijning, T, Dijkstra, B.W, Cavazzini, D, Rossi, G.L, Canters, G.W. | 登録日 | 2005-01-27 | 公開日 | 2005-10-18 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | A crystallographic study of Cys69Ala flavodoxin II from Azotobacter vinelandii: structural determinants of redox potential Protein Sci., 14, 2005
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1ZDQ
| Crystal Structure of Met150Gly AfNiR with Methylsulfanyl Methane Bound | 分子名称: | (METHYLSULFANYL)METHANE, COPPER (II) ION, Copper-containing nitrite reductase | 著者 | Wijma, H.J, MacPherson, I.S, Alexandre, M, Diederix, R.E.M, Canters, G.W, Murphy, M.E.P, Verbeet, M.P. | 登録日 | 2005-04-14 | 公開日 | 2006-03-28 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | A rearranging ligand enables allosteric control of catalytic activity in copper-containing nitrite reductase. J.Mol.Biol., 358, 2006
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2A7Y
| Solution Structure of the Conserved Hypothetical Protein Rv2302 from the Bacterium Mycobacterium tuberculosis | 分子名称: | Hypothetical protein Rv2302/MT2359 | 著者 | Buchko, G.W, Kim, C.-Y, Terwilliger, T.C, Kennedy, M.A, TB Structural Genomics Consortium (TBSGC) | 登録日 | 2005-07-06 | 公開日 | 2005-08-23 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure of the conserved hypothetical protein Rv2302 from Mycobacterium tuberculosis. J.Bacteriol., 188, 2006
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1Y2M
| Crystal structure of phenylalanine ammonia-lyase from yeast Rhododporidium toruloides | 分子名称: | Phenylalanine ammonia-lyase | 著者 | Wang, L, Gamez, A, Sarkissian, C.N, Straub, M, Patch, M.G, Han, G.W, Scriver, C.R, Stevens, R.C. | 登録日 | 2004-11-22 | 公開日 | 2005-11-01 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structure-based chemical modification strategy for enzyme replacement treatment of phenylketonuria. Mol.Genet.Metab., 86, 2005
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2B3R
| Crystal structure of the C2 domain of class II phosphatidylinositide 3-kinase C2 | 分子名称: | Phosphatidylinositol-4-phosphate 3-kinase C2 domain-containing alpha polypeptide, SULFATE ION | 著者 | Liu, L, Song, X, He, D, Komma, C, Kita, A, Verbasius, J.V, Bellamy, H, Miki, K, Czech, M.P, Zhou, G.W. | 登録日 | 2005-09-20 | 公開日 | 2005-12-13 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal structure of the C2 domain of class II phosphatidylinositide 3-kinase C2alpha. J.Biol.Chem., 281, 2006
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1JB8
| The Crystal Structure of an RNA/DNA Hybrid Reveals Novel Intermolecular Intercalation | 分子名称: | 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, Kopka, M.L, Langs, D, Dickerson, R.E. | 登録日 | 2001-06-02 | 公開日 | 2003-07-01 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | 主引用文献 | Crystal structure of an RNADNA hybrid reveals intermolecular
intercalation: Dimer formation by base-pair swapping Proc.Natl.Acad.Sci.USA, 100, 2003
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1KQQ
| Solution Structure of the Dead ringer ARID-DNA Complex | 分子名称: | 5'-D(*CP*CP*AP*CP*AP*TP*CP*AP*AP*TP*AP*CP*AP*GP*G)-3', 5'-D(*CP*CP*TP*GP*TP*AP*TP*TP*GP*AP*TP*GP*TP*GP*G)-3', DEAD RINGER PROTEIN | 著者 | Iwahara, J, Iwahara, M, Daughdrill, G.W, Ford, J, Clubb, R.T. | 登録日 | 2002-01-07 | 公開日 | 2002-03-06 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | The structure of the Dead ringer-DNA complex reveals how AT-rich interaction domains (ARIDs) recognize DNA. EMBO J., 21, 2002
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5DHG
| The crystal structure of nociceptin/orphanin FQ peptide receptor (NOP) in complex with C-35 (PSI Community Target) | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-benzyl-N-{3-[4-(2,6-dichlorophenyl)piperidin-1-yl]propyl}-D-prolinamide, OLEIC ACID, ... | 著者 | Miller, R.L, Thompson, A.A, Trapella, C, Guerrini, R, Malfacini, D, Patel, N, Han, G.W, Cherezov, V, Calo, G, Katritch, V, Stevens, R.C, GPCR Network (GPCR) | 登録日 | 2015-08-30 | 公開日 | 2015-10-21 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | The Importance of Ligand-Receptor Conformational Pairs in Stabilization: Spotlight on the N/OFQ G Protein-Coupled Receptor. Structure, 23, 2015
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