3UKI
 
 | | Crystal structure of reduced OxyR from Porphyromonas gingivalis | | 分子名称: | OxyR | | 著者 | Svintradze, D.V, Wright, H.T, Collazo-Santiago, E.A, Lewis, J.P. | | 登録日 | 2011-11-09 | | 公開日 | 2013-07-31 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (4.15 Å) | | 主引用文献 | Structures of the Porphyromonas gingivalis OxyR regulatory domain explain differences in expression of the OxyR regulon in Escherichia coli and P. gingivalis.
Acta Crystallogr.,Sect.D, 69, 2013
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6ZLF
 | | Aerobic crystal structure of F420H2-Oxidase from Methanothermococcus thermolithotrophicus at 1.8A resolution under 125 bars of krypton | | 分子名称: | CHLORIDE ION, Coenzyme F420H2 oxidase (FprA), FLAVIN MONONUCLEOTIDE, ... | | 著者 | Engilberge, S, Wagner, T, Carpentier, P, Girard, E, Shima, S. | | 登録日 | 2020-06-30 | | 公開日 | 2020-11-25 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Krypton-derivatization highlights O 2 -channeling in a four-electron reducing oxidase.
Chem.Commun.(Camb.), 56, 2020
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2XNB
 | | Discovery and Characterisation of 2-Anilino-4-(thiazol-5-yl) pyrimidine Transcriptional CDK Inhibitors as Anticancer Agents | | 分子名称: | 3,4-DIMETHYL-5-(2-{[(1Z)-4-PIPERAZIN-1-YLCYCLOHEXA-2,4-DIEN-1-YLIDENE]AMINO}PYRIMIDIN-4-YL)-1,3-THIAZOL-2(3H)-ONE, CELL DIVISION PROTEIN KINASE 2 | | 著者 | Wang, S, Griffiths, G, Midgley, C.A, Barnett, A.L, Cooper, M, Grabarek, J, Ingram, L, Jackson, W, Kontopidis, G, McClue, S.J, McInnes, C, McLachlan, J, Meades, C, Mezna, M, Stuart, I, Thomas, M.P, Zheleva, D.I, Lane, D.P, Jackson, R.C, Glover, D.M, Blake, D.G, Fischer, P.M. | | 登録日 | 2010-08-01 | | 公開日 | 2010-11-10 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Discovery and Characterisation of 2-Anilino-4-(Thiazol-5-Yl)Pyrimidine Transcriptional Cdk Inhibitors as Anticancer Agents
Chem.Biol., 17, 2010
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4O90
 | | Crystal structure of chorismate synthase from Acinetobacter baumannii at 2.6A resolution | | 分子名称: | Chorismate synthase, GLYCEROL, L(+)-TARTARIC ACID | | 著者 | Chaudhary, A, Singh, N, Shukla, P.K, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P. | | 登録日 | 2013-12-31 | | 公開日 | 2014-01-22 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | | 主引用文献 | Crystal structure of chorismate synthase from Acinetobacter baumannii at 2.6A resolution
To be Published
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4FNO
 | | Crystal structure of peptidyl t-RNA hydrolase from Pseudomonas aeruginosa at 2.2 Angstrom resolution | | 分子名称: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Peptidyl-tRNA hydrolase | | 著者 | Singh, A, Kumar, A, Arora, A, Singh, N, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | 登録日 | 2012-06-20 | | 公開日 | 2012-07-04 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Structural and binding studies of peptidyl-tRNA hydrolase from Pseudomonas aeruginosa provide a platform for the structure-based inhibitor design against peptidyl-tRNA hydrolase
Biochem.J., 463, 2014
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7QR9
 | | Crystal structure of CK1 delta in complex with PK-09-82 | | 分子名称: | 1,2-ETHANEDIOL, 4-[5-(4-fluorophenyl)-3-(pyridin-4-ylmethyl)imidazol-4-yl]-1~{H}-pyrrolo[2,3-b]pyridine, Casein kinase I isoform delta, ... | | 著者 | Chaikuad, A, Khirsariya, P, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2022-01-10 | | 公開日 | 2023-01-18 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Discovery of Potent and Exquisitely Selective Inhibitors of Kinase CK1 with Tunable Isoform Selectivity.
Angew.Chem.Int.Ed.Engl., 62, 2023
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7QRB
 | | Crystal structure of CK1 delta in complex with PK-09-129 | | 分子名称: | 3-(dimethylamino)-~{N}-[4-[4-(4-fluorophenyl)-5-(1~{H}-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]propane-1-sulfonamide, Casein kinase I isoform delta, SULFATE ION | | 著者 | Chaikuad, A, Khirsariya, P, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2022-01-10 | | 公開日 | 2023-01-18 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Discovery of Potent and Exquisitely Selective Inhibitors of Kinase CK1 with Tunable Isoform Selectivity.
Angew.Chem.Int.Ed.Engl., 62, 2023
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1MK6
 | | SOLUTION STRUCTURE OF THE 8,9-DIHYDRO-8-(N7-GUANYL)-9-HYDROXY-AFLATOXIN B1 ADDUCT MISPAIRED WITH DEOXYADENOSINE | | 分子名称: | 5'-D(*AP*CP*AP*TP*CP*GP*AP*TP*CP*T)-3', 5'-D(*AP*GP*AP*TP*AP*GP*AP*TP*GP*T)-3', 8,9-DIHYDRO-9-HYDROXY-AFLATOXIN B1 | | 著者 | Giri, I, Johnston, D.S, Stone, M.P. | | 登録日 | 2002-08-28 | | 公開日 | 2002-10-16 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | MISPAIRING OF THE 8,9-DIHYDRO-8-(N7-GUANYL)-9-HYDROXY-AFLATOXIN B1 ADDUCT WITH DEOXYADENOSINE RESULTS IN EXTRUSION OF THE MISMATCHED DA TOWARD THE MAJOR GROOVE
Biochemistry, 41, 2002
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2XMY
 | | Discovery and Characterisation of 2-Anilino-4-(thiazol-5-yl) pyrimidine Transcriptional CDK Inhibitors as Anticancer Agents | | 分子名称: | 4-[4-(3,4-DIMETHYL-2-OXO-2,3-DIHYDRO-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINO]-N-(2-METHOXY-ETHYL)-BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2 | | 著者 | Wang, S, Griffiths, G, Midgley, C.A, Barnett, A.L, Cooper, M, Grabarek, J, Ingram, L, Jackson, W, Kontopidis, G, McClue, S.J, McInnes, C, McLachlan, J, Meades, C, Mezna, M, Stuart, I, Thomas, M.P, Zheleva, D.I, Lane, D.P, Jackson, R.C, Glover, D.M, Blake, D.G, Fischer, P.M. | | 登録日 | 2010-07-29 | | 公開日 | 2010-11-10 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Discovery and Characterisation of 2-Anilino-4-(Thiazol-5-Yl)Pyrimidine Transcriptional Cdk Inhibitors as Anticancer Agents
Chem.Biol., 17, 2010
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6Z6G
 | | Cryo-EM structure of La Crosse virus polymerase at pre-initiation stage | | 分子名称: | 3'vRNA 1-16, 5'vRNA 1-10, 5'vRNA 9-16, ... | | 著者 | Arragain, B, Effantin, G, Gerlach, P, Reguera, J, Schoehn, G, Cusack, S, Malet, H. | | 登録日 | 2020-05-28 | | 公開日 | 2020-07-29 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (3.06 Å) | | 主引用文献 | Pre-initiation and elongation structures of full-length La Crosse virus polymerase reveal functionally important conformational changes.
Nat Commun, 11, 2020
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4OY9
 | | Crystal structure of human P-Cadherin EC1-EC2 in closed conformation | | 分子名称: | CALCIUM ION, Cadherin-3 | | 著者 | Dalle Vedove, A, Lucarelli, A.P, Nardone, V, Matino, A, Parisini, E. | | 登録日 | 2014-02-11 | | 公開日 | 2015-04-01 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | The X-ray structure of human P-cadherin EC1-EC2 in a closed conformation provides insight into the type I cadherin dimerization pathway.
Acta Crystallogr.,Sect.F, 71, 2015
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4O7K
 | | Crystal structure of Oncogenic Suppression Activity Protein - A Plasmid Fertility Inhibition Factor | | 分子名称: | CHLORIDE ION, ISOPROPYL ALCOHOL, PHOSPHATE ION, ... | | 著者 | Maindola, P, Goyal, P, Arulandu, A. | | 登録日 | 2013-12-25 | | 公開日 | 2014-11-05 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.748 Å) | | 主引用文献 | Multiple enzymatic activities of ParB/Srx superfamily mediate sexual conflict among conjugative plasmids
Nat Commun, 5, 2014
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6DML
 | | A multiconformer ligand model of 3,5 dimethylisoxaxole bound to the bromodomain of human BRD4 | | 分子名称: | 1,2-ETHANEDIOL, 4-((2-(tert-butyl)phenyl)amino)-7-(3,5-dimethylisoxazol-4-yl)-6-methoxy-1,5-naphthyridine-3-carboxylic acid, Bromodomain-containing protein 4 | | 著者 | Hudson, B.M, van Zundert, G, Keedy, D.A, Fonseca, R, Heliou, A, Suresh, P, Borrelli, K, Day, T, Fraser, J.S, van den Bedem, H. | | 登録日 | 2018-06-05 | | 公開日 | 2018-12-19 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps.
J. Med. Chem., 61, 2018
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6ZGE
 | | Uncleavable Spike Protein of SARS-CoV-2 in Closed Conformation | | 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 | Wrobel, A.G, Benton, D.J, Rosenthal, P.B, Gamblin, S.J. | | 登録日 | 2020-06-18 | | 公開日 | 2020-07-01 | | 最終更新日 | 2020-09-16 | | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | | 主引用文献 | SARS-CoV-2 and bat RaTG13 spike glycoprotein structures inform on virus evolution and furin-cleavage effects.
Nat.Struct.Mol.Biol., 27, 2020
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3UWI
 | | Bovine trypsin variant X(tripleGlu217Phe227) in complex with small molecule inhibitor | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, Cationic trypsin, ... | | 著者 | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | | 登録日 | 2011-12-02 | | 公開日 | 2012-12-05 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
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3UPE
 | | Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor | | 分子名称: | 1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-({1-[(1Z)-ethanimidoyl]piperidin-4-yl}oxy)-2-(propan-2-yl)-1H-indole-4-carboxylic acid, CALCIUM ION, Cationic trypsin, ... | | 著者 | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | | 登録日 | 2011-11-18 | | 公開日 | 2012-11-21 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
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2Y5L
 | | orally active aminopyridines as inhibitors of tetrameric fructose 1,6- bisphosphatase | | 分子名称: | FRUCTOSE-1,6-BISPHOSPHATASE 1, N-{[(2Z)-5-bromo-1,3-thiazol-2(3H)-ylidene]carbamoyl}-3-chlorobenzenesulfonamide | | 著者 | ruf, a, hebeisen, p, haap, w, kuhn, b, mohr, p, wessel, h.p, zutter, u, kirchner, s, benz, j, joseph, c, alvarez-sanchez, r, gubler, m, schott, b, benardeau, a, tozzo, e, kitas, e. | | 登録日 | 2011-01-14 | | 公開日 | 2011-05-18 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Orally Active Aminopyridines as Inhibitors of Tetrameric Fructose-1,6-Bisphosphatase.
Bioorg.Med.Chem.Lett., 21, 2011
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4O8V
 | | O-Acetyltransferase Domain of Pseudomonas putida AlgJ | | 分子名称: | Alginate biosynthesis protein AlgJ | | 著者 | Ricer, T, Little, D.J, Whitney, J.C, Robinson, H, Howell, P.L. | | 登録日 | 2013-12-30 | | 公開日 | 2014-10-01 | | 実験手法 | X-RAY DIFFRACTION (1.815 Å) | | 主引用文献 | P. aeruginosa SGNH Hydrolase-Like Proteins AlgJ and AlgX Have Similar Topology but Separate and Distinct Roles in Alginate Acetylation.
Plos Pathog., 10, 2014
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4OB9
 | | Crystal structure of chorismate synthase from Acinetobacter baumannii at 2.50A resolution | | 分子名称: | Chorismate synthase | | 著者 | Shukla, P.K, Chaudhary, A, Singh, N, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P. | | 登録日 | 2014-01-07 | | 公開日 | 2014-01-22 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Crystal structure of chorismate synthase from Acinetobacter baumannii at 2.50A resolution
To be Published
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1MPS
 | | PHOTOSYNTHETIC REACTION CENTER MUTANT WITH PHE M 197 REPLACED WITH ARG AND TYR M 177 REPLACED WITH PHE (CHAIN M, Y177F, F197R) | | 分子名称: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (II) ION, ... | | 著者 | Mcauley-Hecht, K.E, Fyfe, P.K, Ridge, J.P, Prince, S, Hunter, C.N, Isaacs, N.W, Cogdell, R.J, Jones, M.R. | | 登録日 | 1998-03-09 | | 公開日 | 1998-10-14 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Structural studies of wild-type and mutant reaction centers from an antenna-deficient strain of Rhodobacter sphaeroides: monitoring the optical properties of the complex from bacterial cell to crystal.
Biochemistry, 37, 1998
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4FL6
 | | Crystal structure of the complex of the 3-MBT repeat domain of L3MBTL3 and UNC1215 | | 分子名称: | Lethal(3)malignant brain tumor-like protein 3, UNKNOWN ATOM OR ION, [2-(phenylamino)benzene-1,4-diyl]bis{[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone} | | 著者 | Zhong, N, Tempel, W, Ravichandran, M, Dong, A, Ingerman, L.A, Graslund, S, Frye, S.V, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | | 登録日 | 2012-06-14 | | 公開日 | 2012-06-27 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Discovery of a chemical probe for the L3MBTL3 methyllysine reader domain.
Nat. Chem. Biol., 9, 2013
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3UQV
 | | Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor | | 分子名称: | 3-(3-carbamimidoylphenyl)-N-(2'-sulfamoylbiphenyl-4-yl)-1,2-oxazole-4-carboxamide, CALCIUM ION, Cationic trypsin, ... | | 著者 | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | | 登録日 | 2011-11-21 | | 公開日 | 2012-11-21 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
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6Z7C
 | | Variant Surface Glycoprotein VSGsur mutant H122A | | 分子名称: | Variant surface glycoprotein Sur, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | 著者 | Zeelen, J.P, Straaten van, M, Stebbins, C.E. | | 登録日 | 2020-05-30 | | 公開日 | 2021-03-17 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | Structure of trypanosome coat protein VSGsur and function in suramin resistance.
Nat Microbiol, 6, 2021
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6Z7E
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5DHB
 | | Cooperativity and Downstream Binding in RNA Replication | | 分子名称: | GUANOSINE-5'-MONOPHOSPHATE, RNA (5'-R(*(LCC)P*(TLN)P*(LCG)P*UP*AP*CP*A)-3') | | 著者 | Zhang, W, Fahrenbach, A.C, Tam, C.P, Szostak, J.W. | | 登録日 | 2015-08-30 | | 公開日 | 2016-12-07 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Unusual Base-Pairing Interactions in Monomer-Template Complexes.
ACS Cent Sci, 2, 2016
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