3R4N
| Optimization of Potent, Selective, and Orally Bioavailable Pyrrolodinopyrimidine-containing Inhibitors of Heat Shock Protein 90. Identification of Development Candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide | Descriptor: | 4-[2-chloro-6-(4,4,4-trifluorobutoxy)phenyl]-6-methylpyrimidin-2-amine, Heat shock protein HSP 90-alpha | Authors: | Gajiwala, K.S. | Deposit date: | 2011-03-17 | Release date: | 2011-04-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Optimization of potent, selective, and orally bioavailable pyrrolodinopyrimidine-containing inhibitors of heat shock protein 90. Identification of development candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide. J.Med.Chem., 54, 2011
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3R4O
| Optimization of Potent, Selective, and Orally Bioavailable Pyrrolodinopyrimidine-containing Inhibitors of Heat Shock Protein 90. Identification of Development Candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide | Descriptor: | 2-amino-N-cyclobutyl-4-[2,4-dichloro-6-(4,4,4-trifluorobutoxy)phenyl]-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide, Heat shock protein HSP 90-alpha | Authors: | Gajiwala, K.S. | Deposit date: | 2011-03-17 | Release date: | 2011-04-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Optimization of potent, selective, and orally bioavailable pyrrolodinopyrimidine-containing inhibitors of heat shock protein 90. Identification of development candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide. J.Med.Chem., 54, 2011
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3R4P
| Optimization of potent, selective, and orally bioavailable pyrrolodinopyrimidine-containing inhibitors of heat shock protein 90. identification of development candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide | Descriptor: | 2-amino-4-{2,4-dichloro-6-[2-(1H-pyrazol-1-yl)ethoxy]phenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide, Heat shock protein HSP 90-alpha, PHOSPHATE ION | Authors: | Gajiwala, K.S. | Deposit date: | 2011-03-17 | Release date: | 2011-04-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Optimization of potent, selective, and orally bioavailable pyrrolodinopyrimidine-containing inhibitors of heat shock protein 90. Identification of development candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide. J.Med.Chem., 54, 2011
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5M4Y
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1ASY
| CLASS II AMINOACYL TRANSFER RNA SYNTHETASES: CRYSTAL STRUCTURE OF YEAST ASPARTYL-TRNA SYNTHETASE COMPLEXED WITH TRNA ASP | Descriptor: | ASPARTYL-tRNA SYNTHETASE, T-RNA (75-MER) | Authors: | Ruff, M, Cavarelli, J, Rees, B, Krishnaswamy, S, Thierry, J.C, Moras, D. | Deposit date: | 1995-01-19 | Release date: | 1995-05-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Class II aminoacyl transfer RNA synthetases: crystal structure of yeast aspartyl-tRNA synthetase complexed with tRNA(Asp). Science, 252, 1991
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3R4M
| Optimization of Potent, Selective, and Orally Bioavailable Pyrrolodinopyrimidine-containing Inhibitors of Heat Shock Protein 90. Identification of Development Candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide | Descriptor: | 4-CHLORO-6-(2-METHOXYPHENYL)PYRIMIDIN-2-AMINE, Heat shock protein HSP 90-alpha | Authors: | Almassy, R.J. | Deposit date: | 2011-03-17 | Release date: | 2011-04-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Optimization of potent, selective, and orally bioavailable pyrrolodinopyrimidine-containing inhibitors of heat shock protein 90. Identification of development candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide. J.Med.Chem., 54, 2011
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1ASZ
| THE ACTIVE SITE OF YEAST ASPARTYL-TRNA SYNTHETASE: STRUCTURAL AND FUNCTIONAL ASPECTS OF THE AMINOACYLATION REACTION | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ASPARTYL-tRNA SYNTHETASE, T-RNA (75-MER) | Authors: | Cavarelli, J, Rees, B, Thierry, J.C, Moras, D. | Deposit date: | 1995-01-19 | Release date: | 1995-05-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The active site of yeast aspartyl-tRNA synthetase: structural and functional aspects of the aminoacylation reaction. EMBO J., 13, 1994
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2BPI
| Structure of Iron dependent superoxide dismutase from P. falciparum. | Descriptor: | FE (III) ION, FE-SUPEROXIDE DISMUTASE | Authors: | Boucher, I.W, Brannigan, J, Wilkinson, A.J, Brzozowski, M. | Deposit date: | 2005-04-20 | Release date: | 2006-10-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | The Crystal Structure of Superoxide Dismutase from Plasmodium Falciparum. Bmc Struct.Biol., 6, 2006
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6ES6
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6ES5
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6FEZ
| Ryegrass mottle virus protease domain | Descriptor: | Serine protease domain | Authors: | Kalnins, G. | Deposit date: | 2018-01-03 | Release date: | 2019-04-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | VPg Impact on Ryegrass Mottle Virus Serine-like 3C Protease Proteolysis and Structure. Int J Mol Sci, 24, 2023
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6FF0
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6ES7
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4KAV
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4KAY
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5AA8
| Structure of C1156Y,L1198F Mutant Human Anaplastic Lymphoma Kinase in Complex with PF-06463922 ((10R)-7-amino-12-fluoro-2,10,16-trimethyl- 15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo(4,3-h)(2,5,11) benzoxadiazacyclotetradecine-3-carbonitrile). | Descriptor: | (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile, ALK TYROSINE KINASE RECEPTOR | Authors: | McTigue, M, Deng, Y.-L, Liu, W, Brooun, A, Stewart, A. | Deposit date: | 2015-07-23 | Release date: | 2016-06-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Resensitization to Crizotinib by the Lorlatinib Alk Resistance Mutation L1198F. N.Engl.J.Med., 374, 2016
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6R06
| T. CRUZI FPPS IN COMPLEX WITH (3S,4S)-4-(3,4-dimethylphenoxy)-1-(prop-2-yn-1-yl)piperidin-3-ol | Descriptor: | (3~{S},4~{S})-4-(3,4-dimethylphenoxy)-1-prop-2-ynyl-piperidin-3-ol, ACETATE ION, Farnesyl diphosphate synthase, ... | Authors: | Petrick, J.K, Muenzker, L, Schleberger, C, Wolfgang, J. | Deposit date: | 2019-03-12 | Release date: | 2020-04-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.559 Å) | Cite: | Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery Thesis, 2019
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5BNC
| Structure of heme binding protein MSMEG_6519 from Mycobacterium smegmatis | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, NICKEL (II) ION, ... | Authors: | Ahmed, F.H, Carr, P.D, Jackson, C.J. | Deposit date: | 2015-05-26 | Release date: | 2015-10-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Sequence-Structure-Function Classification of a Catalytically Diverse Oxidoreductase Superfamily in Mycobacteria. J.Mol.Biol., 427, 2015
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6SJQ
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4O49
| Crystal structure of the vaccine antigen Transferrin Binding Protein B (TbpB) mutant Tyr-174-Ala from Actinobacillus pleuropneumoniae H87 | Descriptor: | ACETATE ION, GLYCEROL, Outer membrane protein; transferrin-binding protein | Authors: | Calmettes, C, Yu, R.H, Schryvers, A.B, Moraes, T.F. | Deposit date: | 2013-12-18 | Release date: | 2015-01-14 | Last modified: | 2015-03-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Nonbinding site-directed mutants of transferrin binding protein B exhibit enhanced immunogenicity and protective capabilities. Infect.Immun., 83, 2015
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4O3Z
| Crystal structure of the vaccine antigen Transferrin Binding Protein B (TbpB) mutant Tyr-95-Ala from Actinobacillus pleuropneumoniae H87 | Descriptor: | ACETATE ION, GLYCEROL, Outer membrane protein; transferrin-binding protein | Authors: | Calmettes, C, Yu, R.H, Schryvers, A.B, Moraes, T.F. | Deposit date: | 2013-12-18 | Release date: | 2015-01-14 | Last modified: | 2015-03-04 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Nonbinding site-directed mutants of transferrin binding protein B exhibit enhanced immunogenicity and protective capabilities. Infect.Immun., 83, 2015
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4O3Y
| Crystal structure of the vaccine antigen Transferrin Binding Protein B (TbpB) mutant Arg-179-Glu from Actinobacillus pleuropneumoniae H87 | Descriptor: | ACETATE ION, GLYCEROL, Outer membrane protein; transferrin-binding protein | Authors: | Calmettes, C, Yu, R.H, Schryvers, A.B, Moraes, T.F. | Deposit date: | 2013-12-18 | Release date: | 2015-01-14 | Last modified: | 2015-03-04 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Nonbinding site-directed mutants of transferrin binding protein B exhibit enhanced immunogenicity and protective capabilities. Infect.Immun., 83, 2015
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4O4X
| Crystal structure of the vaccine antigen Transferrin Binding Protein B (TbpB) double mutant Tyr-167-Ala and Trp-176-Ala from Haemophilus parasuis Hp5 | Descriptor: | GLYCEROL, SODIUM ION, SULFATE ION, ... | Authors: | Calmettes, C, Yu, R.H, Schryvers, A.B, Moraes, T.F. | Deposit date: | 2013-12-19 | Release date: | 2015-01-14 | Last modified: | 2015-03-04 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Nonbinding site-directed mutants of transferrin binding protein B exhibit enhanced immunogenicity and protective capabilities. Infect.Immun., 83, 2015
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4O3X
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4NKB
| Crystal Structure of the cryptic polo box (CPB)of ZYG-1 | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, ... | Authors: | Shimanovskaya, E, Dong, G. | Deposit date: | 2013-11-12 | Release date: | 2014-08-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of the C. elegans ZYG-1 Cryptic Polo Box Suggests a Conserved Mechanism for Centriolar Docking of Plk4 Kinases. Structure, 22, 2014
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