6T38
 
 | | Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BROMIDE ION, CHLORIDE ION, ... | | Authors: | Alphey, M.S, Xiao, G, Westwood, J.N. | | Deposit date: | 2019-10-10 | | Release date: | 2020-08-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Next generation Glucose-1-phosphate thymidylyltransferase (RmlA) inhibitors: An extended SAR study to direct future design.
Bioorg.Med.Chem., 50, 2021
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4TXJ
 | | Crystal structure of uridine phosphorylase from Schistosoma mansoni in complex with thymidine | | Descriptor: | SULFATE ION, THYMIDINE, Uridine phosphorylase | | Authors: | Torini, J, Marinho, A, Romanello, L, Cassago, A, DeMarco, R, Brandao-Neto, J, Pereira, H.M. | | Deposit date: | 2014-07-03 | | Release date: | 2015-07-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.662 Å) | | Cite: | Analysis of two Schistosoma mansoni uridine phosphorylases isoforms suggests the emergence of a protein with a non-canonical function.
Biochimie, 125, 2016
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4TXZ
 | | Crystal structure of Vibrio cholerae DncV cyclic AMP-GMP synthase in complex with nonhydrolyzable GTP | | Descriptor: | Cyclic AMP-GMP synthase, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER | | Authors: | Kranzusch, P.J, Lee, A.S.Y, Wilson, S.C, Solovykh, M.S, Vance, R.E, Berger, J.M, Doudna, J.A. | | Deposit date: | 2014-07-07 | | Release date: | 2014-08-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure-Guided Reprogramming of Human cGAS Dinucleotide Linkage Specificity.
Cell, 158, 2014
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4TX1
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4TXH
 | | Crystal structure of uridine phosphorylase from Schistosoma mansoni in APO form | | Descriptor: | SULFATE ION, Uridine phosphorylase | | Authors: | Torini, J, Romanello, L, Marinho, A, Brandao-Neto, J, Cassago, A, DeMarco, R, Pereira, H.M. | | Deposit date: | 2014-07-03 | | Release date: | 2015-10-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.892 Å) | | Cite: | Analysis of two Schistosoma mansoni uridine phosphorylases isoforms suggests the emergence of a protein with a non-canonical function.
Biochimie, 125, 2016
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4TY0
 | | Crystal structure of Vibrio cholerae DncV cyclic AMP-GMP synthase in complex with linear intermediate 5' pppA(3',5')pG | | Descriptor: | ACETATE ION, Cyclic AMP-GMP synthase, MAGNESIUM ION, ... | | Authors: | Kranzusch, P.J, Lee, A.S.Y, Wilson, S.C, Solovykh, M.S, Vance, R.E, Berger, J.M, Doudna, J.A. | | Deposit date: | 2014-07-07 | | Release date: | 2014-08-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-Guided Reprogramming of Human cGAS Dinucleotide Linkage Specificity.
Cell, 158, 2014
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4TYF
 | | Structure of a Metallo-beta-lactamase | | Descriptor: | NDM-4, ZINC ION | | Authors: | Ferguson, J.A, Makena, A, Brem, J, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2014-07-08 | | Release date: | 2015-07-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Structure of a Metallo-beta-lactamase
To Be Published
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4TYL
 | | Fragment-Based Screening of the Bromodomain of ATAD2 | | Descriptor: | 5-amino-1,3,6-trimethyl-1,3-dihydro-2H-benzimidazol-2-one, ATPase family AAA domain-containing protein 2, CHLORIDE ION, ... | | Authors: | Harner, M.J, Chauder, B.A, Phan, J, Fesik, S.W. | | Deposit date: | 2014-07-08 | | Release date: | 2014-10-29 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Fragment-Based Screening of the Bromodomain of ATAD2.
J.Med.Chem., 57, 2014
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4TYI
 | | Structural analysis of the human Fibroblast Growth Factor Receptor 4 | | Descriptor: | 4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one, Fibroblast growth factor receptor 4 | | Authors: | Lesca, E, Lammens, A, Huber, R, Augustin, M. | | Deposit date: | 2014-07-08 | | Release date: | 2014-09-24 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Structural analysis of the human fibroblast growth factor receptor 4 kinase.
J.Mol.Biol., 426, 2014
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6Y13
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4TYN
 | | DEAD-box helicase Mss116 bound to ssDNA and ADP-BeF | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent RNA helicase MSS116, mitochondrial, ... | | Authors: | Mallam, A.L, Sidote, D.J, Lambowitz, A.M. | | Deposit date: | 2014-07-08 | | Release date: | 2014-12-31 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.959 Å) | | Cite: | Molecular insights into RNA and DNA helicase evolution from the determinants of specificity for a DEAD-box RNA helicase.
Elife, 3, 2014
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4TYX
 | | Structure of aquoferric sperm whale myoglobin L29H/F33Y/F43H/S92A mutant | | Descriptor: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Bhagi-Damodaran, A, Petrik, I.D, Robinson, H, Lu, Y. | | Deposit date: | 2014-07-09 | | Release date: | 2014-08-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Systematic tuning of heme redox potentials and its effects on O2 reduction rates in a designed oxidase in myoglobin.
J.Am.Chem.Soc., 136, 2014
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4TYP
 | | Crystal structure of an adenylate kinase mutant--AKm1 | | Descriptor: | Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, ZINC ION | | Authors: | Moon, S, Bae, E. | | Deposit date: | 2014-07-09 | | Release date: | 2014-11-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structures of thermally stable adenylate kinase mutants designed by local structural entropy optimization and structure-guided mutagenesis
J KOREAN SOC APPL BIOL CHEM, 57, 2014
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4TZ4
 | | Crystal Structure of Human Cereblon in Complex with DDB1 and Lenalidomide | | Descriptor: | DNA damage-binding protein 1, Protein cereblon, S-Lenalidomide, ... | | Authors: | Chamberlain, P.P, Pagarigan, B, Delker, S, Leon, B, Riley, M. | | Deposit date: | 2014-07-09 | | Release date: | 2014-08-06 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | Structural Basis for Responsiveness to Thalidomide-Analog Drugs Defined by the Crystal Structure of the Human Cereblon:DDB1:Lenalidomide Complex
To Be Published
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4TZ2
 | | Fragment-Based Screening of the Bromodomain of ATAD2 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-(5-phenyl-4H-1,2,4-triazol-3-yl)aniline, ATPase family AAA domain-containing protein 2, ... | | Authors: | Harner, M.J, Chauder, B.A, Phan, J, Fesik, S.W. | | Deposit date: | 2014-07-09 | | Release date: | 2014-10-29 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Fragment-Based Screening of the Bromodomain of ATAD2.
J.Med.Chem., 57, 2014
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4TZ5
 | | Ensemble refinement of the E502A variant of sacteLam55A from Streptomyces sp. SirexAA-E in complex with laminarihexaose | | Descriptor: | 1,2-ETHANEDIOL, Putative secreted protein, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose, ... | | Authors: | Bianchetti, C.M, Takasuka, T.E, Yik, E.J, Bergeman, L.F, Fox, B.G. | | Deposit date: | 2014-07-09 | | Release date: | 2015-03-18 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Active site and laminarin binding in glycoside hydrolase family 55.
J.Biol.Chem., 290, 2015
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4TUP
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4TZN
 | | Structure of HTP-2 bound to HTP-3 motif-6 | | Descriptor: | Protein HTP-2, Protein HTP-3 | | Authors: | Rosenberg, S.C, Corbett, K.D. | | Deposit date: | 2014-07-10 | | Release date: | 2014-11-19 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.115 Å) | | Cite: | The Chromosome Axis Controls Meiotic Events through a Hierarchical Assembly of HORMA Domain Proteins.
Dev.Cell, 31, 2014
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4TZT
 | | CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS ENOYL REDUCTASE (INHA) COMPLEXED WITH N-(3-CHLORO-2-METHYLPHENYL)-1-CYCLOHEXYL- 5-OXOPYRROLIDINE-3-CARBOXAMIDE | | Descriptor: | (3S)-N-(3-CHLORO-2-METHYLPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | He, X, Alian, A, Stroud, R.M, Ortiz de Montellano, P.R. | | Deposit date: | 2014-07-10 | | Release date: | 2014-08-20 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Pyrrolidine carboxamides as a novel class of inhibitors of enoyl acyl carrier protein reductase from Mycobacterium tuberculosis
J. Med. Chem., 2006
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4TUT
 | | Structure of a Prion peptide | | Descriptor: | Prion peptide: GLY-GLY-TYR-MET-LEU-GLY | | Authors: | Yu, L, Lee, S.-J, Yee, V. | | Deposit date: | 2014-06-24 | | Release date: | 2015-05-27 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (0.9 Å) | | Cite: | Crystal Structures of Polymorphic Prion Protein beta 1 Peptides Reveal Variable Steric Zipper Conformations.
Biochemistry, 54, 2015
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4TUX
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4TV3
 | | Isolated p110a subunit of PI3Ka provides a platform for structure-based drug design | | Descriptor: | 2-amino-8-[trans-4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Chen, P, Deng, Y.-L, Bergqvist, S, Falk, M, Liu, W, Timofeevski, S. | | Deposit date: | 2014-06-25 | | Release date: | 2014-08-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Engineering of an isolated p110 alpha subunit of PI3K alpha permits crystallization and provides a platform for structure-based drug design.
Protein Sci., 23, 2014
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4TVF
 | | OxyB from Actinoplanes teichomyceticus | | Descriptor: | OxyB, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Haslinger, K, Cryle, M.J. | | Deposit date: | 2014-06-26 | | Release date: | 2014-11-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Cytochrome P450 OxyBtei Catalyzes the First Phenolic Coupling Step in Teicoplanin Biosynthesis.
Chembiochem, 15, 2014
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6T7U
 | | Carborane inhibitor of Carbonic Anhydrase IX | | Descriptor: | Carbonic anhydrase 2, Carborane inhibitor, ZINC ION | | Authors: | Brynda, J, Rezacova, P, Kugler, M, Gruner, B. | | Deposit date: | 2019-10-23 | | Release date: | 2020-06-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Sulfonamido carboranes as highly selective inhibitors of cancer-specific carbonic anhydrase IX.
Eur.J.Med.Chem., 200, 2020
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4TZY
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