4MRU
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4MUD
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4N9C
| Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | Descriptor: | 5-nitro-1H-benzimidazole, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION | Authors: | Dragovich, P.S, Zhao, G, Baumeister, T, Bravo, B, Giannetti, A.M, Ho, Y, Hua, R, Li, G, Liang, X, O'Brien, T, Skelton, N.J, Wang, C, Zhao, Q, Oh, A, Wang, W, Wang, Y, Xiao, Y, Yuen, P, Zak, M, Zheng, X. | Deposit date: | 2013-10-20 | Release date: | 2014-02-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.751 Å) | Cite: | Fragment-based design of 3-aminopyridine-derived amides as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg.Med.Chem.Lett., 24, 2014
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4OC0
| X-ray structure of of human glutamate carboxypeptidase II (GCPII) in a complex with CCIBzL, a urea-based inhibitor N~2~-[(1-carboxycyclopropyl)carbamoyl]-N~6~-(4-iodobenzoyl)-L-lysine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Pavlicek, J, Ptacek, J, Cerny, J, Byun, Y, Skultetyova, L, Pomper, M, Lubkowski, J, Barinka, C. | Deposit date: | 2014-01-08 | Release date: | 2014-05-21 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural characterization of P1'-diversified urea-based inhibitors of glutamate carboxypeptidase II. Bioorg.Med.Chem.Lett., 24, 2014
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4OR1
| Structure and mechanism of fibronectin binding and biofilm formation of enteroaggregative Escherischia coli AAF fimbriae | Descriptor: | ACETATE ION, Invasin homolog AafB, Major fimbrial subunit of aggregative adherence fimbria II AafA chimeric construct, ... | Authors: | Lee, W.-C, Garnett, J.A, Yang, Y, Matthews, S. | Deposit date: | 2014-02-10 | Release date: | 2014-12-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural insight into host recognition by aggregative adherence fimbriae of enteroaggregative Escherichia coli. Plos Pathog., 10, 2014
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4OTE
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4OQ4
| Crystal Structure of E18A Human DJ-1 | Descriptor: | Protein DJ-1, SODIUM ION | Authors: | Prahlad, J, Hauser, D.N, Milkovic, N.M, Cookson, M.R, Wilson, M.A. | Deposit date: | 2014-02-07 | Release date: | 2014-02-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Use of cysteine-reactive cross-linkers to probe conformational flexibility of human DJ-1 demonstrates that Glu18 mutations are dimers. J Neurochem, 130, 2014
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4OUQ
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4O19
| The crystal structure of a mutant NAMPT (G217V) | Descriptor: | 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION | Authors: | Oh, A, Coons, M, Brillantes, B, Wang, W. | Deposit date: | 2013-12-15 | Release date: | 2014-10-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors. Plos One, 9, 2014
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4O13
| The crystal structure of NAMPT in complex with GNE-618 | Descriptor: | 1,2-ETHANEDIOL, N-(4-{[3-(trifluoromethyl)phenyl]sulfonyl}benzyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide, Nicotinamide phosphoribosyltransferase, ... | Authors: | Oh, A, Coons, M, Brillantes, B, Wang, W. | Deposit date: | 2013-12-15 | Release date: | 2014-10-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors. Plos One, 9, 2014
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4O3N
| Crystal structure of human dna polymerase eta in ternary complex with native dna and incoming nucleotide (dcp) | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), DNA (5'-D(*CP*AP*TP*GP*AP*TP*GP*AP*CP*GP*CP*T)-3'), ... | Authors: | Patra, A, Egli, M. | Deposit date: | 2013-12-18 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.579 Å) | Cite: | Kinetics, Structure, and Mechanism of 8-Oxo-7,8-dihydro-2'-deoxyguanosine Bypass by Human DNA Polymerase eta J.Biol.Chem., 289, 2014
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4NP9
| Structure of Rabphilin C2A domain bound to IP3 | Descriptor: | D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Rabphilin-3A, SULFATE ION | Authors: | Guillen, J, Ferrer-Orta, C, Buxaderas, M, Perez-Sanchez, D, Guerrero-Valero, M, Luengo-Gil, G, Pous, J, Guerra, P, Gomez-Fernandez, J.C, Verdaguer, N, Corbalan-Garcia, S. | Deposit date: | 2013-11-21 | Release date: | 2013-12-25 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structural insights into the Ca2+ and PI(4,5)P2 binding modes of the C2 domains of rabphilin 3A and synaptotagmin 1. Proc.Natl.Acad.Sci.USA, 110, 2013
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4O3R
| Crystal structure of human polymerase eta extending an 8-oxog dna lesion: post insertion of 8-oxog-da pair | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*A)-3'), DNA (5'-D(*CP*AP*TP*GP*(8OG)P*TP*GP*AP*CP*GP*CP*T)-3'), ... | Authors: | Patra, A, Egli, M. | Deposit date: | 2013-12-18 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Kinetics, Structure, and Mechanism of 8-Oxo-7,8-dihydro-2'-deoxyguanosine Bypass by Human DNA Polymerase eta J.Biol.Chem., 289, 2014
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4O09
| Identification of novel HSP90 / isoform selective inhibitors using structure-based drug design. Demonstration of potential utility in treating CNS disorders such as Huntington s disease | Descriptor: | 8-(2-methylpropyl)-6-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)-3,4-dihydroisoquinolin-1(2H)-one, Heat shock protein HSP 90-alpha | Authors: | Zuccola, H.J, Ernst, J.T. | Deposit date: | 2013-12-13 | Release date: | 2014-04-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Identification of Novel HSP90 alpha / beta Isoform Selective Inhibitors Using Structure-Based Drug Design. Demonstration of Potential Utility in Treating CNS Disorders such as Huntington's Disease. J.Med.Chem., 57, 2014
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4NV1
| Crystal structure of a 4-N formyltransferase from Francisella tularensis | Descriptor: | Formyltransferase, PHOSPHATE ION, THYMIDINE-5'-DIPHOSPHATE, ... | Authors: | Thoden, J.B, Zimmer, A.L, Holden, H.M. | Deposit date: | 2013-12-04 | Release date: | 2013-12-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Three-dimensional structure of a sugar N-formyltransferase from Francisella tularensis. Protein Sci., 23, 2014
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4O10
| Structural and Biochemical Analyses of the Catalysis and Potency Impact of Inhibitor Phosphoribosylation by Human Nicotinamide Phosphoribosyltransferase | Descriptor: | 1,2-ETHANEDIOL, N-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}indolizine-7-carboxamide, Nicotinamide phosphoribosyltransferase, ... | Authors: | Oh, A, Wang, W. | Deposit date: | 2013-12-14 | Release date: | 2014-06-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural and biochemical analyses of the catalysis and potency impact of inhibitor phosphoribosylation by human nicotinamide phosphoribosyltransferase. Chembiochem, 15, 2014
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4O18
| Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors | Descriptor: | 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION | Authors: | Oh, A, Coons, M, Brillantes, B, Wang, W. | Deposit date: | 2013-12-15 | Release date: | 2014-10-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors. Plos One, 9, 2014
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4NZK
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4O17
| Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors | Descriptor: | 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION | Authors: | Oh, A, Coons, M, Brillantes, B, Wang, W. | Deposit date: | 2013-12-15 | Release date: | 2014-10-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors. Plos One, 9, 2014
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4O28
| Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors | Descriptor: | 1,2-ETHANEDIOL, N-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}imidazo[1,2-a]pyridine-6-carboxamide, Nicotinamide phosphoribosyltransferase, ... | Authors: | Oh, A, Coons, M, Brillantes, B, Wang, W. | Deposit date: | 2013-12-17 | Release date: | 2014-10-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors. Plos One, 9, 2014
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4O38
| Crystal structure of the human cyclin G associated kinase (GAK) | Descriptor: | Cyclin-G-associated kinase, GLYCEROL, SUCCINIC ACID | Authors: | Zhang, R, Hatzos-Skintges, C, Weger, A, Chaikuad, A, Eswaran, J, Fedorov, O, King, O, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structural Genomics Consortium (SGC) | Deposit date: | 2013-12-18 | Release date: | 2014-01-01 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2.097 Å) | Cite: | Crystal structure of the human cyclin G associated kinase (GAK) To be Published
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4O1A
| The crystal structure of the mutant NAMPT G217R | Descriptor: | 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION | Authors: | Oh, A, Coons, M, Brillantes, B, Wang, W. | Deposit date: | 2013-12-15 | Release date: | 2014-10-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors. Plos One, 9, 2014
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4NY0
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4O2T
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4O3O
| Crystal structure of human polymerase eta inserting datp opposite an 8-oxog containing dna template | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), DNA (5'-D(*CP*AP*TP*(8OG)P*AP*TP*GP*AP*CP*GP*CP*T)-3'), ... | Authors: | Patra, A, Egli, M. | Deposit date: | 2013-12-18 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.698 Å) | Cite: | Kinetics, Structure, and Mechanism of 8-Oxo-7,8-dihydro-2'-deoxyguanosine Bypass by Human DNA Polymerase eta J.Biol.Chem., 289, 2014
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