6CKW
 
 | | Phosphopantetheine adenylyltransferase (CoaD) in complex with (R)-3-((7-(((S)-2-amino-2-(2-methoxyphenyl)ethyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)-3-(3-chlorophenyl)propanenitrile | | Descriptor: | (3R)-3-[(7-{[(2S)-2-amino-2-(2-methoxyphenyl)ethyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]-3-(3-chlorophenyl)propanenitrile, DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase, ... | | Authors: | Mamo, M, Appleton, B.A. | | Deposit date: | 2018-03-01 | | Release date: | 2018-04-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity.
J. Med. Chem., 61, 2018
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4YAX
 | | Crystal structure of TRIM24 PHD-bromodomain complexed with N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]benzenesulfonamide (5g) | | Descriptor: | GLYCEROL, N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl]benzenesulfonamide, SULFATE ION, ... | | Authors: | Poncet-Montange, G, Palmer, W, Jones, P. | | Deposit date: | 2015-02-18 | | Release date: | 2015-06-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
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2O5A
 | | Crystal structure of Q9KD89 from Bacillus halodurans. Northeast Structural Genomics target BhR21 | | Descriptor: | BH1328 protein, MANGANESE (II) ION, SULFATE ION | | Authors: | Benach, J, Su, M, Seetharaman, J, Ho, C.H, Janjua, H, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2006-12-05 | | Release date: | 2006-12-19 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of Q9KD89 from Bacillus halodurans. Northeast Structural Genomics target BhR21
To be Published
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5V9P
 | | Crystal structure of pyrrolidine amide inhibitor [(3S)-3-(4-bromo-1H-pyrazol-1-yl)pyrrolidin-1-yl][3-(propan-2-yl)-1H-pyrazol-5-yl]methanone (compound 35) in complex with KDM5A | | Descriptor: | Lysine-specific demethylase 5A, NICKEL (II) ION, SULFATE ION, ... | | Authors: | Kiefer, J.R, Liang, J, Vinogradova, M. | | Deposit date: | 2017-03-23 | | Release date: | 2017-05-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | From a novel HTS hit to potent, selective, and orally bioavailable KDM5 inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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5V1B
 | | Structure of PHD1 in complex with 1,2,4-Triazolo-[1,5-a]pyridine | | Descriptor: | 4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile, Egl nine homolog 2, FE (III) ION, ... | | Authors: | Skene, R.J. | | Deposit date: | 2017-03-01 | | Release date: | 2017-06-21 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | 1,2,4-Triazolo-[1,5-a]pyridine HIF Prolylhydroxylase Domain-1 (PHD-1) Inhibitors With a Novel Monodentate Binding Interaction.
J. Med. Chem., 60, 2017
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6CCO
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4YC7
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6D00
 | | Calcarisporiella thermophila Hsp104 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Calcarisporiella thermophila Hsp104 | | Authors: | Zhang, K, Pintilie, G. | | Deposit date: | 2018-04-09 | | Release date: | 2019-04-03 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Structure of Calcarisporiella thermophila Hsp104 Disaggregase that Antagonizes Diverse Proteotoxic Misfolding Events.
Structure, 27, 2019
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5V33
 | | R. sphaeroides photosythetic reaction center mutant - Residue L223, Ser to Trp - Room Temperature Structure Solved on X-ray Transparent Microfluidic Chip | | Descriptor: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (III) ION, ... | | Authors: | Schieferstein, J.M, Pawate, A.S, Sun, C, Wan, F, Broecker, J, Ernst, O.P, Gennis, R.B, Kenis, P.J.A. | | Deposit date: | 2017-03-06 | | Release date: | 2017-04-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.487 Å) | | Cite: | X-ray transparent microfluidic chips for high-throughput screening and optimization of in meso membrane protein crystallization.
Biomicrofluidics, 11, 2017
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5UJ7
 | | Structure of the active form of human Origin Recognition Complex ATPase motor module, complex subunitS 1, 4, 5 | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Origin recognition complex subunit 1, ... | | Authors: | Tocilj, A, Elkayam, E, On, K.F, Joshua-Tor, L. | | Deposit date: | 2017-01-17 | | Release date: | 2017-02-08 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.394 Å) | | Cite: | Structure of the active form of human Origin Recognition Complex and its ATPase motor module.
Elife, 6, 2017
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2OFO
 | | MSrecA-native | | Descriptor: | PHOSPHATE ION, Protein recA | | Authors: | Krishna, R, Rajan Prabu, J, Manjunath, G.P, Datta, S, Chandra, N.R, Muniyappa, K, Vijayan, M. | | Deposit date: | 2007-01-04 | | Release date: | 2007-06-19 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.16 Å) | | Cite: | Snapshots of RecA protein involving movement of the C-domain and different conformations of the DNA-binding loops: crystallographic and comparative analysis of 11 structures of Mycobacterium smegmatis RecA
J.Mol.Biol., 367, 2007
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4YNG
 | | Twinned pyruvate kinase from E. coli in the T-state | | Descriptor: | Pyruvate kinase I, SULFATE ION | | Authors: | Donovan, K.A, Dobson, R.C.J. | | Deposit date: | 2015-03-10 | | Release date: | 2015-03-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Grappling with anisotropic data, pseudo-merohedral twinning and pseudo-translational noncrystallographic symmetry: a case study involving pyruvate kinase.
Acta Crystallogr D Struct Biol, 72, 2016
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6CCQ
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4YTX
 | | Crystal structure of Ups1-Mdm35 complex with PA | | Descriptor: | 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, Mitochondrial distribution and morphology protein 35, Protein UPS1, ... | | Authors: | Watanabe, Y, Tamura, Y, Kawano, S, Endo, T. | | Deposit date: | 2015-03-18 | | Release date: | 2015-08-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural and mechanistic insights into phospholipid transfer by Ups1-Mdm35 in mitochondria.
Nat Commun, 6, 2015
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5UO6
 | | Structure of human neuronal nitric oxide synthase heme domain in complex with (R)-3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)propyl)benzonitrile | | Descriptor: | 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2R)-2-(methylamino)propyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2017-01-31 | | Release date: | 2017-05-03 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors.
J. Med. Chem., 60, 2017
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2OE6
 | | 2.4A X-ray crystal structure of unliganded RNA fragment GGGCGUCGCUAGUACC/CGGUACUAAAAGUCGCC containing the human ribosomal decoding A site: RNA construct with 5'-overhang | | Descriptor: | RNA (5'-R(*CP*GP*GP*UP*AP*CP*UP*AP*AP*AP*AP*GP*UP*CP*GP*CP*C)-3'), RNA (5'-R(*GP*GP*GP*CP*GP*UP*CP*GP*CP*UP*AP*GP*UP*AP*CP*C)-3') | | Authors: | Hermann, T, Tereshko, V, Skripkin, E, Patel, D.J. | | Deposit date: | 2006-12-28 | | Release date: | 2007-02-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Apramycin recognition by the human ribosomal decoding site.
Blood Cells Mol.Dis., 38, 2007
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2OEP
 | | MSrecA-ADP-complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Protein recA | | Authors: | Krishna, R, Rajan Prabu, J, Manjunath, G.P, Datta, S, Chandra, N.R, Muniyappa, K, Vijayan, M. | | Deposit date: | 2006-12-31 | | Release date: | 2007-06-19 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Snapshots of RecA protein involving movement of the C-domain and different conformations of the DNA-binding loops: crystallographic and comparative analysis of 11 structures of Mycobacterium smegmatis RecA
J.Mol.Biol., 367, 2007
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6CNO
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4YVS
 | | crystal structure of the virus-like particle of a c4 strain EV71 | | Descriptor: | Capsid protein VP0, Capsid protein VP1, Capsid protein VP3 | | Authors: | Chen, R, Lyu, K. | | Deposit date: | 2015-03-20 | | Release date: | 2015-04-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.65 Å) | | Cite: | Crystal Structures of Yeast-Produced Enterovirus 71 and Enterovirus 71/Coxsackievirus A16 Chimeric Virus-Like Particles Provide the Structural Basis for Novel Vaccine Design against Hand-Foot-and-Mouth Disease
J.Virol., 89, 2015
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2NS7
 | | How an in vitro selected peptide mimics the antibiotic tetracycline to induce TET repressor | | Descriptor: | Tetracycline repressor protein | | Authors: | Luckner, S.R, Klotzsche, M, Berens, C, Hillen, W, Muller, Y.A. | | Deposit date: | 2006-11-03 | | Release date: | 2007-07-24 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | How an agonist peptide mimics the antibiotic tetracycline to induce Tet-repressor
J.Mol.Biol., 368, 2007
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6CBD
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5VHW
 | | GluA2-0xGSG1L bound to ZK | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor 2,Germ cell-specific gene 1-like protein, {[7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl]methyl}phosphonic acid | | Authors: | Twomey, E.C, Yelshanskaya, M.V, Grassucci, R.A, Frank, J, Sobolevsky, A.I. | | Deposit date: | 2017-04-13 | | Release date: | 2017-05-03 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (7.8 Å) | | Cite: | Structural Bases of Desensitization in AMPA Receptor-Auxiliary Subunit Complexes.
Neuron, 94, 2017
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2OGZ
 | | Crystal structure of DPP-IV complexed with Lilly aryl ketone inhibitor | | Descriptor: | 4-[(3R)-3-{[2-(4-FLUOROPHENYL)-2-OXOETHYL]AMINO}BUTYL]BENZAMIDE, Dipeptidyl peptidase | | Authors: | Timm, D.E. | | Deposit date: | 2007-01-09 | | Release date: | 2007-03-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of non-covalent dipeptidyl peptidase IV inhibitors which induce a conformational change in the active site.
Bioorg.Med.Chem.Lett., 17, 2007
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5VGM
 | | Crystal structure of dihydroorotase pyrC from Vibrio cholerae in complex with zinc at 1.95 A resolution. | | Descriptor: | ACETATE ION, CHLORIDE ION, Dihydroorotase, ... | | Authors: | Lipowska, J, Shabalin, I.G, Miks, C.D, Winsor, J, Cooper, D.R, Shuvalova, L, Kwon, K, Lewinski, K, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2017-04-11 | | Release date: | 2017-04-26 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Pyrimidine biosynthesis in pathogens - Structures and analysis of dihydroorotases from Yersinia pestis and Vibrio cholerae.
Int.J.Biol.Macromol., 136, 2019
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4WZX
 | | ULK3 regulates cytokinetic abscission by phosphorylating ESCRT-III proteins | | Descriptor: | COBALT (II) ION, IST1 homolog, SULFATE ION, ... | | Authors: | Caballe, A, Wenzel, D.M, Agromayor, M, Alam, S.L, Skalicky, J.J, Kloc, M, Carlton, J.G, Labrador, L, Sundquist, W.I, Martin-Serrano, J. | | Deposit date: | 2014-11-20 | | Release date: | 2015-06-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.3859 Å) | | Cite: | ULK3 regulates cytokinetic abscission by phosphorylating ESCRT-III proteins.
Elife, 4, 2015
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