4OHU
 
 | | Crystal structure of Mycobacterium tuberculosis InhA in complex with inhibitor PT92 | | Descriptor: | 2-(2-bromophenoxy)-5-hexylphenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Li, H.J, Pan, P, Lai, C.T, Liu, N, Yu, W, Garcia-Diaz, M, Simmerling, C, Tonge, P.J. | | Deposit date: | 2014-01-18 | | Release date: | 2014-04-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.598 Å) | | Cite: | A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA.
Acs Chem.Biol., 9, 2014
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3V30
 | | Crystal Structure of the Peptide Bound Complex of the Ankyrin Repeat Domains of Human RFXANK | | Descriptor: | DNA-binding protein RFX5, DNA-binding protein RFXANK | | Authors: | Lam, R, Xu, C, Bian, C.B, Kania, J, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-12-12 | | Release date: | 2012-04-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Sequence-Specific Recognition of a PxLPxI/L Motif by an Ankyrin Repeat Tumbler Lock.
Sci.Signal., 5, 2012
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3V46
 | | Crystal Structure of Yeast Cdc73 C-Terminal Domain | | Descriptor: | Cell division control protein 73 | | Authors: | Amrich, C.G, VanDemark, A.P. | | Deposit date: | 2011-12-14 | | Release date: | 2012-02-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.549 Å) | | Cite: | Cdc73 subunit of Paf1 complex contains C-terminal Ras-like domain that promotes association of Paf1 complex with chromatin.
J.Biol.Chem., 287, 2012
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3V4F
 | | H-Ras PEG 400/CaCl2, ordered off | | Descriptor: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, CALCIUM ION, GTPase HRas, ... | | Authors: | Holzapfel, G, Mattos, C. | | Deposit date: | 2011-12-14 | | Release date: | 2012-08-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.391 Å) | | Cite: | Shift in the Equilibrium between On and Off States of the Allosteric Switch in Ras-GppNHp Affected by Small Molecules and Bulk Solvent Composition.
Biochemistry, 51, 2012
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4OLP
 | | Ligand-free structure of the GrpU microcompartment shell protein from Pectobacterium wasabiae | | Descriptor: | GrpU microcompartment shell protein | | Authors: | Wheatley, N.M, Thompson, M.C, Gidaniyan, S.D, Sawaya, M.R, Jorda, J, Yeates, T.O. | | Deposit date: | 2014-01-24 | | Release date: | 2014-07-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Identification of a unique fe-s cluster binding site in a glycyl-radical type microcompartment shell protein.
J.Mol.Biol., 426, 2014
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4OMM
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4OMR
 | | Crystal structure of Tfu_1878, a putative enoyl-CoA hydratase from Thermobifida fusca YX in complex with acetoacetyl-CoA | | Descriptor: | ACETOACETYL-COENZYME A, BENZAMIDINE, Enoyl-CoA hydratase | | Authors: | Langner, K.M, Cooper, D.R, Chapman, H.C, Handing, K.B, Stead, M, Hillerich, B, Ahmed, M, Bonanno, J.B, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2014-01-27 | | Release date: | 2014-04-02 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of Tfu_1878, a putative enoyl-CoA hydratase from Thermobifida fusca YX in complex with acetoacetyl-CoA
To be Published
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4OOY
 | | Avibactam and class C beta-lactamases: mechanism of inhibition, conservation of binding pocket and implications for resistance | | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase | | Authors: | Lahiri, S.D, Olivier, N.B, Alm, R.A. | | Deposit date: | 2014-02-04 | | Release date: | 2014-08-20 | | Last modified: | 2018-02-14 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Avibactam and Class C beta-Lactamases: Mechanism of Inhibition, Conservation of the Binding Pocket, and Implications for Resistance.
Antimicrob.Agents Chemother., 58, 2014
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3V21
 | | Crystal structure of Type IIF restriction endonuclease Bse634I with cognate DNA | | Descriptor: | DNA (5'-D(*TP*TP*CP*GP*AP*CP*CP*GP*GP*TP*CP*GP*A)-3'), Endonuclease Bse634IR | | Authors: | Manakova, E.N, Grazulis, S, Golovenko, D, Tamulaitiene, G. | | Deposit date: | 2011-12-11 | | Release date: | 2012-04-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural mechanisms of the degenerate sequence recognition by Bse634I restriction endonuclease.
Nucleic Acids Res., 40, 2012
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3UP3
 | | Nuclear receptor DAF-12 from hookworm Ancylostoma ceylanicum in complex with (25S)-cholestenoic acid | | Descriptor: | (8alpha,10alpha,25S)-3-hydroxycholesta-3,5-dien-26-oic acid, 1,2-ETHANEDIOL, Nuclear receptor coactivator 2, ... | | Authors: | Zhi, X, Zhou, X.E, Melcher, K, Motola, D.L, Gelmedin, V, Hawdon, J, Kliewer, S.A, Mangelsdorf, D.J, Xu, H.E. | | Deposit date: | 2011-11-17 | | Release date: | 2011-12-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Structural Conservation of Ligand Binding Reveals a Bile Acid-like Signaling Pathway in Nematodes.
J.Biol.Chem., 287, 2012
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3UPA
 | | A general strategy for the generation of human antibody variable domains with increased aggregation resistance | | Descriptor: | kappa light chain variable domain | | Authors: | Dudgeon, K, Rouet, R, Kokmeijer, I, Langley, D.B, Christ, D. | | Deposit date: | 2011-11-17 | | Release date: | 2012-06-20 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | General strategy for the generation of human antibody variable domains with increased aggregation resistance
Proc.Natl.Acad.Sci.USA, 109, 2012
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3UQB
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4OUE
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3UQU
 | | Crystal structure of BACE1 with its inhibitor | | Descriptor: | Beta-secretase 1, CHLORIDE ION, N-[(1R)-1-(4-fluorophenyl)ethyl]-N'-[(2S,3S)-3-hydroxy-1-phenyl-4-(1H-pyrazol-1-yl)butan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide, ... | | Authors: | Chen, T.T, Chen, W.Y, Xu, Y.C. | | Deposit date: | 2011-11-21 | | Release date: | 2012-11-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Flexibility of the Flap in the Active Site of BACE1 as Revealed by Crystal Structures and MD simulations
to be published
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4OBK
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3V5Q
 | | Discovery of a selective TRK Inhibitor with efficacy in rodent cancer tumor models | | Descriptor: | 1-(3-{[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-indol-6-yl]amino}phenyl)-3-[3-(trifluoromethyl)phenyl]urea, CHLORIDE ION, NT-3 growth factor receptor | | Authors: | Kreusch, A. | | Deposit date: | 2011-12-16 | | Release date: | 2012-02-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2001 Å) | | Cite: | Discovery of GNF-5837, a Selective TRK Inhibitor with Efficacy in Rodent Cancer Tumor Models.
ACS Med Chem Lett, 3, 2012
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3V0O
 | | Crystal structure of the Fucosylgalactoside alpha N-acetylgalactosaminyltransferase (GTA, cisAB mutant L266G, G268A) in complex with a novel UDP-GalNAc derived inhibitor (4GW) and H-antigen acceptor | | Descriptor: | 5-(5-formylthiophen-2-yl)uridine 5'-(trihydrogen diphosphate), Histo-blood group ABO system transferase, MANGANESE (II) ION, ... | | Authors: | Palcic, M.M, Jorgensen, R. | | Deposit date: | 2011-12-08 | | Release date: | 2013-01-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Base-modified donor analogues reveal novel dynamic features of a glycosyltransferase.
J.Biol.Chem., 288, 2013
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4O6U
 | | 0.89A resolution structure of the hemophore HasA from Pseudomonas aeruginosa (H83A mutant) | | Descriptor: | 1,2-ETHANEDIOL, HasAp, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Lovell, S, Kumar, R, Battaile, K.P, Matsumura, H, Yao, H, Rodriguez, J.C, Moenne-Loccoz, P, Rivera, M. | | Deposit date: | 2013-12-23 | | Release date: | 2014-03-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (0.89 Å) | | Cite: | Replacing the Axial Ligand Tyrosine 75 or Its Hydrogen Bond Partner Histidine 83 Minimally Affects Hemin Acquisition by the Hemophore HasAp from Pseudomonas aeruginosa.
Biochemistry, 53, 2014
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3V1K
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4O8Y
 | | Zinc-free Rpn11 in complex with Rpn8 | | Descriptor: | 1,2-ETHANEDIOL, 26S proteasome regulatory subunit RPN11, 26S proteasome regulatory subunit RPN8 | | Authors: | Worden, E.J, Padovani, C, Martin, A. | | Deposit date: | 2013-12-30 | | Release date: | 2014-01-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure of the Rpn11-Rpn8 dimer reveals mechanisms of substrate deubiquitination during proteasomal degradation.
Nat.Struct.Mol.Biol., 21, 2014
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4OGY
 | | Crystal structure of Fab DX-2930 in complex with human plasma kallikrein at 2.1 Angstrom resolution | | Descriptor: | 1,2-ETHANEDIOL, DX-2930 HEAVY CHAIN, DX-2930 LIGHT CHAIN, ... | | Authors: | Edwards, T.E, Clifton, M.C, Abendroth, J, Nixon, A, Ladner, R. | | Deposit date: | 2014-01-16 | | Release date: | 2014-07-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Inhibition of plasma kallikrein by a highly specific active site blocking antibody.
J.Biol.Chem., 289, 2014
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4OBI
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3V5H
 | | HLA-A2.1 KVAEIVHFL | | Descriptor: | Beta-2-microglobulin, GLYCEROL, HIV-based altered-peptide ligand KVAEIVHFL, ... | | Authors: | Collins, E.J, Lee, H.Y. | | Deposit date: | 2011-12-16 | | Release date: | 2012-12-05 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Prediction of immunogenicity of altered-peptide ligands for HIV therapy
To be Published
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3V6E
 | | Crystal Structure of USP2 and a mutant form of Ubiquitin | | Descriptor: | CHLORIDE ION, GLYCEROL, Ubiquitin, ... | | Authors: | Neculai, M, Ernst, A, Sidhu, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-12-19 | | Release date: | 2012-12-19 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A strategy for modulation of enzymes in the ubiquitin system.
Science, 339, 2013
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4KK3
 | | YwlE arginine phosphatase - wildtype | | Descriptor: | Low molecular weight protein-tyrosine-phosphatase YwlE, PHOSPHATE ION | | Authors: | Fuhrmann, J, Clausen, T. | | Deposit date: | 2013-05-05 | | Release date: | 2013-07-03 | | Last modified: | 2013-07-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural basis for recognizing phosphoarginine and evolving residue-specific protein phosphatases in gram-positive bacteria.
Cell Rep, 3, 2013
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