5I5Z
 
 | | CDK8-CYCC IN COMPLEX WITH 8-(1-Methyl-2,2-dioxo-2,3-dihydro-1H-2l6-benzo[c]isothiazol-5-yl)-[1,6]naphthyridine-2-carboxylic acid methylamide | | Descriptor: | Cyclin-C, Cyclin-dependent kinase 8, FORMIC ACID, ... | | Authors: | Musil, D, Blagg, J, Mallinger, A. | | Deposit date: | 2016-02-15 | | Release date: | 2016-04-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | 2,8-Disubstituted-1,6-Naphthyridines and 4,6-Disubstituted-Isoquinolines with Potent, Selective Affinity for CDK8/19.
Acs Med.Chem.Lett., 7, 2016
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5ICN
 | | HDAC1:MTA1 in complex with inositol-6-phosphate and a novel peptide inhibitor based on histone H4 | | Descriptor: | GLY-ALA-6A0-ARG-HIS, Histone deacetylase 1, INOSITOL HEXAKISPHOSPHATE, ... | | Authors: | Millard, C.J, Robertson, N.S, Watson, P.J, Jameson, A.G, Schwabe, J.W.R. | | Deposit date: | 2016-02-23 | | Release date: | 2016-05-11 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Insights into the activation mechanism of class I HDAC complexes by inositol phosphates.
Nat Commun, 7, 2016
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5VKU
 | | An atomic structure of the human cytomegalovirus (HCMV) capsid with its securing layer of pp150 tegument protein | | Descriptor: | Major capsid protein, Small capsomere-interacting protein, Tegument protein pp150, ... | | Authors: | Yu, X, Jih, J, Jiang, J, Zhou, H. | | Deposit date: | 2017-04-24 | | Release date: | 2017-06-28 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Atomic structure of the human cytomegalovirus capsid with its securing tegument layer of pp150.
Science, 356, 2017
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7LO1
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5ICW
 | | Crystal structure of human NatF (hNaa60) homodimer bound to Coenzyme A | | Descriptor: | CHLORIDE ION, COENZYME A, N-alpha-acetyltransferase 60 | | Authors: | Stove, S.I, Magin, R.S, Marmorstein, R, Arnesen, T. | | Deposit date: | 2016-02-23 | | Release date: | 2016-06-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.951 Å) | | Cite: | Crystal Structure of the Golgi-Associated Human N alpha-Acetyltransferase 60 Reveals the Molecular Determinants for Substrate-Specific Acetylation.
Structure, 24, 2016
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5I66
 | | X-ray structure of the Fab fragment of 8B6, a murine monoclonal antibody specific for the human serotonin transporter | | Descriptor: | 8B6 antibody, heavy chain, light chain | | Authors: | Coleman, J.A, Green, E.M, Gouaux, E. | | Deposit date: | 2016-02-16 | | Release date: | 2016-04-13 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.624 Å) | | Cite: | X-ray structures and mechanism of the human serotonin transporter.
Nature, 532, 2016
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5VJJ
 | | Crystal structure of the flax-rust effector AvrP | | Descriptor: | Avirulence protein AvrP123, ZINC ION | | Authors: | Zhang, X, Ericsson, D.J, Williams, S.J, Kobe, B. | | Deposit date: | 2017-04-19 | | Release date: | 2017-08-30 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Crystal structure of the Melampsora lini effector AvrP reveals insights into a possible nuclear function and recognition by the flax disease resistance protein P.
Mol. Plant Pathol., 19, 2018
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5VRC
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5VJZ
 | | Joint X-ray/neutron structure of aspartate aminotransferase with alpha-methyl-aspartate at pH 7.5 | | Descriptor: | 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-2-METHYL-SUCCINIC ACID, Aspartate aminotransferase, cytoplasmic | | Authors: | Dajnowicz, S, Kovalevsky, A.Y, Mueser, T.C. | | Deposit date: | 2017-04-20 | | Release date: | 2017-11-01 | | Last modified: | 2022-03-16 | | Method: | NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION | | Cite: | Direct visualization of critical hydrogen atoms in a pyridoxal 5'-phosphate enzyme.
Nat Commun, 8, 2017
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5VKH
 | | Closed conformation of KcsA Y82A-F103A mutant | | Descriptor: | (1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATE, Antibody Heavy Chain, Antibody Light Chain, ... | | Authors: | Cuello, L.G, Perozo, E, Cortes, D.M. | | Deposit date: | 2017-04-21 | | Release date: | 2017-12-06 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | The gating cycle of a K+ channel at atomic resolution.
Elife, 6, 2017
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5VRK
 | | Crystal structure of SsoPox AsA6 mutant (F46L-C258A-W263M-I280T) - open form | | Descriptor: | 1,2-ETHANEDIOL, Aryldialkylphosphatase, COBALT (II) ION, ... | | Authors: | Hiblot, J, Gotthard, G, Jacquet, P, Daude, D, Bergonzi, C, Chabriere, E, Elias, M. | | Deposit date: | 2017-05-10 | | Release date: | 2018-01-10 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Rational engineering of a native hyperthermostable lactonase into a broad spectrum phosphotriesterase.
Sci Rep, 7, 2017
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5I7N
 | | MaoC-like dehydratase | | Descriptor: | MaoC-like dehydratase | | Authors: | Blaise, M. | | Deposit date: | 2016-02-18 | | Release date: | 2016-07-06 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Deletion of a dehydratase important for intracellular growth and cording renders rough Mycobacterium abscessus avirulent.
Proc.Natl.Acad.Sci.USA, 113, 2016
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1SLC
 | | X-RAY CRYSTALLOGRAPHY REVEALS CROSSLINKING OF MAMMALIAN LECTIN (GALECTIN-1) BY BIANTENNARY COMPLEX TYPE SACCHARIDES | | Descriptor: | BOVINE GALECTIN-1, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Bourne, Y, Cambillau, C. | | Deposit date: | 1994-03-12 | | Release date: | 1995-01-26 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crosslinking of mammalian lectin (galectin-1) by complex biantennary saccharides.
Nat.Struct.Biol., 1, 1994
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5VL2
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5VLE
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5I94
 | | Crystal structure of human glutaminase C in complex with the inhibitor UPGL-00019 | | Descriptor: | 2-phenyl-N-{5-[4-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}oxy)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide, Glutaminase kidney isoform, mitochondrial | | Authors: | Huang, Q, Cerione, R. | | Deposit date: | 2016-02-19 | | Release date: | 2016-05-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.983 Å) | | Cite: | Design and evaluation of novel glutaminase inhibitors.
Bioorg.Med.Chem., 24, 2016
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5I9M
 | | Crystal structure of B. pseudomallei FabI in complex with NAD and PT408 | | Descriptor: | 5-ethyl-4-fluoro-2-[(2-methylpyridin-3-yl)oxy]phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Hirschbeck, M.W, Eltschkner, S, Tonge, P.J, Kisker, C. | | Deposit date: | 2016-02-20 | | Release date: | 2017-02-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Rationalizing the Binding Kinetics for the Inhibition of the Burkholderia pseudomallei FabI1 Enoyl-ACP Reductase.
Biochemistry, 56, 2017
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5VLR
 | | CRYSTAL STRUCTURE OF PI3K DELTA IN COMPLEX WITH A TRIFLUORO-ETHYL-PYRAZOL-PYROLOTRIAZINE INHIBITOR | | Descriptor: | 4-acetyl-1-(3-{4-amino-5-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl}phenyl)-3,3-dimethylpiperazin-2-one, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Sack, J.S. | | Deposit date: | 2017-04-26 | | Release date: | 2017-06-07 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Identification of a Potent, Selective, and Efficacious Phosphatidylinositol 3-Kinase delta (PI3K delta ) Inhibitor for the Treatment of Immunological Disorders.
J. Med. Chem., 60, 2017
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5VM4
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5IEJ
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7MBJ
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5IAE
 | | Caspase 3 V266F | | Descriptor: | ACE-ASP-GLU-VAL-ASK, ACETATE ION, CHLORIDE ION, ... | | Authors: | Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. | | Deposit date: | 2016-02-21 | | Release date: | 2016-10-26 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5IB2
 | | Crystal structure of HLA-B*27:05 complexed with the self-peptide pVIPR | | Descriptor: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | | Authors: | Janke, R, Ballaschk, M, Schmieder, P, Uchanska-Ziegler, B, Ziegler, A, Loll, B. | | Deposit date: | 2016-02-22 | | Release date: | 2017-02-01 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Metal-triggered conformational reorientation of a self-peptide bound to a disease-associated HLA-B*27 subtype.
J.Biol.Chem., 2019
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5VF3
 | | Bacteriophage T4 isometric capsid | | Descriptor: | Capsid vertex protein gp24, Highly immunogenic outer capsid protein, Major capsid protein, ... | | Authors: | Chen, Z, Sun, L, Zhang, Z, Fokine, A, Padilla-Sanchez, V, Hanein, D, Jiang, W, Rossmann, M.G, Rao, V.B. | | Deposit date: | 2017-04-06 | | Release date: | 2017-09-13 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Cryo-EM structure of the bacteriophage T4 isometric head at 3.3- angstrom resolution and its relevance to the assembly of icosahedral viruses.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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7LLQ
 | | Substrate-dependent divergence of leukotriene A4 hydrolase aminopeptidase activity | | Descriptor: | 1-benzyl-4-methoxybenzene, 1-{4-oxo-4-[(2S)-pyrrolidin-2-yl]butanoyl}-L-proline, Leukotriene A-4 hydrolase, ... | | Authors: | Lee, K.H, Lee, S.H, Shim, Y.M, Paige, M, Noble, S.M. | | Deposit date: | 2021-02-04 | | Release date: | 2022-06-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Substrate-dependent modulation of the leukotriene A 4 hydrolase aminopeptidase activity and effect in a murine model of acute lung inflammation.
Sci Rep, 12, 2022
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