4PCE
 
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with compound B13 | | Descriptor: | 1,2-ETHANEDIOL, 1-benzyl-2-ethyl-1,5,6,7-tetrahydro-4H-indol-4-one, Bromodomain-containing protein 4 | | Authors: | Dong, J, Caflisch, A. | | Deposit date: | 2014-04-15 | | Release date: | 2014-05-07 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.293 Å) | | Cite: | Discovery of BRD4 bromodomain inhibitors by fragment-based high-throughput docking.
Bioorg.Med.Chem.Lett., 24, 2014
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6R95
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4UN3
 | | Crystal structure of Cas9 bound to PAM-containing DNA target | | Descriptor: | CRISPR-ASSOCIATED ENDONUCLEASE CAS9/CSN1, MAGNESIUM ION, NON-TARGET DNA STRAND, ... | | Authors: | Anders, C, Niewoehner, O, Duerst, A, Jinek, M. | | Deposit date: | 2014-05-25 | | Release date: | 2014-07-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.593 Å) | | Cite: | Structural Basis of Pam-Dependent Target DNA Recognition by the Cas9 Endonuclease
Nature, 513, 2014
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6R0J
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4PG1
 | | Insights into Substrate and Metal Binding from the Crystal Structure of Cyanobacterial Aldehyde Deformylating Oxygenase with Substrate Bound | | Descriptor: | (1S,2S)-2-nonylcyclopropanecarboxylic acid, Aldehyde decarbonylase, DIMETHYL SULFOXIDE, ... | | Authors: | Buer, B.C, Paul, B, Das, D, Stuckey, J.A, Marsh, E.N.G. | | Deposit date: | 2014-05-01 | | Release date: | 2014-11-19 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Insights into substrate and metal binding from the crystal structure of cyanobacterial aldehyde deformylating oxygenase with substrate bound.
Acs Chem.Biol., 9, 2014
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6R96
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4PD5
 | | Crystal structure of vcCNT-7C8C bound to gemcitabine | | Descriptor: | DECYL-BETA-D-MALTOPYRANOSIDE, GEMCITABINE, NupC family protein, ... | | Authors: | Johnson, Z.L, Lee, S.-Y. | | Deposit date: | 2014-04-17 | | Release date: | 2014-08-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.906 Å) | | Cite: | Structural basis of nucleoside and nucleoside drug selectivity by concentrative nucleoside transporters.
Elife, 3, 2014
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4PG6
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4PGI
 | | Insights into Substrate and Metal Binding from the Crystal Structure of Cyanobacterial Aldehyde Deformylating Oxygenase with Substrate Analogs Bound | | Descriptor: | 1,2-ETHANEDIOL, 11-[2-(2-ethoxyethoxy)ethoxy]undecanal, Aldehyde decarbonylase, ... | | Authors: | Buer, B.C, Paul, B, Das, D, Stuckey, J.A, Marsh, E.N.G. | | Deposit date: | 2014-05-02 | | Release date: | 2015-02-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Insights into substrate and metal binding from the crystal structure of cyanobacterial aldehyde deformylating oxygenase with substrate bound.
Acs Chem.Biol., 9, 2014
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4PDA
 | | Structure of vcCNT-7C8C bound to cytidine | | Descriptor: | 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, DECYL-BETA-D-MALTOPYRANOSIDE, NupC family protein, ... | | Authors: | Johnson, Z.L, Lee, S.-Y. | | Deposit date: | 2014-04-17 | | Release date: | 2014-08-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.608 Å) | | Cite: | Structural basis of nucleoside and nucleoside drug selectivity by concentrative nucleoside transporters.
Elife, 3, 2014
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4PH0
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5HZ9
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2G4T
 | | anomalous substructure of porcine pancreatic elastase (Na) | | Descriptor: | Elastase-1, SODIUM ION, SULFATE ION | | Authors: | Mueller-Dieckmann, C, Weiss, M.S. | | Deposit date: | 2006-02-22 | | Release date: | 2007-02-20 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | On the routine use of soft X-rays in macromolecular crystallography. Part IV. Efficient determination of anomalous substructures in biomacromolecules using longer X-ray wavelengths.
Acta Crystallogr.,Sect.D, 63, 2007
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2G4U
 | | Anomalous substructure of porcine pancreatic elastaase (Ca) | | Descriptor: | CALCIUM ION, CITRATE ANION, elastase-1 | | Authors: | Mueller-Dieckmann, C, Weiss, M.S. | | Deposit date: | 2006-02-22 | | Release date: | 2007-02-20 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | On the routine use of soft X-rays in macromolecular crystallography. Part IV. Efficient determination of anomalous substructures in biomacromolecules using longer X-ray wavelengths.
Acta Crystallogr.,Sect.D, 63, 2007
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4PEW
 | | Structure of sacteLam55A from Streptomyces sp. SirexAA-E | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, Putative secreted protein | | Authors: | Bianchetti, C.M, Takasuka, T.E, Bergeman, L.F, Fox, B.G. | | Deposit date: | 2014-04-25 | | Release date: | 2015-03-18 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Active site and laminarin binding in glycoside hydrolase family 55.
J.Biol.Chem., 290, 2015
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4PJ1
 | | Crystal structure of the human mitochondrial chaperonin symmetrical 'football' complex | | Descriptor: | 10 kDa heat shock protein, mitochondrial, 60 kDa heat shock protein, ... | | Authors: | Frolow, F, Azem, A, Nisemblat, S. | | Deposit date: | 2014-05-10 | | Release date: | 2015-04-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Crystal structure of the human mitochondrial chaperonin symmetrical football complex.
Proc.Natl.Acad.Sci.USA, 112, 2015
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6RHK
 | | The crystal structure of human carbonic anhydrase II in complex with 4-(3-benzylimidazolidine-1-carbonyl)benzenesulfonamide | | Descriptor: | 4-[3-(phenylmethyl)imidazolidin-1-yl]carbonylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Ferraroni, M, Angeli, A, Supuran, C.T. | | Deposit date: | 2019-04-22 | | Release date: | 2020-05-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Sulfonamides incorporating piperazine bioisosteres as potent human carbonic anhydrase I, II, IV and IX inhibitors.
Bioorg.Chem., 91, 2019
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5I1P
 | | Villin headpiece subdomain with a Lys30 to beta-3-homolysine substitution | | Descriptor: | D-Villin headpiece subdomain, ETHANOL, Villin-1 | | Authors: | Kreitler, D.F, Mortenson, D.E, Gellman, S.H, Forest, K.T. | | Deposit date: | 2016-02-05 | | Release date: | 2016-05-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Effects of Single alpha-to-beta Residue Replacements on Structure and Stability in a Small Protein: Insights from Quasiracemic Crystallization.
J.Am.Chem.Soc., 138, 2016
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3V98
 | | S663D Stable-5-LOX | | Descriptor: | Arachidonate 5-lipoxygenase, FE (II) ION | | Authors: | Gilbert, N.C, Rui, Z, Neau, D.B, Waight, M, Bartlett, S.G, Boeglin, W.E, Brash, A.R, Newcomer, M.E. | | Deposit date: | 2011-12-23 | | Release date: | 2012-05-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Conversion of human 5-lipoxygenase to a 15-lipoxygenase by a point mutation to mimic phosphorylation at Serine-663.
Faseb J., 26, 2012
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6RJ3
 | | Crystal structure of PHGDH in complex with compound 15 | | Descriptor: | 4-[(1~{R})-1-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]ethyl]benzoic acid, D-3-phosphoglycerate dehydrogenase, SULFATE ION | | Authors: | Bader, G, Wolkerstorfer, B, Zoephel, A. | | Deposit date: | 2019-04-26 | | Release date: | 2019-08-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis.
J.Med.Chem., 62, 2019
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5HZZ
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4PMM
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6RK8
 | | Fragment AZ-014 binding at the p53pT387/14-3-3 sigma interface | | Descriptor: | 14-3-3 protein sigma, 7-(3-azanyl-4-methyl-pyrazol-1-yl)-1-benzothiophene-2-carboximidamide, CHLORIDE ION, ... | | Authors: | Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C. | | Deposit date: | 2019-04-30 | | Release date: | 2020-06-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.602 Å) | | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
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4PMX
 | | Crystal structure of GH10 endo-b-1,4-xylanase (XynB) from Xanthomonas axonopodis pv citri in the native form | | Descriptor: | CALCIUM ION, Xylanase | | Authors: | Santos, C.R, Martins, V.P.M, Zanphorlin, L.M, Ruller, R, Murakami, M.T. | | Deposit date: | 2014-05-22 | | Release date: | 2014-10-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.304 Å) | | Cite: | Molecular mechanisms associated with xylan degradation by xanthomonas plant pathogens.
J.Biol.Chem., 289, 2014
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6RKD
 | | Molybdenum storage protein under turnover conditions | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, MO(VI)(=O)(OH)2 CLUSTER, ... | | Authors: | Bruenle, S, Mills, D.J, Vonck, J, Ermler, U. | | Deposit date: | 2019-04-30 | | Release date: | 2019-12-18 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Molybdate pumping into the molybdenum storage protein via an ATP-powered piercing mechanism.
Proc.Natl.Acad.Sci.USA, 2019
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