4MEN
 
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with a 5-methyl-triazolopyrimidine ligand | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N,5-dimethyl-N-(4-methylbenzyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, Vidler, L.R, Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Hoelder, S, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-08-27 | | Release date: | 2013-09-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Discovery of Novel Small-Molecule Inhibitors of BRD4 Using Structure-Based Virtual Screening.
J.Med.Chem., 56, 2013
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4LSO
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4LYH
 | | Crystal Structure of small molecule vinylsulfonamide 9 covalently bound to K-Ras G12C | | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, N-{1-[N-(4-chloro-5-iodo-2-methoxyphenyl)glycyl]piperidin-4-yl}ethanesulfonamide, ... | | Authors: | Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M. | | Deposit date: | 2013-07-31 | | Release date: | 2013-11-27 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.371 Å) | | Cite: | K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
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4M1T
 | | Crystal Structure of small molecule vinylsulfonamide 14 covalently bound to K-Ras G12C | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, K-Ras GTPase, N-{1-[(2,4-dichlorophenoxy)acetyl]piperidin-4-yl}ethanesulfonamide | | Authors: | Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M. | | Deposit date: | 2013-08-04 | | Release date: | 2013-11-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.703 Å) | | Cite: | K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
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4K2X
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4K6X
 | | Crystal structure of disulfide oxidoreductase from Mycobacterium tuberculosis | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Disulfide oxidoreductase | | Authors: | Premkumar, L, Martin, J.L. | | Deposit date: | 2013-04-16 | | Release date: | 2013-10-02 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.972 Å) | | Cite: | Rv2969c, essential for optimal growth in Mycobacterium tuberculosis, is a DsbA-like enzyme that interacts with VKOR-derived peptides and has atypical features of DsbA-like disulfide oxidases.
Acta Crystallogr.,Sect.D, 69, 2013
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4KB6
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4KPE
 | | Novel fluoroquinolones in complex with topoisomerase IV from S. pneumoniae and E-site G-gate | | Descriptor: | (7aR,8R)-8-amino-4-cyclopropyl-12-fluoro-1-oxo-4,7,7a,8,9,10-hexahydro-1H-pyrrolo[1',2':1,7]azepino[2,3-h]quinoline-2-carboxylic acid, DNA topoisomerase 4 subunit A, DNA topoisomerase 4 subunit B, ... | | Authors: | Laponogov, I, Pan, X.-S, Vesekov, D.A, Cirz, R.T, Wagman, A.S, Moser, H.E, Fisher, L.M, Sanderson, M.R. | | Deposit date: | 2013-05-13 | | Release date: | 2014-11-26 | | Last modified: | 2020-01-29 | | Method: | X-RAY DIFFRACTION (3.43 Å) | | Cite: | Exploring the active site of the Streptococcus pneumoniae topoisomerase IV-DNA cleavage complex with novel 7,8-bridged fluoroquinolones.
Open Biol, 6, 2016
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4KHB
 | | Structure of the Spt16D Pob3N heterodimer | | Descriptor: | SULFATE ION, Uncharacterized protein POB3N, Uncharacterized protein SPT16D | | Authors: | Stuwe, T, Zhang, E, Ladurner, A.G. | | Deposit date: | 2013-04-30 | | Release date: | 2013-05-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis of histone H2A-H2B recognition by the essential chaperone FACT.
Nature, 499, 2013
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4M1S
 | | Crystal Structure of small molecule vinylsulfonamide 13 covalently bound to K-Ras G12C | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, K-Ras GTPase, N-{1-[N-(2,4-dichlorophenyl)glycyl]piperidin-4-yl}ethanesulfonamide | | Authors: | Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M. | | Deposit date: | 2013-08-04 | | Release date: | 2013-11-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.552 Å) | | Cite: | K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
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4M2L
 | | Gamma subunit of the translation initiation factor 2 from Sulfolobus solfataricus in nucleotide-free form | | Descriptor: | 1,2-ETHANEDIOL, PHOSPHATE ION, SULFATE ION, ... | | Authors: | Nikonov, O.S, Stolboushkina, E.A, Arkhipova, V.I, Gabdulkhakov, A.G, Nikulin, A.D, Garber, M.B, Nikonov, S.V. | | Deposit date: | 2013-08-05 | | Release date: | 2014-03-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.149 Å) | | Cite: | Conformational transitions in the gamma subunit of the archaeal translation initiation factor 2.
Acta Crystallogr.,Sect.D, 70, 2014
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4M06
 | | Crystal Structure of Mutant Chlorite Dismutase from Candidatus Nitrospira defluvii W145F in Complex with Cyanide | | Descriptor: | 1,2-ETHANEDIOL, CYANIDE ION, Chlorite dismutase, ... | | Authors: | Hagmueller, A, Gysel, K, Djinovic-Carugo, K. | | Deposit date: | 2013-08-01 | | Release date: | 2014-01-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Manipulating conserved heme cavity residues of chlorite dismutase: effect on structure, redox chemistry, and reactivity.
Biochemistry, 53, 2014
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4M8A
 | | Crystal Structure of Thermotoga maritima FtsH Periplasmic Domain | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ATP-dependent zinc metalloprotease FtsH | | Authors: | An, J.Y, Sharif, H, Barrera, F.N, Karabadzhak, A, Kang, G.B, Park, K.J, Sakkiah, S, Lee, K.W, Lee, S, Engelman, D.M, Wang, J, Eom, S.H. | | Deposit date: | 2013-08-13 | | Release date: | 2014-09-17 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.502 Å) | | Cite: | Structural roles of periplasmic and transmembrane domains of FtsH in ATP-dependent proteolysis
To be Published
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4LQS
 | | Crystal structure of the Cbk1-Mob2 kinase-coactivator complex | | Descriptor: | CBK1 kinase activator protein MOB2, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase CBK1 | | Authors: | Gogl, G, Remenyi, A. | | Deposit date: | 2013-07-19 | | Release date: | 2014-07-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | The Structure of an NDR/LATS Kinase-Mob Complex Reveals a Novel Kinase-Coactivator System and Substrate Docking Mechanism.
Plos Biol., 13, 2015
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4KY9
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4L59
 | | Crystal structure of the 3-MBT repeat domain of L3MBTL3 and UNC2533 complex | | Descriptor: | 4-(pyrrolidin-1-yl)-1-{4-[2-(pyrrolidin-1-yl)ethyl]phenyl}piperidine, Lethal(3)malignant brain tumor-like protein 3, SULFATE ION, ... | | Authors: | Zhong, N, Dong, A, Ravichandran, M, Camerino, M.A, Dickson, B.M, James, L.I, Baughman, B.M, Norris, J.L, Kireev, D.B, Janzen, W.P, Graslund, S, Frye, S.V, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-06-10 | | Release date: | 2013-07-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | The structure-activity relationships of L3MBTL3 inhibitors: flexibility of the dimer interface.
Medchemcomm, 4, 2013
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4L5H
 | | Structure of haze forming proteins in white wines: Vitis vinifera thaumatin-like proteins | | Descriptor: | GLYCEROL, VVTL1 | | Authors: | Marangon, M, Menz, R.I, Waters, E.J, Van Sluyter, S.C. | | Deposit date: | 2013-06-11 | | Release date: | 2013-07-03 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of Haze Forming Proteins in White Wines: Vitis vinifera Thaumatin-Like Proteins.
Plos One, 9, 2014
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4L5K
 | | Crystal structure of the complex of DNA hexamer d(CGATCG) with Coptisine | | Descriptor: | 6,7-dihydro[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquino[3,2-a]isoquinolin-5-ium, DNA (5'-D(*CP*GP*AP*TP*CP*G)-3') | | Authors: | Ferraroni, M, Bazzicalupi, C, Gratteri, P. | | Deposit date: | 2013-06-11 | | Release date: | 2014-07-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Crystal structure of the complex of DNA hexamer d(CGATCG) with Coptisine
to be published
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4L63
 | | Apo form of AB5 holotoxin | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ECXA, ECXB, ... | | Authors: | Littler, D.R, Ng, N.M, Rossjohn, J, Beddoe, T. | | Deposit date: | 2013-06-11 | | Release date: | 2013-11-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | EcxAB Is a Founding Member of a New Family of Metalloprotease AB5 Toxins with a Hybrid Cholera-like B Subunit.
Structure, 21, 2013
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4L81
 | | Structure of the SAM-I/IV riboswitch (env87(deltaU92, deltaG93)) | | Descriptor: | COBALT HEXAMMINE(III), MAGNESIUM ION, S-ADENOSYLMETHIONINE, ... | | Authors: | Trausch, J.J, Reyes, F.E, Edwards, A.L, Batey, R.T. | | Deposit date: | 2013-06-15 | | Release date: | 2014-05-28 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Structural basis for diversity in the SAM clan of riboswitches.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4L95
 | | Crystal structure of gamma glutamyl hydrolase (H218N) from zebrafish | | Descriptor: | GLYCEROL, Gamma-glutamyl hydrolase | | Authors: | Chuankhayan, P, Kao, T.-T, Chen, C.-J, Fu, T.-F. | | Deposit date: | 2013-06-18 | | Release date: | 2014-05-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Structural insights into the hydrolysis and polymorphism of methotrexate polyglutamate by zebrafish gamma-glutamyl hydrolase
J.Med.Chem., 56, 2013
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4L9V
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4IIH
 | | Crystal structure of beta-glucosidase 1 from Aspergillus aculeatus in complex with thiocellobiose | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Suzuki, K, Sumitani, J, Kawaguchi, T, Fushinobu, S. | | Deposit date: | 2012-12-20 | | Release date: | 2013-04-10 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of glycoside hydrolase family 3 beta-glucosidase 1 from Aspergillus aculeatus
Biochem.J., 452, 2013
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4IL8
 | | Crystal structure of an H329A mutant of p. aeruginosa PMM/PGM | | Descriptor: | GLYCEROL, MAGNESIUM ION, Phosphomannomutase/phosphoglucomutase | | Authors: | Lee, Y, Mehra-Chaudhary, R, Furdui, C, Beamer, L. | | Deposit date: | 2012-12-29 | | Release date: | 2013-08-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Identification of an essential active-site residue in the alpha-D-phosphohexomutase enzyme superfamily.
Febs J., 280, 2013
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4IH5
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