4OFI
 
 | | Crystal Structure of Duf (Kirre) D1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Kin of irre, isoform A, ... | | Authors: | Ozkan, E, Garcia, K.C. | | Deposit date: | 2014-01-14 | | Release date: | 2014-02-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Extracellular Architecture of the SYG-1/SYG-2 Adhesion Complex Instructs Synaptogenesis.
Cell(Cambridge,Mass.), 156, 2014
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3UE7
 | | X-ray crystal structure of a novel topological analogue of crambin | | Descriptor: | Crambin, D-Crambin | | Authors: | Mandal, K, Pentelute, B.L, Bang, D, Gates, Z.P, Torbeev, V.Y, Kent, S.B.H. | | Deposit date: | 2011-10-28 | | Release date: | 2012-02-08 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | Design, total chemical synthesis, and x-ray structure of a protein having a novel linear-loop polypeptide chain topology.
Angew.Chem.Int.Ed.Engl., 51, 2012
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4OXN
 | | Substrate-like binding mode of inhibitor PT155 to the Mycobacterium tuberculosis enoyl-ACP reductase InhA | | Descriptor: | 3,6,9,12,15-pentaoxaoctadecan-17-amine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-(4-amino-2-methylphenoxy)-2-hexyl-4-hydroxy-1-methylpyridinium, ... | | Authors: | Li, H.J, Pan, P, Lai, C.T, Liu, N, Garcia-Diaz, M, Simmerling, C, Tonge, P.J. | | Deposit date: | 2014-02-05 | | Release date: | 2014-04-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.2926 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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3UEB
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3UGB
 | | UbcH5c~Ubiquitin Conjugate | | Descriptor: | GLYCEROL, Polyubiquitin-C, Ubiquitin-conjugating enzyme E2 D3 | | Authors: | Page, R.C, Pruneda, J.N, Klevit, R.E, Misra, S. | | Deposit date: | 2011-11-02 | | Release date: | 2012-05-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural insights into the conformation and oligomerization of E2~ubiquitin conjugates.
Biochemistry, 51, 2012
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4OG5
 | | Human menin with bound inhibitor MIV-5 | | Descriptor: | 4-(3-{4-[(S)-cyclopentyl(hydroxy)pyridin-2-ylmethyl]piperidin-1-yl}propoxy)benzonitrile, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | Authors: | He, S, Senter, T.J, Pollock, J.W, Han, C, Upadhyay, S.K, Purohit, T, Gogliotti, R.D, Lindsley, C.W, Cierpicki, T, Stauffer, S.R, Grembecka, J. | | Deposit date: | 2014-01-15 | | Release date: | 2014-03-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | High-Affinity Small-Molecule Inhibitors of the Menin-Mixed Lineage Leukemia (MLL) Interaction Closely Mimic a Natural Protein-Protein Interaction.
J.Med.Chem., 57, 2014
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3UEL
 | | Crystal structure of the catalytic domain of rat poly (ADP-ribose) glycohydrolase bound to ADP-HPD | | Descriptor: | 5'-O-[(S)-{[(S)-{[(2R,3R,4S)-3,4-DIHYDROXYPYRROLIDIN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]ADENOSINE, Poly(ADP-ribose) glycohydrolase | | Authors: | Kim, I.K, Kiefer, J.R, Stegemann, R.A, Classen, S, Tainer, J.A, Ellenberger, T. | | Deposit date: | 2011-10-30 | | Release date: | 2012-05-23 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure of mammalian poly(ADP-ribose) glycohydrolase reveals a flexible tyrosine clasp as a substrate-binding element.
Nat.Struct.Mol.Biol., 19, 2012
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3UFY
 | | AKR1C3 complex with R-naproxen | | Descriptor: | (2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid, 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, ... | | Authors: | Squire, C.J, Flanagan, J.U, Yosaatmadja, Y, Teague, R.M, Chai, M. | | Deposit date: | 2011-11-01 | | Release date: | 2012-08-15 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structures of three classes of non-steroidal anti-inflammatory drugs in complex with aldo-keto reductase 1C3.
Plos One, 7, 2012
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4OH4
 | | Crystal structure of BRI1 in complex with BKI1 | | Descriptor: | BRI1 kinase inhibitor 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Protein BRASSINOSTEROID INSENSITIVE 1 | | Authors: | Wang, J, Wang, J, Wu, J.W, Wang, Z.X. | | Deposit date: | 2014-01-17 | | Release date: | 2014-10-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural insights into the negative regulation of BRI1 signaling by BRI1-interacting protein BKI1.
Cell Res., 24, 2014
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4OZN
 | | GlnK2 from Haloferax mediterranei complexed with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Nitrogen regulatory protein P-II, SULFATE ION | | Authors: | Palanca, C, Pedro-Roig, L, Llacer, J.L, Camacho, M, Bonete, M.J, Rubio, V. | | Deposit date: | 2014-02-17 | | Release date: | 2014-07-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The structure of a PII signaling protein from a halophilic archaeon reveals novel traits and high-salt adaptations.
Febs J., 281, 2014
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3UH5
 | | HBI (L36F) CO bound | | Descriptor: | CARBON MONOXIDE, Globin-1, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Ren, Z, Srajer, V, Knapp, J.E, Royer Jr, W.E. | | Deposit date: | 2011-11-03 | | Release date: | 2011-12-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Cooperative macromolecular device revealed by meta-analysis of static and time-resolved structures.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3UG2
 | | Crystal structure of the mutated EGFR kinase domain (G719S/T790M) in complex with gefitinib | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, Gefitinib | | Authors: | Parker, L.J, Handa, N, Yoshikawa, S, Kukimoto-Niino, M, Shirouzu, M, Yokoyama, S. | | Deposit date: | 2011-11-02 | | Release date: | 2012-03-07 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis for the altered drug sensitivities of non-small cell lung cancer-associated mutants of human epidermal growth factor receptor
Oncogene, 32, 2013
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4OZU
 | | Crystal Structure of WD40 domain from Toxoplasma gondii coronin | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, Coronin | | Authors: | Kallio, J.P, Kursula, I. | | Deposit date: | 2014-02-19 | | Release date: | 2014-08-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structure of Toxoplasma gondii coronin, an actin-binding protein that relocalizes to the posterior pole of invasive parasites and contributes to invasion and egress.
Faseb J., 28, 2014
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4OHK
 | | Human GKRP bound to AMG-2526 and S6P | | Descriptor: | (2R)-2-{4-[(2S)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-1,1,1-trifluorohex-4-yn-2-ol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ... | | Authors: | Jordan, S.R, Chmait, S. | | Deposit date: | 2014-01-17 | | Release date: | 2014-10-08 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Small molecule disruptors of the glucokinase-glucokinase regulatory protein interaction: 3. Structure-activity relationships within the aryl carbinol region of the N-arylsulfonamido-N'-arylpiperazine series.
J.Med.Chem., 57, 2014
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3UHF
 | | Crystal Structure of Glutamate Racemase from Campylobacter jejuni subsp. jejuni | | Descriptor: | CHLORIDE ION, D-GLUTAMIC ACID, GLYCEROL, ... | | Authors: | Maltseva, N, Mulligan, R, Kwon, K, Kim, Y, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2011-11-03 | | Release date: | 2012-05-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Crystal Structure of Glutamate Racemase
from Campylobacter jejuni subsp. jejuni
To be Published
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4P0E
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4OHW
 | | C. Elegans Clp1 bound to ATP, and Mn2+(ATP-bound state) | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, NONAETHYLENE GLYCOL, ... | | Authors: | Dikfidan, A, Loll, B, Zeymer, C, Clausen, T, Meinhart, A. | | Deposit date: | 2014-01-18 | | Release date: | 2014-05-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | RNA specificity and regulation of catalysis in the eukaryotic polynucleotide kinase clp1.
Mol.Cell, 54, 2014
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3URJ
 | | Type IV native endothiapepsin | | Descriptor: | Endothiapepsin, SULFATE ION | | Authors: | Bailey, D, Cooper, J.B. | | Deposit date: | 2011-11-22 | | Release date: | 2012-04-04 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | An analysis of subdomain orientation, conformational change and disorder in relation to crystal packing of aspartic proteinases.
Acta Crystallogr.,Sect.D, 68, 2012
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4O6F
 | | Structural Basis of Estrogen Receptor Alpha Methylation Mediated by Histone Methyltransferase SmyD2 | | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Estrogen receptor, N-lysine methyltransferase SMYD2, ... | | Authors: | Jiang, Y, Trescott, L, Holcomb, J, Brunzelle, J, Sirinupong, N, Shi, X, Yang, Z. | | Deposit date: | 2013-12-20 | | Release date: | 2014-03-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.822 Å) | | Cite: | Structural Insights into Estrogen Receptor alpha Methylation by Histone Methyltransferase SMYD2, a Cellular Event Implicated in Estrogen Signaling Regulation.
J.Mol.Biol., 426, 2014
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4OI7
 | | RAGE recognizes nucleic acids and promotes inflammatory responses to DNA | | Descriptor: | 1,2-ETHANEDIOL, 5'-D(*CP*AP*CP*GP*TP*TP*CP*GP*TP*AP*GP*CP*AP*TP*CP*GP*TP*TP*GP*CP*AP*G)-3', 5'-D(*CP*TP*GP*CP*AP*AP*CP*GP*AP*TP*GP*CP*TP*AP*CP*GP*AP*AP*CP*GP*TP*G)-3', ... | | Authors: | Jin, T, Jiang, J, Xiao, T. | | Deposit date: | 2014-01-19 | | Release date: | 2014-04-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.104 Å) | | Cite: | RAGE is a nucleic acid receptor that promotes inflammatory responses to DNA.
J.Exp.Med., 210, 2013
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3US0
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3UIY
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3UT0
 | | Crystal structure of exo-1,3/1,4-beta-glucanase (EXOP) from Pseudoalteromonas sp. BB1 | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Exo-1,3/1,4-beta-glucanase, ... | | Authors: | Nakatani, Y, Cutfield, S.M, Cutfield, J.F. | | Deposit date: | 2011-11-24 | | Release date: | 2011-12-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure and activity of exo-1,3/1,4-beta-glucanase from marine bacterium Pseudoalteromonas sp. BB1 showing a novel C-terminal domain
Febs J., 2011
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4O7E
 | | Crystal structure of the first bromodomain of human BRD4 in complex with SB-610251-B | | Descriptor: | 1,2-ETHANEDIOL, 3-[2-phenyl-4-(pyridin-4-yl)-1H-imidazol-5-yl]phenol, Bromodomain-containing protein 4 | | Authors: | Ember, S.W, Zhu, J.-Y, Watts, C, Schonbrunn, E. | | Deposit date: | 2013-12-24 | | Release date: | 2014-03-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors.
Acs Chem.Biol., 9, 2014
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4OK2
 | | Crystal Structure of Alg17c Mutant Y258A | | Descriptor: | Putative alginate lyase, ZINC ION | | Authors: | Nair, S.K, Park, D.S. | | Deposit date: | 2014-01-21 | | Release date: | 2014-01-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structure of a PL17 Family Alginate Lyase Demonstrates Functional Similarities among Exotype Depolymerases.
J.Biol.Chem., 289, 2014
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