4DLY
 
 | | Set 1 CaCl2/DTT, ordered off | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CALCIUM ION, GTPase HRas, ... | | Authors: | Holzapfel, G, Mattos, C. | | Deposit date: | 2012-02-06 | | Release date: | 2012-08-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.57 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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4DJG
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4DJW
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4DNI
 | | Structure of Editosome protein | | Descriptor: | Fusion protein of RNA-editing complex proteins MP42 and MP18 | | Authors: | Park, Y.-J, Hol, W. | | Deposit date: | 2012-02-08 | | Release date: | 2012-12-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Explorations of linked editosome domains leading to the discovery of motifs defining conserved pockets in editosome OB-folds.
J.Struct.Biol., 180, 2012
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4DLF
 | | Crystal structure of an amidohydrolase (COG3618) from burkholderia multivorans (TARGET EFI-500235) with bound ZN, space group P3221 | | Descriptor: | Amidohydrolase 2, GLYCEROL, UNKNOWN ATOM OR ION, ... | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Seidel, R.D, Hillerich, B, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Al Obaidi, N.F, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Raushel, F.M, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2012-02-06 | | Release date: | 2012-02-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.925 Å) | | Cite: | Crystal structure of an amidohydrolase (COG3618) from burkholderia multivorans (target efi-500235) with bound ZN, space group P3221
to be published
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4DMI
 | | Crystal Structure of a Pentameric Capsid Protein Isolated from Metagenomic Phage Sequences (CASP) | | Descriptor: | 1,2-ETHANEDIOL, Capsid Protein, SODIUM ION | | Authors: | Craig, T.K, Abendroth, J, Lorimer, D, Burgin Jr, A.B, Segall, A, Rohwer, F. | | Deposit date: | 2012-02-07 | | Release date: | 2012-08-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal Structure of a Pentameric Capsid Protein Isolated from Metagenomic Phage Sequences
To be Published
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4DQ5
 | | Structural Investigation of Bacteriophage Phi6 Lysin (WT) | | Descriptor: | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, Membrane protein Phi6 P5wt | | Authors: | Dessau, M.A, Modis, Y. | | Deposit date: | 2012-02-15 | | Release date: | 2013-01-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.395 Å) | | Cite: | Selective pressure causes an RNA virus to trade reproductive fitness for increased structural and thermal stability of a viral enzyme.
PLoS Genet, 8, 2012
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4DQF
 | | Crystal Structure of (G16A/L38A) HIV-1 Protease in Complex with DRV | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, 1,2-ETHANEDIOL, Aspartyl protease, ... | | Authors: | Schiffer, C.A, Mittal, S. | | Deposit date: | 2012-02-15 | | Release date: | 2012-03-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Hydrophobic core flexibility modulates enzyme activity in HIV-1 protease.
J.Am.Chem.Soc., 134, 2012
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4DOI
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4DPR
 | | Structure of human Leukotriene A4 hydrolase in complex with inhibitor captopril | | Descriptor: | ACETIC ACID, GLYCEROL, L-CAPTOPRIL, ... | | Authors: | Stsiapanava, A, Haeggstrom, J.Z, Rinaldo-Matthis, A. | | Deposit date: | 2012-02-14 | | Release date: | 2013-02-20 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Capturing LTA4hydrolase in action: Insights to the chemistry and dynamics of chemotactic LTB4synthesis.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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4DR4
 | | Crystal structure of the Thermus thermophilus (HB8) 30S ribosomal subunit with codon, cognate transfer RNA anticodon stem-loop and multiple copies of paromomycin molecules bound | | Descriptor: | 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | | Authors: | Demirci, H, Murphy IV, F, Murphy, E, Gregory, S.T, Dahlberg, A.E, Jogl, G. | | Deposit date: | 2012-02-16 | | Release date: | 2012-11-14 | | Last modified: | 2013-01-30 | | Method: | X-RAY DIFFRACTION (3.969 Å) | | Cite: | A structural basis for streptomycin-induced misreading of the genetic code.
Nat Commun, 4, 2013
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4DQM
 | | Revealing a marine natural product as a novel agonist for retinoic acid receptors with a unique binding mode and antitumor activity | | Descriptor: | (5S)-4-[(3E,7E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohex-1-en-1-yl)deca-3,7-dien-1-yl]-5-hydroxyfuran-2(5H)-one, Nuclear receptor coactivator 1, Retinoic acid receptor alpha | | Authors: | Wang, S, Wang, Z, Lin, S, Zheng, W, Wang, R, Jin, S, Chen, J, Jin, L, Li, Y. | | Deposit date: | 2012-02-16 | | Release date: | 2012-10-03 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Revealing a natural marine product as a novel agonist for retinoic acid receptors with a unique binding mode and inhibitory effects on cancer cells.
Biochem.J., 446, 2012
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4DR7
 | | Crystal structure of the Thermus thermophilus (HB8) 30S ribosomal subunit with codon, crystallographically disordered near-cognate transfer RNA anticodon stem-loop mismatched at the second codon position, and streptomycin bound | | Descriptor: | 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | | Authors: | Demirci, H, Murphy IV, F, Murphy, E, Gregory, S.T, Dahlberg, A.E, Jogl, G. | | Deposit date: | 2012-02-16 | | Release date: | 2012-11-14 | | Last modified: | 2013-01-30 | | Method: | X-RAY DIFFRACTION (3.75 Å) | | Cite: | A structural basis for streptomycin-induced misreading of the genetic code.
Nat Commun, 4, 2013
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4DVE
 | | Crystal structure at 2.1 A of the S-component for biotin from an ECF-type ABC transporter | | Descriptor: | BIOTIN, Biotin transporter BioY, nonyl beta-D-glucopyranoside | | Authors: | Berntsson, R.P.-A, ter Beek, J, Majsnerowska, M, Duurkens, R, Puri, P, Poolman, B, Slotboom, D.J. | | Deposit date: | 2012-02-23 | | Release date: | 2012-08-29 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Structural divergence of paralogous S components from ECF-type ABC transporters.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4DVH
 | | Crystal structure of Trypanosoma cruzi mitochondrial iron superoxide dismutase | | Descriptor: | FE (III) ION, Superoxide dismutase | | Authors: | Larrieux, N, Buschiazzo, A. | | Deposit date: | 2012-02-23 | | Release date: | 2013-03-27 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Structural and Molecular Basis of the Peroxynitrite-mediated Nitration and Inactivation of Trypanosoma cruzi Iron-Superoxide Dismutases (Fe-SODs) A and B: DISPARATE SUSCEPTIBILITIES DUE TO THE REPAIR OF TYR35 RADICAL BY CYS83 IN Fe-SODB THROUGH INTRAMOLECULAR ELECTRON TRANSFER.
J.Biol.Chem., 289, 2014
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4DVW
 | | Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with MAE-II-167 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-(4-chloro-3-fluorophenyl)-N'-[(3aS,6aS)-hexahydrocyclopenta[c]pyrrol-3a(1H)-ylmethyl]ethanediamide, ... | | Authors: | Kwon, Y.D, Kwong, P.D. | | Deposit date: | 2012-02-23 | | Release date: | 2013-02-27 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structures of HIV-1 gp120 Envelope Glycoprotein in Complex with NBD Analogues That Target the CD4-Binding Site.
Plos One, 9, 2014
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4DW4
 | | Crystal structure of the glycoprotein Erns from the pestivirus BVDV-1 in complex with 5'-UMP | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, E(rns) glycoprotein, ... | | Authors: | Krey, T, Bontems, F, Vonrhein, C, Vaney, M.-C, Bricogne, G, Ruemenapf, T, Rey, F.A. | | Deposit date: | 2012-02-24 | | Release date: | 2012-05-23 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Crystal Structure of the Pestivirus Envelope Glycoprotein E(rns) and Mechanistic Analysis of Its Ribonuclease Activity.
Structure, 20, 2012
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4DWC
 | | Crystal structure of the glycoprotein Erns from the pestivirus BVDV-1 in complex with Zn ions | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-D-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Krey, T, Bontems, F, Vonrhein, C, Vaney, M.-C, Bricogne, G, Ruemenapf, T, Rey, F.A. | | Deposit date: | 2012-02-24 | | Release date: | 2012-05-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Crystal Structure of the Pestivirus Envelope Glycoprotein E(rns) and Mechanistic Analysis of Its Ribonuclease Activity.
Structure, 20, 2012
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4DWH
 | | Structure of the major type 1 pilus subunit FIMA bound to the FIMC (2.5 A resolution) | | Descriptor: | Chaperone protein fimC, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ... | | Authors: | Scharer, M.A, Puorger, C, Crespo, M, Glockshuber, R, Capitani, G. | | Deposit date: | 2012-02-24 | | Release date: | 2012-05-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Quality control of disulfide bond formation in pilus subunits by the chaperone FimC.
Nat.Chem.Biol., 8, 2012
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4DWO
 | | Crystal structure of a haloacid dehalogenase-like hydrolase (Target EFI-900331) from Bacteroides thetaiotaomicron with bound Mg crystal form II | | Descriptor: | GLYCEROL, Haloacid dehalogenase-like hydrolase, MAGNESIUM ION | | Authors: | Vetting, M.W, Wasserman, S.R, Morisco, L.L, Sojitra, S, Allen, K.N, Dunaway-Mariano, D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2012-02-26 | | Release date: | 2012-03-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of a haloacid dehalogenase-like hydrolase (Target EFI-900331) from Bacteroides thetaiotaomicron with bound Mg crystal form II
To be Published
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4DAR
 | | Crystal structure of the hexameric purine nucleoside phosphorylase from Bacillus subtilis in complex with tubercidin | | Descriptor: | '2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, Purine nucleoside phosphorylase deoD-type | | Authors: | Giuseppe, P.O, Martins, N.H, Meza, A.N, Murakami, M.T. | | Deposit date: | 2012-01-13 | | Release date: | 2012-09-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Insights into phosphate cooperativity and influence of substrate modifications on binding and catalysis of hexameric purine nucleoside phosphorylases.
Plos One, 7, 2012
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4DXJ
 | | Crystal structure of Trypanosome cruzi farnesyl diphosphate synthase in complex with [2-(n-propylamino)ethane-1,1-diyl]bisphosphonic acid and Mg2+ | | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Aripirala, S, Amzel, L.M, Gabelli, S.B. | | Deposit date: | 2012-02-27 | | Release date: | 2013-01-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Design, synthesis, calorimetry, and crystallographic analysis of 2-alkylaminoethyl-1,1-bisphosphonates as inhibitors of Trypanosoma cruzi farnesyl diphosphate synthase.
J.Med.Chem., 55, 2012
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4DBU
 | | Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with NADP+ and 3-((4 -(trifluoromethyl)phenyl)amino)benzoic acid | | Descriptor: | 3-{[4-(trifluoromethyl)phenyl]amino}benzoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Chen, M, Christianson, D.W, Winkler, J.D, Penning, T.M. | | Deposit date: | 2012-01-16 | | Release date: | 2012-03-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.528 Å) | | Cite: | Crystal structures of AKR1C3 containing an N-(aryl)amino-benzoate inhibitor and a bifunctional AKR1C3 inhibitor and androgen receptor antagonist. Therapeutic leads for castrate resistant prostate cancer.
Bioorg.Med.Chem.Lett., 22, 2012
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4DZ7
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4E0K
 | | Crystal Structure of the amyloid-fibril forming peptide KDWSFY derived from human Beta 2 Microglobulin (58-63) | | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Amyloidogenic peptide segment KDWSFY, SODIUM ION | | Authors: | Zhao, M, Liu, C, Sawaya, M.R, Eisenberg, D. | | Deposit date: | 2012-03-04 | | Release date: | 2012-12-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | Out-of-register beta-sheets suggest a pathway to toxic amyloid aggregates.
Proc.Natl.Acad.Sci.USA, 109, 2012
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