4DLY
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![BU of 4dly by Molmil](/molmil-images/mine/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
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![BU of 4dni by Molmil](/molmil-images/mine/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
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![BU of 4dlf by Molmil](/molmil-images/mine/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
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![BU of 4dmi by Molmil](/molmil-images/mine/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
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![BU of 4dq5 by Molmil](/molmil-images/mine/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
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![BU of 4dqf by Molmil](/molmil-images/mine/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
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![BU of 4dpr by Molmil](/molmil-images/mine/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
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![BU of 4dr4 by Molmil](/molmil-images/mine/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
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![BU of 4dqm by Molmil](/molmil-images/mine/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
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![BU of 4dr7 by Molmil](/molmil-images/mine/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
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![BU of 4dve by Molmil](/molmil-images/mine/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
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![BU of 4dvh by Molmil](/molmil-images/mine/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
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![BU of 4dvw by Molmil](/molmil-images/mine/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
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![BU of 4dw4 by Molmil](/molmil-images/mine/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
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![BU of 4dwc by Molmil](/molmil-images/mine/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
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![BU of 4dwh by Molmil](/molmil-images/mine/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
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![BU of 4dwo by Molmil](/molmil-images/mine/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
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![BU of 4dar by Molmil](/molmil-images/mine/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
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![BU of 4dxj by Molmil](/molmil-images/mine/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
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![BU of 4dbu by Molmil](/molmil-images/mine/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
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![BU of 4e0k by Molmil](/molmil-images/mine/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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