2H2Q
 
 | | Crystal structure of Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate synthase | | Descriptor: | 2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Senkovich, O, Schormann, N, Chattopadhyay, D. | | Deposit date: | 2006-05-19 | | Release date: | 2008-04-08 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure-based approach to pharmacophore identification, in silico screening, and three-dimensional quantitative structure-activity relationship studies for inhibitors of Trypanosoma cruzi dihydrofolate reductase function.
Proteins, 73, 2008
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5VHQ
 | | Conformational Landscape of the p28-Bound Human Proteasome Regulatory Particle | | Descriptor: | 26S proteasome non-ATPase regulatory subunit 10, 26S proteasome non-ATPase regulatory subunit 2, 26S proteasome regulatory subunit 10B, ... | | Authors: | Lu, Y, Wu, J, Dong, Y, Chen, S, Sun, S, Ma, Y.B, Ouyang, Q, Finley, D, Kirschner, M.W, Mao, Y. | | Deposit date: | 2017-04-13 | | Release date: | 2017-08-23 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (8.9 Å) | | Cite: | Conformational Landscape of the p28-Bound Human Proteasome Regulatory Particle.
Mol. Cell, 67, 2017
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3EUL
 | | Structure of the signal receiver domain of the putative response regulator NarL from Mycobacterium tuberculosis | | Descriptor: | CHLORIDE ION, POSSIBLE NITRATE/NITRITE RESPONSE TRANSCRIPTIONAL REGULATORY PROTEIN NARL (DNA-binding response regulator, LuxR family) | | Authors: | Schneider, G, Schnell, R, Agren, D. | | Deposit date: | 2008-10-10 | | Release date: | 2008-11-11 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 1.9 A structure of the signal receiver domain of the putative response regulator NarL from Mycobacterium tuberculosis.
Acta Crystallogr.,Sect.F, 64, 2008
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8B0T
 | | SARS-CoV-2 Main Protease adduct with Au(PEt3)Br | | Descriptor: | 3C-like proteinase nsp5, GOLD ION | | Authors: | Massai, L, Grifagni, D, De Santis, A, Geri, A, Calderone, V, Cantini, F, Banci, L, Messori, L. | | Deposit date: | 2022-09-08 | | Release date: | 2022-12-28 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Gold-Based Metal Drugs as Inhibitors of Coronavirus Proteins: The Inhibition of SARS-CoV-2 Main Protease by Auranofin and Its Analogs.
Biomolecules, 12, 2022
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3UQ7
 | | X-ray structure of a pentameric ligand gated ion channel from Erwinia chrysanthemi (ELIC) mutant L240S F247L (L9S F16L) in presence of 10 mM cysteamine | | Descriptor: | Gamma-aminobutyric-acid receptor subunit beta-1 | | Authors: | Gonzalez-Gutierrez, G, Lukk, T, Agarwal, V, Papke, D, Nair, S.K, Grosman, C. | | Deposit date: | 2011-11-19 | | Release date: | 2012-04-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Mutations that stabilize the open state of the Erwinia chrisanthemi ligand-gated ion channel fail to change the conformation of the pore domain in crystals.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3US9
 | | Crystal Structure of the NCX1 Intracellular Tandem Calcium Binding Domains(CBD12) | | Descriptor: | CALCIUM ION, Sodium/calcium exchanger 1 | | Authors: | Giladi, M, Sasson, Y, Hirsch, J.A, Khananshvili, D. | | Deposit date: | 2011-11-23 | | Release date: | 2012-07-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | A common Ca2+-driven interdomain module governs eukaryotic NCX regulation.
Plos One, 7, 2012
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5VPV
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8B0S
 | | SARS-COV-2 Main Protease adduct with Au(NHC)Cl | | Descriptor: | 3C-like proteinase nsp5, GOLD ION | | Authors: | Massai, L, Grifagni, D, Desantis, A, Geri, A, Calderone, V, Cantini, F, Messori, L, Banci, L. | | Deposit date: | 2022-09-08 | | Release date: | 2022-12-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Gold-Based Metal Drugs as Inhibitors of Coronavirus Proteins: The Inhibition of SARS-CoV-2 Main Protease by Auranofin and Its Analogs.
Biomolecules, 12, 2022
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2H6B
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2H64
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5VRK
 | | Crystal structure of SsoPox AsA6 mutant (F46L-C258A-W263M-I280T) - open form | | Descriptor: | 1,2-ETHANEDIOL, Aryldialkylphosphatase, COBALT (II) ION, ... | | Authors: | Hiblot, J, Gotthard, G, Jacquet, P, Daude, D, Bergonzi, C, Chabriere, E, Elias, M. | | Deposit date: | 2017-05-10 | | Release date: | 2018-01-10 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Rational engineering of a native hyperthermostable lactonase into a broad spectrum phosphotriesterase.
Sci Rep, 7, 2017
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8B8A
 | | Multimerization domain of borna disease virus 1 phosphoprotein | | Descriptor: | Phosphoprotein | | Authors: | Tarbouriech, N, Legrand, P, Bourhis, J.M, Chenavier, F, Freslon, L, Kawasaki, J, Horie, M, Tomonaga, K, Bachiri, K, Coyaud, E, Gonzalez-Dunia, D, Ruigrok, R.W.H, Crepin, T. | | Deposit date: | 2022-10-04 | | Release date: | 2022-11-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Borna Disease Virus 1 Phosphoprotein Forms a Tetramer and Interacts with Host Factors Involved in DNA Double-Strand Break Repair and mRNA Processing.
Viruses, 14, 2022
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3UVP
 | | Human p38 MAP Kinase in Complex with a Benzamide Substituted Benzosuberone | | Descriptor: | Mitogen-activated protein kinase 14, N-{2-fluoro-5-[(5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)amino]phenyl}benzamide, octyl beta-D-glucopyranoside | | Authors: | Mayer-Wrangowski, S.C, Richters, A, Gruetter, C, Rauh, D. | | Deposit date: | 2011-11-30 | | Release date: | 2012-11-07 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Targeting the Hinge Glycine Flip and the Activation Loop: Novel Approach to Potent p38 alpha Inhibitors.
J.Med.Chem., 55, 2012
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5VF3
 | | Bacteriophage T4 isometric capsid | | Descriptor: | Capsid vertex protein gp24, Highly immunogenic outer capsid protein, Major capsid protein, ... | | Authors: | Chen, Z, Sun, L, Zhang, Z, Fokine, A, Padilla-Sanchez, V, Hanein, D, Jiang, W, Rossmann, M.G, Rao, V.B. | | Deposit date: | 2017-04-06 | | Release date: | 2017-09-13 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Cryo-EM structure of the bacteriophage T4 isometric head at 3.3- angstrom resolution and its relevance to the assembly of icosahedral viruses.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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2HB7
 | | Crystal structure of VDR LBD in complex with 2alpha(3-hydroxy-1-propyl) calcitriol | | Descriptor: | 2ALPHA-(3-HYDROXYPROPYL)-1ALPHA,25-DIHYDROXYVITAMIN D3, Vitamin D3 receptor | | Authors: | Hourai, S, Rochel, N, Moras, D. | | Deposit date: | 2006-06-14 | | Release date: | 2006-08-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Probing a Water Channel near the A-Ring of Receptor-Bound 1alpha,25-Dihydroxyvitamin D3 with Selected 2alpha-Substituted Analogues
J.Med.Chem., 49, 2006
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3EX1
 | | human orotidyl-5'-monophosphate decarboxylase soaked with 6-cyano-UMP, converted to UMP | | Descriptor: | 6-cyanouridine 5'-phosphate, GLYCEROL, Orotidine-5'-phosphate decarboxylase, ... | | Authors: | Heinrich, D, Diederichsen, U, Rudolph, M. | | Deposit date: | 2008-10-16 | | Release date: | 2009-04-07 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase
Chemistry, 15, 2009
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3V21
 | | Crystal structure of Type IIF restriction endonuclease Bse634I with cognate DNA | | Descriptor: | DNA (5'-D(*TP*TP*CP*GP*AP*CP*CP*GP*GP*TP*CP*GP*A)-3'), Endonuclease Bse634IR | | Authors: | Manakova, E.N, Grazulis, S, Golovenko, D, Tamulaitiene, G. | | Deposit date: | 2011-12-11 | | Release date: | 2012-04-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural mechanisms of the degenerate sequence recognition by Bse634I restriction endonuclease.
Nucleic Acids Res., 40, 2012
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3V1R
 | | Crystal structures of the reverse transcriptase-associated ribonuclease H domain of XMRV with inhibitor beta-thujaplicinol | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2,7-dihydroxy-4-(propan-2-yl)cyclohepta-2,4,6-trien-1-one, MANGANESE (II) ION, ... | | Authors: | Zhou, D, Wlodawer, A. | | Deposit date: | 2011-12-09 | | Release date: | 2012-03-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structures of the reverse transcriptase-associated ribonuclease H domain of xenotropic murine leukemia-virus related virus.
J.Struct.Biol., 177, 2012
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8B9F
 | | Structure of Echovirus 11 complexed with DAF (CD55) calculated from symmetry expansion | | Descriptor: | Complement decay-accelerating factor, Genome polyprotein, SPHINGOSINE | | Authors: | Stuart, D.I, Ren, J, Qin, L, Zhou, D. | | Deposit date: | 2022-10-05 | | Release date: | 2022-12-07 | | Last modified: | 2023-01-04 | | Method: | ELECTRON MICROSCOPY (3.93 Å) | | Cite: | Switching of Receptor Binding Poses between Closely Related Enteroviruses.
Viruses, 14, 2022
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3EWY
 | | K314A mutant of human orotidyl-5'-monophosphate decarboxylase soaked with OMP, decarboxylated to UMP | | Descriptor: | GLYCEROL, Orotidine-5'-phosphate decarboxylase, URIDINE-5'-MONOPHOSPHATE | | Authors: | Heinrich, D, Diederichsen, U, Rudolph, M. | | Deposit date: | 2008-10-16 | | Release date: | 2009-04-07 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase
Chemistry, 15, 2009
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5VHO
 | | Conformational Landscape of the p28-Bound Human Proteasome Regulatory Particle | | Descriptor: | 26S proteasome non-ATPase regulatory subunit 10, 26S proteasome non-ATPase regulatory subunit 2, 26S proteasome regulatory subunit 10B, ... | | Authors: | Lu, Y, Wu, J, Dong, Y, Chen, S, Sun, S, Ma, Y.B, Ouyang, Q, Finley, D, Kirschner, M.W, Mao, Y. | | Deposit date: | 2017-04-13 | | Release date: | 2017-08-23 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (8.3 Å) | | Cite: | Conformational Landscape of the p28-Bound Human Proteasome Regulatory Particle.
Mol. Cell, 67, 2017
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5W0P
 | | Crystal structure of rhodopsin bound to visual arrestin determined by X-ray free electron laser | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Endolysin,Rhodopsin,S-arrestin | | Authors: | Zhou, X.E, He, Y, de Waal, P.W, Gao, X, Kang, Y, Van Eps, N, Yin, Y, Pal, K, Goswami, D, White, T.A, Barty, A, Latorraca, N.R, Chapman, H.N, Hubbell, W.L, Dror, R.O, Stevens, R.C, Cherezov, V, Gurevich, V.V, Griffin, P.R, Ernst, O.P, Melcher, K, Xu, H.E. | | Deposit date: | 2017-05-31 | | Release date: | 2017-08-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.013 Å) | | Cite: | Identification of Phosphorylation Codes for Arrestin Recruitment by G Protein-Coupled Receptors.
Cell, 170, 2017
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3EX2
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3V45
 | | Crystal Structure of de novo designed serine hydrolase OSH55, Northeast Structural Genomics Consortium Target OR130 | | Descriptor: | CHLORIDE ION, SODIUM ION, Serine hydrolase OSH55 | | Authors: | Kuzin, A, Su, M, Seetharaman, J, Maglaqui, M, Xiao, R, Kohan, E, Rajagopalan, S, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2011-12-14 | | Release date: | 2012-01-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014
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8BSD
 | | SARS-CoV-2 nsp10-16 methyltransferase in complex with tubercidin | | Descriptor: | '2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, ... | | Authors: | Kremling, V, Oberthuer, D, Sprenger, J. | | Deposit date: | 2022-11-24 | | Release date: | 2022-12-07 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structures of Tubercidin bound to the active site of the SARS-CoV-2 methyltransferase nsp10-16
To Be Published
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