5VOE
| DesGla-XaS195A Bound to Aptamer 11F7t | Descriptor: | Aptamer 11F7t (36-MER), CALCIUM ION, Coagulation factor X, ... | Authors: | Gunaratne, R, Kumar, S, Frederiksen, J.W, Stayrook, S, Lohrmann, J.L, Perry, K, Chabata, C.V, Thalji, N.K, Ho, M.D, Arepally, G, Camire, R.M, Krishnaswamy, S.K, Sullenger, B.A. | Deposit date: | 2017-05-02 | Release date: | 2018-06-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Combination of aptamer and drug for reversible anticoagulation in cardiopulmonary bypass. Nat. Biotechnol., 36, 2018
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5V08
| Crystal structure of human exonuclease 1 Exo1 (D173A) in complex with 5' recessed-end DNA (rVI) | Descriptor: | DNA (5'-D(*CP*GP*CP*TP*AP*GP*TP*CP*GP*AP*CP*AP*T)-3'), DNA (5'-D(P*TP*CP*GP*AP*CP*TP*AP*GP*CP*G)-3'), Exonuclease 1, ... | Authors: | Shi, Y, Beese, L.S. | Deposit date: | 2017-02-28 | Release date: | 2017-05-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.812 Å) | Cite: | Interplay of catalysis, fidelity, threading, and processivity in the exo- and endonucleolytic reactions of human exonuclease I. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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3ZQS
| Human FANCL central domain | Descriptor: | E3 UBIQUITIN-PROTEIN LIGASE FANCL, HEXAETHYLENE GLYCOL, PROLINE, ... | Authors: | Hodson, C, Cole, A.R, Purkiss-Trew, A, Walden, H. | Deposit date: | 2011-06-10 | Release date: | 2011-07-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Analysis of Human Fancl, the E3 Ligase in the Fanconi Anemia Pathway. J.Biol.Chem., 286, 2011
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1L0R
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5V09
| Crystal structure of human exonuclease 1 Exo1 (D225A) in complex with 5' recessed-end DNA (rVII) | Descriptor: | DNA (5'-D(*CP*GP*CP*TP*AP*GP*TP*CP*GP*TP*CP*AP*T)-3'), DNA (5'-D(P*AP*CP*GP*AP*CP*TP*AP*GP*CP*G)-3'), Exonuclease 1, ... | Authors: | Shi, Y, Beese, L.S. | Deposit date: | 2017-02-28 | Release date: | 2017-05-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Interplay of catalysis, fidelity, threading, and processivity in the exo- and endonucleolytic reactions of human exonuclease I. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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7LFX
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5W2O
| Crystal structure of Mycobacterium tuberculosis KasA | Descriptor: | 3,3',3''-phosphanetriyltripropanoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 1, CHLORIDE ION, ... | Authors: | Capodagli, G.C, Neiditch, M.B. | Deposit date: | 2017-06-06 | Release date: | 2018-12-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Synergistic Lethality of a Binary Inhibitor of Mycobacterium tuberculosis KasA. MBio, 9, 2018
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5V4I
| Osmium(II)(cymene)(chlorido)2-lysozyme adduct with one binding site | Descriptor: | Lysozyme C, SODIUM ION, dichloro[(1,2,3,4,5,6-eta)-3-methyl-6-(propan-2-yl)benzene-1,2,4,5-tetrayl]osmium | Authors: | Sullivan, M.P, Hartinger, C.G, Goldstone, D.C. | Deposit date: | 2017-03-09 | Release date: | 2017-04-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The metalation of hen egg white lysozyme impacts protein stability as shown by ion mobility mass spectrometry, differential scanning calorimetry, and X-ray crystallography. Chem. Commun. (Camb.), 53, 2017
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5ZOC
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466D
| DISORDER AND TWIN REFINEMENT OF RNA HEPTAMER DOUBLE HELIX | Descriptor: | RNA (5'-R(*GP*GP*GP*GP*CP*UP*A)-3'), RNA (5'-R(*UP*AP*GP*CP*UP*CP*C)-3'), SODIUM ION, ... | Authors: | Mueller, U, Muller, Y.A, Herbst-Irmer, R, Sprinzl, M, Heinemann, U. | Deposit date: | 1999-04-14 | Release date: | 1999-08-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Disorder and twin refinement of RNA heptamer double helices. Acta Crystallogr.,Sect.D, 55, 1999
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9AVK
| Structure of long Rib domain from Limosilactobacillus reuteri | Descriptor: | SODIUM ION, THIOCYANATE ION, YSIRK signal domain/LPXTG anchor domain surface protein | Authors: | Xue, Y, Kang, X. | Deposit date: | 2024-03-04 | Release date: | 2024-05-08 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Crystal structure of the long Rib domain of the LPXTG-anchored surface protein from Limosilactobacillus reuteri. Acta Crystallogr.,Sect.F, 80, 2024
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4AFK
| In meso structure of alginate transporter, AlgE, from Pseudomonas aeruginosa, PAO1 | Descriptor: | (2R)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ... | Authors: | Tan, J, Pye, V.E, Aragao, D, Caffrey, M. | Deposit date: | 2012-01-19 | Release date: | 2013-02-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.897 Å) | Cite: | A Conformational Landscape for Alginate Secretion Across the Outer Membrane of Pseudomonas Aeruginosa. Acta Crystallogr.,Sect.D, 70, 2014
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5VAW
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5WRA
| Crystal structure of hen egg-white lysozyme | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | Authors: | Sugahara, M, Suzuki, M, Masuda, T, Inoue, S, Nango, E. | Deposit date: | 2016-12-01 | Release date: | 2017-12-06 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Hydroxyethyl cellulose matrix applied to serial crystallography Sci Rep, 7, 2017
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3UOY
| Crystal Structure of OTEMO complex with FAD and NADP (form 1) | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, OTEMO, ... | Authors: | Shi, R, Matte, A, Cygler, M, Lau, P. | Deposit date: | 2011-11-17 | Release date: | 2012-02-01 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Cloning, Baeyer-Villiger biooxidations, and structures of the camphor pathway 2-oxo-{Delta}(3)-4,5,5-trimethylcyclopentenylacetyl-coenzyme A monooxygenase of Pseudomonas putida ATCC 17453. Appl.Environ.Microbiol., 78, 2012
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5UOV
| HIV-1 wild Type protease with GRL-1118A , an isophthalamide-derived P2-P3 ligand with the sulfonamide isostere as the P2' group | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Wang, Y.-F, Agniswamy, J, Weber, I.T. | Deposit date: | 2017-02-01 | Release date: | 2017-05-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Design of novel HIV-1 protease inhibitors incorporating isophthalamide-derived P2-P3 ligands: Synthesis, biological evaluation and X-ray structural studies of inhibitor-HIV-1 protease complex. Bioorg. Med. Chem., 25, 2017
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5VB7
| X-ray co-structure of nuclear receptor ROR-gammat Ligand Binding Domain with an agonist and SRC2 peptide | Descriptor: | N-methyl-N'-(3-methylbut-2-en-1-yl)-N'-(3-phenoxyphenyl)-N-[trans-4-(pyridin-4-yl)cyclohexyl]urea, Nuclear receptor ROR-gamma, SRC2 chimera, ... | Authors: | Li, X. | Deposit date: | 2017-03-28 | Release date: | 2017-06-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.335 Å) | Cite: | Structural studies unravel the active conformation of apo ROR gamma t nuclear receptor and a common inverse agonism of two diverse classes of ROR gamma t inhibitors. J. Biol. Chem., 292, 2017
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3UY7
| Designed protein KE59 R1 7/10H with G130S mutation | Descriptor: | Kemp eliminase KE59 R1 7/10H, SODIUM ION, SULFATE ION | Authors: | Khersonsky, O, Kiss, G, Roethlisberger, D, Dym, O, Albeck, S, Houk, K.N, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2011-12-06 | Release date: | 2012-06-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59. Proc.Natl.Acad.Sci.USA, 109, 2012
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5V69
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3V72
| Crystal Structure of Rat DNA polymerase beta Mutator E295K: Enzyme-dsDNA | Descriptor: | CHLORIDE ION, DNA 5'-D(P*AP*AP*AP*CP*TP*CP*AP*CP*AP*T)-3', DNA 5'-D(P*AP*TP*GP*TP*GP*AP*GP*T)-3', ... | Authors: | Gridley, C.L, Jaeger, J. | Deposit date: | 2011-12-20 | Release date: | 2012-07-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Unfavorable Electrostatic and Steric Interactions in DNA Polymerase beta E295K Mutant Interfere with the Enzyme s Pathway J.Am.Chem.Soc., 134, 2012
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5WQO
| Crystal structure of a carbonyl reductase from Pseudomonas aeruginosa PAO1 in complex with NADP (condition I) | Descriptor: | 1,2-ETHANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Probable dehydrogenase, ... | Authors: | Li, S, Wang, Y, Bartlam, M. | Deposit date: | 2016-11-27 | Release date: | 2017-10-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structure and characterization of a NAD(P)H-dependent carbonyl reductase from Pseudomonas aeruginosa PAO1. FEBS Lett., 591, 2017
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5WLO
| a novel 13-ring macrocyclic HIV-1 protease inhibitors involving the P1'-P2' ligands | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[(7E)-13-methoxy-1,1-dioxo-1,4,5,6,9,11-hexahydro-10,1lambda~6~,2-benzoxathiazacyclotridecin-2(3H)-yl]-1-phenylbutan-2-yl}carbamate, ACETATE ION, CHLORIDE ION, ... | Authors: | Wang, Y.-F, Agniswamy, J, Weber, I.T. | Deposit date: | 2017-07-27 | Release date: | 2017-10-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Design, synthesis, X-ray studies, and biological evaluation of novel macrocyclic HIV-1 protease inhibitors involving the P1'-P2' ligands. Bioorg. Med. Chem. Lett., 27, 2017
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5UIH
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5VZB
| Post-catalytic complex of human Polymerase Mu (G433S) mutant with incoming UTP | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DNA (5'-D(*CP*GP*GP*CP*AP*TP*AP*CP*G)-3'), ... | Authors: | Moon, A.F, Pryor, J.M, Ramsden, D.A, Kunkel, T.A, Bebenek, K, Pedersen, L.C. | Deposit date: | 2017-05-27 | Release date: | 2017-07-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural accommodation of ribonucleotide incorporation by the DNA repair enzyme polymerase Mu. Nucleic Acids Res., 45, 2017
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5VZH
| Post-catalytic complex of human Polymerase Mu (W434H) mutant with incoming UTP | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DNA (5'-D(*CP*GP*GP*CP*AP*TP*AP*CP*G)-3'), ... | Authors: | Moon, A.F, Pryor, J.M, Ramsden, D.A, Kunkel, T.A, Bebenek, K, Pedersen, L.C. | Deposit date: | 2017-05-27 | Release date: | 2017-07-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural accommodation of ribonucleotide incorporation by the DNA repair enzyme polymerase Mu. Nucleic Acids Res., 45, 2017
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