1HQU
 
 | | HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 | | Descriptor: | (S)-4-ISOPROPOXYCARBONYL-6-METHOXY-3-METHYLTHIOMETHYL-3,4-DIHYDROQUINOXALIN-2(1H)-THIONE, POL POLYPROTEIN | | Authors: | Hsiou, Y, Ding, J, Arnold, E. | | Deposit date: | 2000-12-19 | | Release date: | 2001-05-30 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The Lys103Asn mutation of HIV-1 RT: a novel mechanism of drug resistance.
J.Mol.Biol., 309, 2001
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1RXU
 | | E. coli uridine phosphorylase: thymidine phosphate complex | | Descriptor: | PHOSPHATE ION, POTASSIUM ION, THYMIDINE, ... | | Authors: | Caradoc-Davies, T.T, Cutfield, S.M, Lamont, I.L, Cutfield, J.F. | | Deposit date: | 2003-12-18 | | Release date: | 2004-04-13 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Crystal structures of escherichia coli uridine phosphorylase in two native and three complexed forms reveal basis of substrate specificity, induced conformational changes and influence of potassium
J.Mol.Biol., 337, 2004
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3E1H
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8C7K
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6GJP
 | | Cyclophilin A complexed with tri-vector ligand 7. | | Descriptor: | Peptidyl-prolyl cis-trans isomerase A, ethyl 2-[[(4-aminophenyl)methyl-(cyclopropylmethyl)carbamoyl]amino]ethanoate | | Authors: | Georgiou, C, De Simone, A, Walkinshaw, M.D, Michel, J. | | Deposit date: | 2018-05-16 | | Release date: | 2018-11-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors.
Chem Sci, 10, 2019
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2PU1
 | | Crystal Structure of the T. brucei enolase complexed with Fluoro-phosphonoacetohydroxamate (FPAH) | | Descriptor: | 1,2-ETHANEDIOL, Enolase, ZINC ION, ... | | Authors: | Navarro, M.V.A.S, Rigden, D.J, Garratt, R.C, Dias, S.M.G. | | Deposit date: | 2007-05-08 | | Release date: | 2007-11-20 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural flexibility in Trypanosoma brucei enolase revealed by X-ray crystallography and molecular dynamics.
Febs J., 274, 2007
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1ZIN
 | | ADENYLATE KINASE WITH BOUND AP5A | | Descriptor: | ADENYLATE KINASE, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, ZINC ION | | Authors: | Berry, M.B, Phillips Jr, G.N. | | Deposit date: | 1996-06-07 | | Release date: | 1997-06-16 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structures of Bacillus stearothermophilus adenylate kinase with bound Ap5A, Mg2+ Ap5A, and Mn2+ Ap5A reveal an intermediate lid position and six coordinate octahedral geometry for bound Mg2+ and Mn2+.
Proteins, 32, 1998
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1SNC
 | | THE CRYSTAL STRUCTURE OF THE TERNARY COMPLEX OF STAPHYLOCOCCAL NUCLEASE, CA2+, AND THE INHIBITOR PD*TP, REFINED AT 1.65 ANGSTROMS | | Descriptor: | CALCIUM ION, THERMONUCLEASE PRECURSOR, THYMIDINE-3',5'-DIPHOSPHATE | | Authors: | Loll, P.J, Lattman, E.E. | | Deposit date: | 1989-07-21 | | Release date: | 1990-10-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | The crystal structure of the ternary complex of staphylococcal nuclease, Ca2+, and the inhibitor pdTp, refined at 1.65 A.
Proteins, 5, 1989
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1ALJ
 | | ALKALINE PHOSPHATASE MUTANT (H412N) | | Descriptor: | ALKALINE PHOSPHATASE, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Ma, L, Tibbitts, T.T, Kantrowitz, E.R. | | Deposit date: | 1995-06-02 | | Release date: | 1995-11-14 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Escherichia coli alkaline phosphatase: X-ray structural studies of a mutant enzyme (His-412-->Asn) at one of the catalytically important zinc binding sites.
Protein Sci., 4, 1995
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1WNW
 | | D136N mutant of Heme Oxygenase from Corynebacterium diphtheriae (HmuO) | | Descriptor: | Heme oxygenase, IODIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Unno, M, Matsui, T, Ikeda-Saito, M. | | Deposit date: | 2004-08-10 | | Release date: | 2004-11-09 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Roles of Distal Asp in Heme Oxygenase from Corynebacterium diphtheriae, HmuO: A WATER-DRIVEN OXYGEN ACTIVATION MECHANISM
J.Biol.Chem., 280, 2005
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6GNU
 | | Crystal Structure of Leishmania major N-Myristoyltransferase (NMT) With Bound Myristoyl-CoA and a Quionlinyl aryl sulphonamide ligand | | Descriptor: | 4-[4-(1-methylpiperidin-4-yl)butyl]-~{N}-[6-(2-methylpropyl)quinolin-5-yl]benzenesulfonamide, Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA | | Authors: | Robinson, D.A, Harrison, J.R, Brand, S, Smith, V.C, Thompson, S, Smith, A, Davies, K, Mok, N.Y, Torrie, L.S, Collie, I, Hallyburton, I, Norval, S, Simeons, F.R.C, Stojanovski, L, Frearson, J.A, Brenk, R, Wyatt, P.G, Gilbert, I.H, Read, K.D. | | Deposit date: | 2018-05-31 | | Release date: | 2018-09-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | A Molecular Hybridization Approach for the Design of Potent, Highly Selective, and Brain-Penetrant N-Myristoyltransferase Inhibitors.
J. Med. Chem., 61, 2018
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1WKD
 | | TRNA-GUANINE TRANSGLYCOSYLASE | | Descriptor: | TRNA-GUANINE TRANSGLYCOSYLASE, ZINC ION | | Authors: | Romier, C, Reuter, K, Suck, D, Ficner, R. | | Deposit date: | 1996-08-06 | | Release date: | 1997-07-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Mutagenesis and crystallographic studies of Zymomonas mobilis tRNA-guanine transglycosylase reveal aspartate 102 as the active site nucleophile.
Biochemistry, 35, 1996
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1WKE
 | | TRNA-GUANINE TRANSGLYCOSYLASE | | Descriptor: | TRNA-GUANINE TRANSGLYCOSYLASE, ZINC ION | | Authors: | Romier, C, Reuter, K, Suck, D, Ficner, R. | | Deposit date: | 1996-08-06 | | Release date: | 1997-07-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Mutagenesis and crystallographic studies of Zymomonas mobilis tRNA-guanine transglycosylase reveal aspartate 102 as the active site nucleophile.
Biochemistry, 35, 1996
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2POV
 | | The crystal structure of the human carbonic anhydrase II in complex with 4-amino-6-chloro-benzene-1,3-disulfonamide | | Descriptor: | 4-AMINO-6-CHLOROBENZENE-1,3-DISULFONAMIDE, Carbonic anhydrase 2, ZINC ION | | Authors: | Alterio, V, De Simone, G. | | Deposit date: | 2007-04-27 | | Release date: | 2007-07-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Carbonic anhydrase inhibitors: Inhibition of human, bacterial, and archaeal isozymes with benzene-1,3-disulfonamides-Solution and crystallographic studies.
Bioorg.Med.Chem.Lett., 17, 2007
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1WKF
 | | TRNA-GUANINE TRANSGLYCOSYLASE | | Descriptor: | TRNA-GUANINE TRANSGLYCOSYLASE, ZINC ION | | Authors: | Romier, C, Reuter, K, Suck, D, Ficner, R. | | Deposit date: | 1996-08-06 | | Release date: | 1997-07-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Mutagenesis and crystallographic studies of Zymomonas mobilis tRNA-guanine transglycosylase reveal aspartate 102 as the active site nucleophile.
Biochemistry, 35, 1996
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6H7U
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1WSA
 | | STRUCTURE OF L-ASPARAGINASE II PRECURSOR | | Descriptor: | ASPARAGINE AMIDOHYDROLASE | | Authors: | Lubkowski, J, Palm, G.J, Gilliland, G.L, Derst, C, Rohm, K.-H, Wlodawer, A. | | Deposit date: | 1996-08-15 | | Release date: | 1997-04-01 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure and amino acid sequence of Wolinella succinogenes L-asparaginase.
Eur.J.Biochem., 241, 1996
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6QL3
 | | Crystal structure of chimeric carbonic anhydrase VI with 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide | | Descriptor: | 1,2-ETHANEDIOL, 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, BENZOIC ACID, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2019-01-31 | | Release date: | 2019-09-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Engineered Carbonic Anhydrase VI-Mimic Enzyme Switched the Structure and Affinities of Inhibitors.
Sci Rep, 9, 2019
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5I7R
 | | Mycobacterium tuberculosis CysM in complex with the Urea-scaffold inhibitor 2 [3-(3-([1,1'-biphenyl]-3-yl)ureido)benzoic acid] | | Descriptor: | 3-{[([1,1'-biphenyl]-3-yl)carbamoyl]amino}benzoic acid, ACETATE ION, O-phosphoserine sulfhydrylase, ... | | Authors: | Schnell, R, Maric, S, Schneider, G. | | Deposit date: | 2016-02-18 | | Release date: | 2016-08-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Inhibitors of the Cysteine Synthase CysM with Antibacterial Potency against Dormant Mycobacterium tuberculosis.
J.Med.Chem., 59, 2016
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1ETZ
 | | THE THREE-DIMENSIONAL STRUCTURE OF AN ANTI-SWEETENER FAB, NC10.14, SHOWS THE EXTENT OF STRUCTURAL DIVERSITY IN ANTIGEN RECOGNITION BY IMMUNOGLOBULINS | | Descriptor: | FAB NC10.14 - HEAVY CHAIN, FAB NC10.14 - LIGHT CHAIN, N-(P-CYANOPHENYL)-N'-DIPHENYLMETHYL-GUANIDINE-ACETIC ACID | | Authors: | Guddat, L.W, Shan, L, Broomell, C, Ramsland, P.A, Fan, Z, Anchin, J.M, Linthicum, D.S, Edmundson, A.B. | | Deposit date: | 2000-04-13 | | Release date: | 2000-10-18 | | Last modified: | 2017-10-04 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The three-dimensional structure of a complex of a murine Fab (NC10. 14) with a potent sweetener (NC174): an illustration of structural diversity in antigen recognition by immunoglobulins.
J.Mol.Biol., 302, 2000
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1SJH
 | | HLA-DR1 complexed with a 13 residue HIV capsid peptide | | Descriptor: | Enterotoxin type C-3, GAG polyprotein, HLA class II histocompatibility antigen, ... | | Authors: | Zavala-Ruiz, Z, Strug, I, Walker, B.D, Norris, P.J, Stern, L.J. | | Deposit date: | 2004-03-03 | | Release date: | 2004-08-17 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | A hairpin turn in a class II MHC-bound peptide orients residues outside the binding groove for T cell recognition.
Proc.Natl.Acad.Sci.Usa, 101, 2004
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1TOJ
 | | Hydrocinnamic acid-bound structure of SRHEPT mutant of E. coli aspartate aminotransferase | | Descriptor: | Aspartate aminotransferase, HYDROCINNAMIC ACID | | Authors: | Chow, M.A, McElroy, K.E, Corbett, K.D, Berger, J.M, Kirsch, J.F. | | Deposit date: | 2004-06-14 | | Release date: | 2004-10-05 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Narrowing substrate specificity in a directly evolved enzyme: the A293D mutant of aspartate aminotransferase
Biochemistry, 43, 2004
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6QL2
 | | Crystal structure of chimeric carbonic anhydrase VI with ethoxzolamide. | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-ethoxy-1,3-benzothiazole-2-sulfonamide, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2019-01-31 | | Release date: | 2019-09-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Engineered Carbonic Anhydrase VI-Mimic Enzyme Switched the Structure and Affinities of Inhibitors.
Sci Rep, 9, 2019
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2EZ7
 | | Carbonic anhydrase activators. Activation of isozymes I, II, IV, VA, VII and XIV with L- and D-histidine and crystallographic analysis of their adducts with isoform II: engineering proton transfer processes within the active site of an enzyme | | Descriptor: | Carbonic anhydrase 2, D-HISTIDINE, MERCURY (II) ION, ... | | Authors: | Temperini, C, Scozzafava, A, Vullo, D, Supuran, C.T. | | Deposit date: | 2005-11-10 | | Release date: | 2006-07-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Carbonic Anhydrase Activators. Activation of Isozymes I, II, IV, VA, VII, and XIV with L- and D-Histidine and Crystallographic Analysis of Their Adducts with Isoform II: Engineering Proton-Transfer Processes within the Active Site of an Enzyme.
Chemistry, 12, 2006
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1MO4
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