4KFB
 
 | | HIV-1 reverse transcriptase with bound fragment at NNRTI adjacent site | | Descriptor: | 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, P51 RT, ... | | Authors: | Bauman, J.D, Patel, D, Arnold, E. | | Deposit date: | 2013-04-26 | | Release date: | 2013-05-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.854 Å) | | Cite: | Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-Ray Crystallographic Fragment Screening.
J.Med.Chem., 56, 2013
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3RKD
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3ZGP
 | | NMR structure of the catalytic domain from E. faecium L,D- transpeptidase acylated by ertapenem | | Descriptor: | (4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, ERFK/YBIS/YCFS/YNHG | | Authors: | Lecoq, L, Triboulet, S, Dubee, V, Bougault, C, Hugonnet, J.E, Arthur, M, Simorre, J.P. | | Deposit date: | 2012-12-18 | | Release date: | 2013-04-24 | | Last modified: | 2024-11-06 | | Method: | SOLUTION NMR | | Cite: | The Structure of Enterococcus Faecium L,D---Transpeptidase Acylated by Ertapenem Provides Insight Into the Inactivation Mechanism.
Acs Chem.Biol., 8, 2013
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3QLH
 | | HIV-1 Reverse Transcriptase in Complex with Manicol at the RNase H Active Site and TMC278 (Rilpivirine) at the NNRTI Binding Pocket | | Descriptor: | (2S)-5,7-dihydroxy-9-methyl-2-(prop-1-en-2-yl)-1,2,3,4-tetrahydro-6H-benzo[7]annulen-6-one, 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ... | | Authors: | Himmel, D.M, Wojtak, K, Bauman, J.D, Arnold, E. | | Deposit date: | 2011-02-02 | | Release date: | 2011-12-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Synthesis, activity, and structural analysis of novel alpha-hydroxytropolone inhibitors of human immunodeficiency virus reverse transcriptase-associated ribonuclease H.
J.Med.Chem., 54, 2011
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2FEM
 | | Mutant R188M of the Cytidine Monophosphate Kinase From E. Coli | | Descriptor: | Cytidylate kinase | | Authors: | Ofiteru, A, Bucurenci, N, Alexov, E, Bertrand, T, Briozzo, P, Munier-Lehmann, H, Tourneux, L, Barzu, O, Gilles, A.M. | | Deposit date: | 2005-12-16 | | Release date: | 2006-01-10 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and functional consequences of single amino acid substitutions in the pyrimidine base binding pocket of Escherichia coli CMP kinase.
Febs J., 274, 2007
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2GNK
 | | GLNK, A SIGNAL PROTEIN FROM E. COLI | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, PROTEIN (NITROGEN REGULATORY PROTEIN) | | Authors: | Xu, Y, Cheah, E, Carr, P.D, van Heeswijk, W.C, Westerhoff, H.V, Vasudevan, S.G, Ollis, D.L. | | Deposit date: | 1998-07-14 | | Release date: | 1999-07-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | GlnK, a PII-homologue: structure reveals ATP binding site and indicates how the T-loops may be involved in molecular recognition.
J.Mol.Biol., 282, 1998
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2ALV
 | | X-ray structural analysis of SARS coronavirus 3CL proteinase in complex with designed anti-viral inhibitors | | Descriptor: | N-((3S,6R)-6-((S,E)-4-ETHOXYCARBONYL-1-((S)-2-OXOPYRROLIDIN-3-YL)BUT-3-EN-2-YLCARBAMOYL)-2,9-DIMETHYL-4-OXODEC-8-EN-3-YL)-5-METHYLISOXAZOLE-3-CARBOXAMIDE, Replicase polyprotein 1ab | | Authors: | Ghosh, A.K, Xi, K, Ratia, K, Santarsiero, B.D, Fu, W, Harcourt, B.H, Rota, P.A, Baker, S.C, Johnson, M.E, Mesecar, A.D. | | Deposit date: | 2005-08-08 | | Release date: | 2006-08-08 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Design and synthesis of peptidomimetic severe acute respiratory syndrome chymotrypsin-like protease inhibitors.
J.Med.Chem., 48, 2005
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3RV8
 | | Structure of a M. tuberculosis Salicylate Synthase, MbtI, in Complex with an Inhibitor with Cyclopropyl R-Group | | Descriptor: | 3-{[(E)-1-carboxy-2-cyclopropylethenyl]oxy}-2-hydroxybenzoic acid, 3-{[(Z)-1-carboxy-2-cyclopropylethenyl]oxy}-2-hydroxybenzoic acid, Isochorismate synthase/isochorismate-pyruvate lyase mbtI | | Authors: | Chi, G, Bulloch, E.M.M, Manos-Turvey, A, Payne, R.J, Lott, J.S, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2011-05-06 | | Release date: | 2012-05-09 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Implications of binding mode and active site flexibility for inhibitor potency against the salicylate synthase from Mycobacterium tuberculosis
Biochemistry, 51, 2012
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3RV6
 | | Structure of a M. tuberculosis Salicylate Synthase, MbtI, in Complex with an Inhibitor with Phenyl R-Group | | Descriptor: | 3-{[(E)-1-carboxy-2-phenylethenyl]oxy}-2-hydroxybenzoic acid, 3-{[(Z)-1-carboxy-2-phenylethenyl]oxy}-2-hydroxybenzoic acid, Isochorismate synthase/isochorismate-pyruvate lyase mbtI, ... | | Authors: | Chi, G, Bulloch, E.M.M, Manos-Turvey, A, Payne, R.J, Lott, J.S, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2011-05-06 | | Release date: | 2012-05-09 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Implications of binding mode and active site flexibility for inhibitor potency against the salicylate synthase from Mycobacterium tuberculosis
Biochemistry, 51, 2012
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3OSR
 | | Maltose-bound maltose sensor engineered by insertion of circularly permuted green fluorescent protein into E. coli maltose binding protein at position 311 | | Descriptor: | Maltose-binding periplasmic protein,Green fluorescent protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Echevarria, I.M, Marvin, J.S, Looger, L.L, Schreiter, E.R. | | Deposit date: | 2010-09-09 | | Release date: | 2011-10-26 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A genetically encoded, high-signal-to-noise maltose sensor.
Proteins, 79, 2011
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3OSQ
 | | Maltose-bound maltose sensor engineered by insertion of circularly permuted green fluorescent protein into E. coli maltose binding protein at position 175 | | Descriptor: | Maltose-binding periplasmic protein,Green fluorescent protein, SULFATE ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Echevarria, I.M, Marvin, J.S, Looger, L.L, Schreiter, E.R. | | Deposit date: | 2010-09-09 | | Release date: | 2011-10-26 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A genetically encoded, high-signal-to-noise maltose sensor.
Proteins, 79, 2011
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3PAA
 | | Mechanism of inactivation of E. coli aspartate aminotransferase by (S)-4-amino-4,5-dihydro-2-furancarboxylic acid (S-ADFA) pH 8.0 | | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-aminofuran-2-carboxylic acid, Aspartate aminotransferase, ... | | Authors: | Liu, D, Pozharski, E, Fu, M, Silverman, R.B, Ringe, D. | | Deposit date: | 2010-10-19 | | Release date: | 2010-12-01 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mechanism of inactivation of Escherichia coli aspartate aminotransferase by (S)-4-amino-4,5-dihydro-2-furancarboxylic acid .
Biochemistry, 49, 2010
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3QIP
 | | Structure of HIV-1 reverse transcriptase in complex with an RNase H inhibitor and nevirapine | | Descriptor: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, 5,6-dihydroxy-2-[(2-phenyl-1H-indol-3-yl)methyl]pyrimidine-4-carboxylic acid, CHLORIDE ION, ... | | Authors: | Lansdon, E.B, Kirschberg, T.A. | | Deposit date: | 2011-01-27 | | Release date: | 2011-04-20 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.0926 Å) | | Cite: | Structural and Binding Analysis of Pyrimidinol Carboxylic Acid and N-Hydroxy Quinazolinedione HIV-1 RNase H Inhibitors.
Antimicrob.Agents Chemother., 55, 2011
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3RKC
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3OEO
 | | The crystal structure E. coli Spy | | Descriptor: | CADMIUM ION, Spheroplast protein Y | | Authors: | Kwon, E, Kim, D.Y, Gross, C.A, Gross, J.D, Kim, K.K. | | Deposit date: | 2010-08-13 | | Release date: | 2010-09-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The crystal structure Escherichia coli Spy.
Protein Sci., 19, 2010
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3PA9
 | | Mechanism of inactivation of E. coli aspartate aminotransferase by (S)-4-amino-4,5-dihydro-2-furancarboxylic acid (S-ADFA) pH 7.5 | | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-aminofuran-2-carboxylic acid, Aspartate aminotransferase, ... | | Authors: | Liu, D, Pozharski, E, Fu, M, Silverman, R.B, Ringe, D. | | Deposit date: | 2010-10-19 | | Release date: | 2010-12-01 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Mechanism of inactivation of Escherichia coli aspartate aminotransferase by (S)-4-amino-4,5-dihydro-2-furancarboxylic acid .
Biochemistry, 49, 2010
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4JMX
 | | Structure of LD transpeptidase LdtMt1 in complex with imipenem | | Descriptor: | (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, Probable L,D-transpeptidase LdtA | | Authors: | Correale, S, Ruggiero, A, Capparelli, R, Pedone, E, Berisio, R. | | Deposit date: | 2013-03-14 | | Release date: | 2013-10-23 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structures of free and inhibited forms of the L,D-transpeptidase LdtMt1 from Mycobacterium tuberculosis.
Acta Crystallogr.,Sect.D, 69, 2013
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3QIN
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3PKX
 | | Crystal Structure of Toxoflavin Lyase (TflA) bound to Mn(II) and Toxoflavin | | Descriptor: | 1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione, MANGANESE (II) ION, Toxoflavin lyase (TflA) | | Authors: | Fenwick, M.K, Philmus, B, Begley, T.P, Ealick, S.E. | | Deposit date: | 2010-11-12 | | Release date: | 2011-01-12 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Toxoflavin lyase requires a novel 1-his-2-carboxylate facial triad .
Biochemistry, 50, 2011
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2NBS
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1KCE
 | | E. COLI THYMIDYLATE SYNTHASE MUTANT E58Q IN COMPLEX WITH CB3717 AND 2'-DEOXYURIDINE 5'-MONOPHOSPHATE (DUMP) | | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | | Authors: | Sage, C.R, Rutenber, E.E, Stout, T.J, Stroud, R.M. | | Deposit date: | 1996-10-22 | | Release date: | 1997-04-21 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | An essential role for water in an enzyme reaction mechanism: the crystal structure of the thymidylate synthase mutant E58Q.
Biochemistry, 35, 1996
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1KH5
 | | E. COLI ALKALINE PHOSPHATASE MUTANT (D330N) MIMIC OF THE TRANSITION STATES WITH ALUMINIUM FLUORIDE | | Descriptor: | ALKALINE PHOSPHATASE, ALUMINUM FLUORIDE, MAGNESIUM ION, ... | | Authors: | Le Du, M.H, Lamoure, C, Muller, B.H, Bulgakov, O.V, Lajeunesse, E. | | Deposit date: | 2001-11-29 | | Release date: | 2002-03-13 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Artificial evolution of an enzyme active site: structural studies of three highly active mutants of Escherichia coli alkaline phosphatase.
J.Mol.Biol., 316, 2002
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1KHJ
 | | E. COLI ALKALINE PHOSPHATASE MUTANT (D153HD330N) MIMIC OF THE TRANSITION STATES WITH ALUMINIUM FLUORIDE | | Descriptor: | ALUMINUM FLUORIDE, Alkaline phosphatase, ZINC ION | | Authors: | Le Du, M.H, Lamoure, C, Muller, B.H, Bulgakov, O.V, Lajeunesse, E, Menez, A, Boulain, J.C. | | Deposit date: | 2001-11-30 | | Release date: | 2002-03-13 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Artificial evolution of an enzyme active site: structural studies of three highly active mutants of Escherichia coli alkaline phosphatase.
J.Mol.Biol., 316, 2002
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3CIR
 | | E. coli Quinol fumarate reductase FrdA T234A mutation | | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Tomasiak, T.M, Maklashina, E, Cecchini, G, Iverson, T.M. | | Deposit date: | 2008-03-11 | | Release date: | 2008-04-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.65 Å) | | Cite: | A threonine on the active site loop controls transition state formation in Escherichia coli respiratory complex II.
J.Biol.Chem., 283, 2008
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3CW5
 | | E. coli Initiator tRNA | | Descriptor: | Initiator tRNA | | Authors: | Barraud, P, Schmitt, E, Mechulam, Y, Dardel, F, Tisne, C. | | Deposit date: | 2008-04-21 | | Release date: | 2008-09-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | A unique conformation of the anticodon stem-loop is associated with the capacity of tRNAfMet to initiate protein synthesis.
Nucleic Acids Res., 36, 2008
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