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: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A genetically encoded, high-signal-to-noise maltose sensor.
Proteins, 79, 2011
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3TIZ
 | | CDK2 in complex with NSC 111848 | | Descriptor: | 1,2-ETHANEDIOL, 1-{(E)-[(4-hydroxyphenyl)imino]methyl}naphthalen-2-ol, Cyclin-dependent kinase 2 | | Authors: | Alam, R, Schonbrunn, E. | | Deposit date: | 2011-08-22 | | Release date: | 2012-08-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | A Novel Approach to the Discovery of Small-Molecule Ligands of CDK2.
Chembiochem, 13, 2012
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3RKC
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3ZG4
 | | NMR structure of the catalytic domain from E. faecium L,D- transpeptidase | | Descriptor: | ERFK/YBIS/YCFS/YNHG | | Authors: | Lecoq, L, Dubee, V, Triboulet, S, Bougault, C, Hugonnet, J.E, Arthur, M, Simorre, J.P. | | Deposit date: | 2012-12-14 | | Release date: | 2013-04-24 | | Last modified: | 2024-06-19 | | 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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4EZ3
 | | CDK2 in complex with NSC 134199 | | Descriptor: | 1,2-ETHANEDIOL, 4-[(E)-(6-hydroxy-2-oxo-1,2-dihydropyridin-3-yl)diazenyl]benzenesulfonamide, Cyclin-dependent kinase 2 | | Authors: | Alam, R, Martin, M, Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2012-05-02 | | Release date: | 2012-08-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A Novel Approach to the Discovery of Small-Molecule Ligands of CDK2.
Chembiochem, 13, 2012
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3FUG
 | | Crystal Structure of the Retinoid X Receptor Ligand Binding Domain Bound to the Synthetic Agonist 3-[4-Hydroxy-3-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-phenyl]acrylic Acid | | Descriptor: | (2E)-3-[4-hydroxy-3-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]prop-2-enoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | | Authors: | Bourguet, W. | | Deposit date: | 2009-01-14 | | Release date: | 2009-05-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Modulating retinoid X receptor with a series of (E)-3-[4-hydroxy-3-(3-alkoxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]acrylic acids and their 4-alkoxy isomers.
J.Med.Chem., 52, 2009
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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-carboxylic 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 | | 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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1MUG
 | | G:T/U MISMATCH-SPECIFIC DNA GLYCOSYLASE FROM E.COLI | | Descriptor: | PROTEIN (G:T/U SPECIFIC DNA GLYCOSYLASE), SULFATE ION | | Authors: | Barrett, T.E, Savva, R, Panayotou, G, Brown, T, Barlow, T, Jiricny, J, Pearl, L.H. | | Deposit date: | 1998-07-10 | | Release date: | 1998-07-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of a G:T/U mismatch-specific DNA glycosylase: mismatch recognition by complementary-strand interactions.
Cell(Cambridge,Mass.), 92, 1998
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4QMT
 | | MST3 in complex with HESPERADIN | | Descriptor: | 1,2-ETHANEDIOL, N-[2-OXO-3-((E)-PHENYL{[4-(PIPERIDIN-1-YLMETHYL)PHENYL]IMINO}METHYL)-2,6-DIHYDRO-1H-INDOL-5-YL]ETHANESULFONAMIDE, Serine/threonine-protein kinase 24 | | Authors: | Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2014-06-16 | | Release date: | 2015-07-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3).
Chemmedchem, 11, 2016
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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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7OE0
 | | E. coli pre-30S delta rbfA ribosomal subunit class F | | Descriptor: | 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | | Authors: | Maksimova, E, Korepanov, A, Baymukhametov, T, Kravchenko, O, Stolboushkina, E. | | Deposit date: | 2021-04-30 | | Release date: | 2021-07-14 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (2.69 Å) | | Cite: | RbfA Is Involved in Two Important Stages of 30S Subunit Assembly: Formation of the Central Pseudoknot and Docking of Helix 44 to the Decoding Center.
Int J Mol Sci, 22, 2021
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8CCV
 | | E. coli NfsB mutant T41LN71S with nicotinate | | Descriptor: | FLAVIN MONONUCLEOTIDE, NICOTINIC ACID, Oxygen-insensitive NAD(P)H nitroreductase | | Authors: | Day, M.A, White, S.A, Hyde, E.I, Searle, P.F. | | Deposit date: | 2023-01-27 | | Release date: | 2023-04-19 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure and Dynamics of Three Escherichia coli NfsB Nitro-Reductase Mutants Selected for Enhanced Activity with the Cancer Prodrug CB1954.
Int J Mol Sci, 24, 2023
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8C5F
 | | E. coli NfsB-T41Q/N71S/F124T mutant bound to acetate | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, FLAVIN MONONUCLEOTIDE, ... | | Authors: | White, S.A, Hyde, E.I, Day, M.A. | | Deposit date: | 2023-01-07 | | Release date: | 2023-04-19 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure and Dynamics of Three Escherichia coli NfsB Nitro-Reductase Mutants Selected for Enhanced Activity with the Cancer Prodrug CB1954.
Int J Mol Sci, 24, 2023
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8C5P
 | | E. coli NfsB mutant N71S T41L with acetate | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Day, M.A, White, S.A, Hyde, E.I. | | Deposit date: | 2023-01-10 | | Release date: | 2023-04-19 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Structure and Dynamics of Three Escherichia coli NfsB Nitro-Reductase Mutants Selected for Enhanced Activity with the Cancer Prodrug CB1954.
Int J Mol Sci, 24, 2023
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8CJ0
 | | E. coli NfsB-T41Q/N71S/F124T/M127V mutant bound to nicotinate | | Descriptor: | 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, NICOTINIC ACID, ... | | Authors: | White, S.A, Hyde, E.I, Day, M.A. | | Deposit date: | 2023-02-11 | | Release date: | 2023-04-19 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Structure and Dynamics of Three Escherichia coli NfsB Nitro-Reductase Mutants Selected for Enhanced Activity with the Cancer Prodrug CB1954.
Int J Mol Sci, 24, 2023
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8C5E
 | | E. coli NfsB-T41Q/N71S/F124T mutant bound to nicotinic acid | | Descriptor: | 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, NICOTINIC ACID, ... | | Authors: | White, S.A, Hyde, E.I, Day, M.A. | | Deposit date: | 2023-01-06 | | Release date: | 2023-04-19 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structure and Dynamics of Three Escherichia coli NfsB Nitro-Reductase Mutants Selected for Enhanced Activity with the Cancer Prodrug CB1954.
Int J Mol Sci, 24, 2023
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1QFG
 | | E. COLI FERRIC HYDROXAMATE RECEPTOR (FHUA) | | Descriptor: | 3-HYDROXY-TETRADECANOIC ACID, DECYLAMINE-N,N-DIMETHYL-N-OXIDE, DIPHOSPHATE, ... | | Authors: | Ferguson, A.D, Welte, W, Hofmann, E, Lindner, B, Holst, O, Coulton, J.W, Diederichs, K. | | Deposit date: | 1999-04-10 | | Release date: | 2000-07-26 | | Last modified: | 2022-12-21 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A conserved structural motif for lipopolysaccharide recognition by procaryotic and eucaryotic proteins.
Structure Fold.Des., 8, 2000
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6PQV
 | | E. coli ATP Synthase State 1e | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | | Authors: | Stewart, A.G, Sobti, M, Walshe, J.L. | | Deposit date: | 2019-07-10 | | Release date: | 2020-06-03 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Cryo-EM structures provide insight into how E. coli F1FoATP synthase accommodates symmetry mismatch.
Nat Commun, 11, 2020
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4DUV
 | | E. coli (lacZ) beta-galactosidase (G974A) 2-deoxy-galactosyl-enzyme and bis-Tris complex | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-deoxy-alpha-D-galactopyranose, Beta-galactosidase, ... | | Authors: | Wheatley, R.W, Lo, S, Janzcewicz, L.J, Dugdale, M.L, Huber, R.E. | | Deposit date: | 2012-02-22 | | Release date: | 2013-04-03 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Glucose Acceptor site of lacZ beta-galactosidase for the synthesis of allolactose - the natural inducer of the lac operon
To be Published
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6VWK
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6P9S
 | | E.coli LpxA in complex with UDP-3-O-(R-3-hydroxymyristoyl)-GlcNAc and Compound 7 | | Descriptor: | Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, DIMETHYL SULFOXIDE, PHOSPHATE ION, ... | | Authors: | Ma, X, Shia, S, Ornelas, E. | | Deposit date: | 2019-06-10 | | Release date: | 2020-03-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Two Distinct Mechanisms of Inhibition of LpxA Acyltransferase Essential for Lipopolysaccharide Biosynthesis.
J.Am.Chem.Soc., 142, 2020
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6P9Q
 | | E.coli LpxA in complex with UDP-3-O-(R-3-hydroxymyristoyl)-GlcNAc and Compound 2 | | Descriptor: | Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, DIMETHYL SULFOXIDE, PHOSPHATE ION, ... | | Authors: | Ma, X, Shia, S, Ornelas, E. | | Deposit date: | 2019-06-10 | | Release date: | 2020-03-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Two Distinct Mechanisms of Inhibition of LpxA Acyltransferase Essential for Lipopolysaccharide Biosynthesis.
J.Am.Chem.Soc., 142, 2020
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4DUW
 | | E. coli (lacZ) beta-galactosidase (G974A) in complex with allolactose | | Descriptor: | Beta-galactosidase, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | | Authors: | Wheatley, R.W, Lo, S, Janzcewicz, L.J, Dugdale, M.L, Huber, R.E. | | Deposit date: | 2012-02-22 | | Release date: | 2013-03-20 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Explanation for Allolactose (lac operon inducer) Synthesis by lacZ
beta-Galactosidase and the Evolutionary Relationship between Allolactose
synthesis and the lac Repressor
J.Biol.Chem., 288, 2013
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4MUY
 | | IspH in complex with pyridin-4-ylmethyl diphosphate | | Descriptor: | 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, FE3-S4 CLUSTER, pyridin-4-ylmethyl trihydrogen diphosphate | | Authors: | Span, I, Wang, K, Song, Y, Eisenreich, W, Bacher, A, Oldfield, E, Groll, M. | | Deposit date: | 2013-09-23 | | Release date: | 2014-06-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Insights into the Binding of Pyridines to the Iron-Sulfur Enzyme IspH.
J.Am.Chem.Soc., 136, 2014
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