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4DUW
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BU of 4duw by Molmil
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
4MUY
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BU of 4muy by Molmil
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
1UAA
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BU of 1uaa by Molmil
E. COLI REP HELICASE/DNA COMPLEX
Descriptor: DNA (5'-D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), PROTEIN (ATP-DEPENDENT DNA HELICASE REP.)
Authors:Korolev, S, Waksman, G.
Deposit date:1997-06-30
Release date:1998-07-09
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:Major domain swiveling revealed by the crystal structures of complexes of E. coli Rep helicase bound to single-stranded DNA and ADP.
Cell(Cambridge,Mass.), 90, 1997
4E7D
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BU of 4e7d by Molmil
E. cloacae MurA in complex with UDP
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, ...
Authors:Zhu, J.-Y, Yang, Y, Schonbrunn, E.
Deposit date:2012-03-16
Release date:2013-03-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Open-close transition of MurA
To be Published
4E7G
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BU of 4e7g by Molmil
E. cloacae C115D/R120A MurA in the unliganded state
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Zhu, J.-Y, Yang, Y, Schonbrunn, E.
Deposit date:2012-03-16
Release date:2013-03-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Open-close transition of MurA
To be Published
4DUX
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BU of 4dux by Molmil
E. coli (lacZ) beta-galactosidase (N460S) in complex with L-ribose
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 (2.3 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
4BCW
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BU of 4bcw by Molmil
Carbonic anhydrase IX mimic in complex with (E)-2-(5-bromo-2- hydroxyphenyl)ethenesulfonic acid
Descriptor: (E)-2-(5-BROMO-2-HYDROXYPHENYL)ETHENESULFONIC ACID, CARBONIC ANHYDRASE 2, ZINC ION
Authors:Tars, K, Leitans, J, Kazaks, A.
Deposit date:2012-10-03
Release date:2013-02-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Sulfocoumarins (1,2-Benzoxathiine-2,2-Dioxides): A Class of Potent and Isoform-Selective Inhibitors of Tumor-Associated Carbonic Anhydrases.
J.Med.Chem., 56, 2013
4E7F
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BU of 4e7f by Molmil
E. cloacae C115D MurA in complex with UDP
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, ...
Authors:Zhu, J.-Y, Betzi, S, Yang, Y, Schonbrunn, E.
Deposit date:2012-03-16
Release date:2013-03-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Open-close transition of MurA
To be Published
4E7B
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BU of 4e7b by Molmil
E. cloacae MurA in complex with UDP-glucose
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, ...
Authors:Zhu, J.-Y, Yang, Y, Schonbrunn, E.
Deposit date:2012-03-16
Release date:2013-03-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Open-close transition of MurA
To be Published
4MUX
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BU of 4mux by Molmil
IspH in complex with pyridin-3-ylmethyl diphosphate
Descriptor: 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER, pyridin-3-ylmethyl trihydrogen diphosphate
Authors:Span, I, Eisenreich, W, Bacher, A, Oldfield, E, Groll, M.
Deposit date:2013-09-23
Release date:2014-06-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Insights into the Binding of Pyridines to the Iron-Sulfur Enzyme IspH.
J.Am.Chem.Soc., 136, 2014
4E7E
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BU of 4e7e by Molmil
E. cloacae C115D MurA in complex with UDP-glucose
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, ...
Authors:Zhu, J.-Y, Yang, Y, Schonbrunn, E.
Deposit date:2012-03-16
Release date:2013-03-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Open-close transition of MurA
To be Published
4MV5
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BU of 4mv5 by Molmil
IspH in complex with 6-chloropyridin-3-ylmethyl diphosphate
Descriptor: (6-chloropyridin-3-yl)methyl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, FE3-S4 CLUSTER
Authors:Span, I, Wang, K, Song, Y, Eisenreich, W, Bacher, A, Oldfield, E, Groll, M.
Deposit date:2013-09-23
Release date:2014-06-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Insights into the Binding of Pyridines to the Iron-Sulfur Enzyme IspH.
J.Am.Chem.Soc., 136, 2014
4E7C
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BU of 4e7c by Molmil
E. cloacae MurA in complex with UTP
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, ...
Authors:Zhu, J.-Y, Yang, Y, Schonbrunn, E.
Deposit date:2012-03-16
Release date:2013-03-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Open-close transition of MurA
To be Published
4MV0
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BU of 4mv0 by Molmil
IspH in complex with pyridin-2-ylmethyl diphosphate
Descriptor: 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, FE3-S4 CLUSTER, pyridin-2-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 (1.9 Å)
Cite:Insights into the Binding of Pyridines to the Iron-Sulfur Enzyme IspH.
J.Am.Chem.Soc., 136, 2014
5RA4
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BU of 5ra4 by Molmil
PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N11337a in complex with MAP kinase p38-alpha
Descriptor: (~{E})-1-(4-chlorophenyl)-~{N}-(pyridin-3-ylmethyl)ethanimine, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:De Nicola, G.F, Nichols, C.E.
Deposit date:2020-03-04
Release date:2020-07-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
3A80
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BU of 3a80 by Molmil
Crystal Structure of Trypsin complexed with (E)-2-(4-carbamimidoylbenzylideneaminooxy)-2-methylpropanoic acid (soaking 40seconds)
Descriptor: (E)-2-(4-carbamimidoylbenzylideneaminooxy)-2-methylpropanoic acid, CALCIUM ION, Cationic trypsin
Authors:Yamane, J, Yao, M, Tanaka, I.
Deposit date:2009-10-05
Release date:2010-09-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:In-Crystal Chemical Ligation for Drug Discovery
To be Published
1K2V
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BU of 1k2v by Molmil
E. COLI PERIPLASMIC PROTEIN FHUD COMPLEXED WITH DESFERAL
Descriptor: DEFEROXAMINE MESYLATE FE(III) COMPLEX, Ferrichrome-binding periplasmic protein
Authors:Clarke, T.E, Braun, V, Winkelmann, G, Tari, L.W, Vogel, H.J.
Deposit date:2001-09-29
Release date:2002-04-17
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:X-ray crystallographic structures of the Escherichia coli periplasmic protein FhuD bound to hydroxamate-type siderophores and the antibiotic albomycin.
J.Biol.Chem., 277, 2002
1LN4
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BU of 1ln4 by Molmil
CRYSTAL STRUCTURE OF E. COLI YHBY
Descriptor: Hypothetical protein yhbY
Authors:Ostheimer, G.J, Barkan, A, Matthews, B.W.
Deposit date:2002-05-02
Release date:2002-05-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of E. coli YhbY: a representative of a novel class of RNA binding proteins
Structure, 10, 2002
3CW5
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BU of 3cw5 by Molmil
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
8JZJ
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BU of 8jzj by Molmil
E.coli Glyceraldehyde-3-phosphate dehydrogenase structure under cryoprotect condition of ammonium sulfate
Descriptor: Glyceraldehyde-3-phosphate dehydrogenase, SULFATE ION
Authors:Jang, K, Hlaing, S.H.S, Kim, H.G, Kim, N, Choe, H.W, Kim, Y.J.
Deposit date:2023-07-05
Release date:2024-02-14
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:E.coli Glyceraldehyde-3-phosphate dehydrogenase structure under cryoprotect condition of ammonium sulfate
To Be Published
1S98
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BU of 1s98 by Molmil
E.coli IscA crystal structure to 2.3 A
Descriptor: Protein yfhF
Authors:Cupp-Vickery, J.R, Silberg, J.J, Ta, D.T, Vickery, L.E.
Deposit date:2004-02-03
Release date:2004-06-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of IscA, an iron-sulfur cluster assembly protein from Escherichia coli.
J.Mol.Biol., 338, 2004
4Q65
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BU of 4q65 by Molmil
Structure of the E. coli Peptide Transporter YbgH
Descriptor: Dipeptide permease D
Authors:Zhang, C, Zhao, Y, Mao, G, Liu, M, Wang, X.
Deposit date:2014-04-21
Release date:2014-08-13
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Crystal structure of the E. coli peptide transporter YbgH.
Structure, 22, 2014
6SLB
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BU of 6slb by Molmil
Crystal structure of isomerase PaaG with trans-3,4-didehydroadipyl-CoA
Descriptor: (~{E})-6-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-6-oxidanylidene-hex-3-enoic acid, Enoyl-CoA hydratase/carnithine racemase
Authors:Saleem-Batcha, R, Spieker, M, Teufel, R.
Deposit date:2019-08-19
Release date:2019-12-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structural and Mechanistic Basis of an Oxepin-CoA Forming Isomerase in Bacterial Primary and Secondary Metabolism.
Acs Chem.Biol., 14, 2019
3SWA
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BU of 3swa by Molmil
E. Cloacae MurA R120A complex with UNAG and covalent adduct of PEP with CYS115
Descriptor: 1,2-ETHANEDIOL, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE
Authors:Han, H, Zhu, J.-Y, Schonbrunn, E.
Deposit date:2011-07-13
Release date:2012-03-07
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Functional Consequence of Covalent Reaction of Phosphoenolpyruvate with UDP-N-acetylglucosamine 1-Carboxyvinyltransferase (MurA).
J.Biol.Chem., 287, 2012
3SWI
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BU of 3swi by Molmil
E. Cloacae MurA in complex with Enolpyruvyl-UDP-N-acetylgalactosamine and covalent adduct of PEP with CYS115
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, 2-{[(2R,3R,4R,5R,6R)-3-(acetylamino)-2-{[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}prop-2-enoic acid, MAGNESIUM ION, ...
Authors:Zhu, J.-Y, Yang, Y, Schonbrunn, E.
Deposit date:2011-07-13
Release date:2012-03-07
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Functional Consequence of Covalent Reaction of Phosphoenolpyruvate with UDP-N-acetylglucosamine 1-Carboxyvinyltransferase (MurA).
J.Biol.Chem., 287, 2012

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