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2WDQ
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BU of 2wdq by Molmil
E. coli succinate:quinone oxidoreductase (SQR) with carboxin bound
Descriptor: 2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-OXATHIINE-3-CARBOXAMIDE, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ...
Authors:Ruprecht, J, Yankovskaya, V, Maklashina, E, Iwata, S, Cecchini, G.
Deposit date:2009-03-25
Release date:2009-08-25
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of Escherichia coli succinate:quinone oxidoreductase with an occupied and empty quinone-binding site.
J. Biol. Chem., 284, 2009
3A8C
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BU of 3a8c by Molmil
Crystal Structure of Trypsin complexed with (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid (soaking with mixture of [(E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid] and [(E)-2-(4-carbamimidoylbenzylideneaminooxy)-2-methylpropanoic acid])
Descriptor: (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid, CALCIUM ION, Cationic trypsin
Authors:Yamane, J, Yao, M, Tanaka, I.
Deposit date:2009-10-05
Release date:2010-09-29
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:In-Crystal Chemical Ligation for Drug Discovery
To be Published
3LTH
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BU of 3lth by Molmil
E. cloacae MurA dead-end complex with UNAG and fosfomycin
Descriptor: UDP-N-acetylglucosamine 1-carboxyvinyltransferase, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE, [(1R)-1-hydroxypropyl]phosphonic acid
Authors:Schonbrunn, E.
Deposit date:2010-02-15
Release date:2010-05-05
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The fungal product terreic acid is a covalent inhibitor of the bacterial cell wall biosynthetic enzyme UDP-N-acetylglucosamine 1-carboxyvinyltransferase (MurA) .
Biochemistry, 49, 2010
8WA7
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BU of 8wa7 by Molmil
E.coli transketolase soaked with donor ketose D-fructose
Descriptor: 1,2-ETHANEDIOL, 2-[3-[(4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL]-2-(1,2-DIHYDROXYETHYL)-4-METHYL-1,3-THIAZOL-3-IUM-5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE, GLYCEROL, ...
Authors:Liu, Z, Dai, S, Tittmann, K.
Deposit date:2023-09-07
Release date:2024-01-24
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Multifaceted Role of the Substrate Phosphate Group in Transketolase Catalysis
Acs Catalysis, 14, 2024
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
7LBA
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BU of 7lba by Molmil
E. coli Agmatinase
Descriptor: Agmatinase, MANGANESE (II) ION
Authors:Chitrakar, I, Ahmed, S.F, Torelli, A.T, French, J.B.
Deposit date:2021-01-07
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the E. coli agmatinase, SPEB.
Plos One, 16, 2021
2WDV
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BU of 2wdv by Molmil
E. coli succinate:quinone oxidoreductase (SQR) with an empty quinone- binding pocket
Descriptor: FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Ruprecht, J, Yankovskaya, V, Maklashina, E, Iwata, S, Cecchini, G.
Deposit date:2009-03-26
Release date:2009-08-25
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure of Escherichia Coli Succinate:Quinone Oxidoreductase with an Occupied and Empty Quinone- Binding Site.
J.Biol.Chem., 284, 2009
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
2WDR
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BU of 2wdr by Molmil
E. coli succinate:quinone oxidoreductase (SQR) with pentachlorophenol bound
Descriptor: FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Ruprecht, J, Yankovskaya, V, Maklashina, E, Iwata, S, Cecchini, G.
Deposit date:2009-03-25
Release date:2009-08-25
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure of Escherichia Coli Succinate:Quinone Oxidoreductase with an Occupied and Empty Quinone- Binding Site.
J.Biol.Chem., 284, 2009
4IY7
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BU of 4iy7 by Molmil
crystal structure of cystathionine gamma lyase (XometC) from Xanthomonas oryzae pv. oryzae in complex with E-site serine, A-site external aldimine structure with serine and A-site external aldimine structure with aminoacrylate intermediates
Descriptor: (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, Cystathionine gamma-lyase-like protein, ...
Authors:Ngo, H.P.T, Kim, J.K, Kang, L.W.
Deposit date:2013-01-28
Release date:2014-01-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:PLP undergoes conformational changes during the course of an enzymatic reaction.
Acta Crystallogr.,Sect.D, 70, 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:2024-11-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Open-close transition of MurA
To be Published
2B76
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BU of 2b76 by Molmil
E. coli Quinol fumarate reductase FrdA E49Q mutation
Descriptor: CITRATE ANION, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ...
Authors:Maklashina, E, Iverson, T.M, Sher, Y, Kotlyar, V, Mirza, O, Andrell, J, Hudson, J.M, Armstrong, F.A, Cecchini, G.
Deposit date:2005-10-03
Release date:2006-02-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Fumarate Reductase and Succinate Oxidase Activity of Escherichia coli Complex II Homologs Are Perturbed Differently by Mutation of the Flavin Binding Domain
J.Biol.Chem., 281, 2006
1I2Z
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BU of 1i2z by Molmil
E. COLI ENOYL REDUCTASE IN COMPLEX WITH NAD AND BRL-12654
Descriptor: 4-(2-THIENYL)-1-(4-METHYLBENZYL)-1H-IMIDAZOLE, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Heerding, D.A, Miller, W.H, Payne, D.J, Janson, C.A, Qiu, X.
Deposit date:2001-02-12
Release date:2002-02-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:1,4-Disubstituted imidazoles are potential antibacterial agents functioning as inhibitors of enoyl acyl carrier protein reductase (FabI).
Bioorg.Med.Chem.Lett., 11, 2001
3SU9
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BU of 3su9 by Molmil
E. Cloacae MURA in complex with UDP-N-acetylmuramic acid and covalent adduct of PEP with Cys115
Descriptor: (2R)-2-{[(2R,3R,4R,5S,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}propanoic acid, 1,2-ETHANEDIOL, ACETATE ION, ...
Authors:Zhu, J.-Y, Yang, Y, Schonbrunn, E.
Deposit date:2011-07-11
Release date:2012-03-07
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Functional Consequence of Covalent Reaction of Phosphoenolpyruvate with UDP-N-acetylglucosamine 1-Carboxyvinyltransferase (MurA).
J.Biol.Chem., 287, 2012
3A7W
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BU of 3a7w by Molmil
Crystal Structure of Trypsin complexed with (E)-4-((tetrahydro-2H-pyran-2-yloxyimino)methyl)benzimidamide (soaking 4hours)
Descriptor: (E)-4-((tetrahydro-2H-pyran-2-yloxyimino)methyl)benzimidamide, CALCIUM ION, Cationic trypsin, ...
Authors:Yamane, J, Yao, M, Tanaka, I.
Deposit date:2009-10-05
Release date:2010-09-29
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:In-Crystal Chemical Ligation for Drug Discovery
To be Published
3A88
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BU of 3a88 by Molmil
Crystal Structure of Trypsin complexed with (E)-4-((2-nicotinoylhydrazono)methyl)benzimidamide (soaking 30 minutes)
Descriptor: (E)-4-((2-nicotinoylhydrazono)methyl)benzimidamide, CALCIUM ION, Cationic trypsin, ...
Authors:Yamane, J, Yao, M, Tanaka, I.
Deposit date:2009-10-05
Release date:2010-09-29
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:In-Crystal Chemical Ligation for Drug Discovery
To be Published
3A87
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BU of 3a87 by Molmil
Crystal Structure of Trypsin complexed with (E)-4-((2-nicotinoylhydrazono)methyl)benzimidamide (soaking 5 minutes)
Descriptor: (E)-4-((2-nicotinoylhydrazono)methyl)benzimidamide, CALCIUM ION, Cationic trypsin, ...
Authors:Yamane, J, Yao, M, Tanaka, I.
Deposit date:2009-10-05
Release date:2010-09-29
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:In-Crystal Chemical Ligation for Drug Discovery
To be Published
3A83
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BU of 3a83 by Molmil
Crystal Structure of Trypsin complexed with pre-synthesized (E)-4-((2-nicotinoylhydrazono)methyl)benzimidamide
Descriptor: (E)-4-((2-nicotinoylhydrazono)methyl)benzimidamide, CALCIUM ION, Cationic trypsin, ...
Authors:Yamane, J, Yao, M, Tanaka, I.
Deposit date:2009-10-05
Release date:2010-09-29
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:In-Crystal Chemical Ligation for Drug Discovery
To be Published
3A82
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BU of 3a82 by Molmil
Crystal Structure of Trypsin complexed with pre-synthesized (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid
Descriptor: (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid, CALCIUM ION, Cationic trypsin, ...
Authors:Yamane, J, Yao, M, Tanaka, I.
Deposit date:2009-10-05
Release date:2010-09-29
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:In-Crystal Chemical Ligation for Drug Discovery
To be Published
3A8D
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BU of 3a8d by Molmil
Crystal Structure of Trypsin complexed with (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid (under aniline-free condition)
Descriptor: (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid, CALCIUM ION, Cationic trypsin, ...
Authors:Yamane, J, Yao, M, Tanaka, I.
Deposit date:2009-10-05
Release date:2010-09-29
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:In-Crystal Chemical Ligation for Drug Discovery
To be Published
3A85
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BU of 3a85 by Molmil
Crystal Structure of Trypsin complexed with (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid (soaking 15 seconds)
Descriptor: (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid, CALCIUM ION, Cationic trypsin, ...
Authors:Yamane, J, Yao, M, Tanaka, I.
Deposit date:2009-10-05
Release date:2010-09-29
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:In-Crystal Chemical Ligation for Drug Discovery
To be Published
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:2024-10-23
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:In-Crystal Chemical Ligation for Drug Discovery
To be Published
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:2024-11-20
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
2J7L
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BU of 2j7l by Molmil
E. coli P Pilus chaperone PapD in complex with a pilus biogenesis inhibitor, pilicide 2c
Descriptor: (3R)-8-CYCLOPROPYL-6-(MORPHOLIN-4-YLMETHYL)-7-(1-NAPHTHYLMETHYL)-5-OXO-2,3-DIHYDRO-5H-[1,3]THIAZOLO[3,2-A]PYRIDINE-3-CARBOXYLIC ACID, CHAPERONE PROTEIN PAPD
Authors:Remaut, H, Pinkner, J.S, Hultgren, S.J, Almqvist, F, Waksman, G.
Deposit date:2006-10-12
Release date:2006-11-01
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Rationally Designed Small Compounds Inhibit Pilus Biogenesis in Uropathogenic Bacteria.
Proc.Natl.Acad.Sci.USA, 103, 2006
3UPK
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BU of 3upk by Molmil
E. cloacae MURA in complex with UNAG
Descriptor: 1,2-ETHANEDIOL, TRIETHYLENE GLYCOL, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, ...
Authors:Zhu, J.-Y, Yang, Y, Schonbrunn, E.
Deposit date:2011-11-18
Release date:2012-03-07
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Functional Consequence of Covalent Reaction of Phosphoenolpyruvate with UDP-N-acetylglucosamine 1-Carboxyvinyltransferase (MurA).
J.Biol.Chem., 287, 2012

238582

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