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PDB: 111 results

8QJZ
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Crystal structure of E. coli LpxH in complex with lipid X
Descriptor: (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, MANGANESE (II) ION, UDP-2,3-diacylglucosamine hydrolase
Authors:Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L.
Deposit date:2023-09-14
Release date:2024-04-17
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Antibiotic class with potent in vivo activity targeting lipopolysaccharide synthesis in Gram-negative bacteria.
Proc.Natl.Acad.Sci.USA, 121, 2024
8QKA
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Structure of K. pneumoniae LpxH in complex with JEDI-852
Descriptor: 2-[methyl(methylsulfonyl)amino]-~{N}-(4-piperidin-1-ylsulfonylphenyl)benzamide, MANGANESE (II) ION, UDP-2,3-diacylglucosamine hydrolase
Authors:Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L.
Deposit date:2023-09-14
Release date:2024-04-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Antibiotic class with potent in vivo activity targeting lipopolysaccharide synthesis in Gram-negative bacteria.
Proc.Natl.Acad.Sci.USA, 121, 2024
1Z3W
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Structure of Phanerochaete chrysosporium cellobiohydrolase Cel7D (CBH58) in complex with cellobioimidazole
Descriptor: (5R,6R,7R,8S)-7,8-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl beta-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, cellulase
Authors:Ubhayasekera, W, Vasella, A, Stahlberg, J, Mowbray, S.L.
Deposit date:2005-03-14
Release date:2005-04-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structures of Phanerochaete chrysosporium Cel7D in complex with product and inhibitors
Febs J., 272, 2005
1Z3T
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Structure of Phanerochaete chrysosporium cellobiohydrolase Cel7D (CBH58) in complex with cellobiose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, cellulase
Authors:Ubhayasekera, W, Stahlberg, J, Mowbray, S.L.
Deposit date:2005-03-14
Release date:2005-04-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structures of Phanerochaete chrysosporium Cel7D in complex with product and inhibitors
Febs J., 272, 2005
1Z3V
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Structure of Phanerochaete chrysosporium cellobiohydrolase Cel7D (CBH58) in complex with lactose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, cellulase
Authors:Ubhayasekera, W, Munoz, I.G, Stahlberg, J, Mowbray, S.L.
Deposit date:2005-03-14
Release date:2005-04-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Structures of Phanerochaete chrysosporium Cel7D in complex with product and inhibitors
Febs J., 272, 2005
3CXU
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Structure of a Y149F mutant of epoxide hydrolase from Solanum tuberosum
Descriptor: Epoxide hydrolase, TETRAETHYLENE GLYCOL
Authors:Naworyta, A, Mowbray, S.L, Widersten, M, Thomaeus, A.
Deposit date:2008-04-25
Release date:2008-07-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Removal of distal protein-water hydrogen bonds in a plant epoxide hydrolase increases catalytic turnover but decreases thermostability
Protein Sci., 17, 2008
1GQT
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Activation of Ribokinase by Monovalent Cations
Descriptor: CESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, RIBOKINASE, ...
Authors:Andersson, C.E, Mowbray, S.L.
Deposit date:2001-12-05
Release date:2002-01-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Activation of Ribokinase by Monovalent Cations.
J.Mol.Biol., 315, 2002
4ACF
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CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS GLUTAMINE SYNTHETASE IN COMPLEX WITH IMIDAZOPYRIDINE INHIBITOR ((4-(6-BROMO-3-(BUTYLAMINO)IMIDAZO(1,2-A)PYRIDIN-2-YL)PHENOXY) ACETIC ACID) AND L-METHIONINE-S-SULFOXIMINE PHOSPHATE.
Descriptor: CHLORIDE ION, GLUTAMINE SYNTHETASE 1, L-METHIONINE-S-SULFOXIMINE PHOSPHATE, ...
Authors:Nilsson, M.T, Mowbray, S.L.
Deposit date:2011-12-15
Release date:2012-10-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Synthesis, Biological Evaluation and X-Ray Crystallographic Studies of Imidazo(1,2-A)Pyridine-Based Mycobacterium Tuberculosis Glutamine Synthetase Inhibitors
Medchemcomm, 3, 2012
3ZXV
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Crystal structure of Mycobacterium Tuberculosis Glutamine Synthetase in complex with tri-substituted imidazole inhibitor (4-(2-tert-butyl- 4-(6-methoxynaphthalen-2-yl)-1H-imidazol-5-yl)pyridin-2-amine) and L- methionine-S-sulfoximine phosphate
Descriptor: 4-(2-TERT-BUTYL-4-(6-METHOXYNAPHTHALEN-2-YL)-3H-IMIDAZOL-4-YL)PYRIDIN-2-AMINE, CHLORIDE ION, GLUTAMINE SYNTHETASE 1, ...
Authors:Nilsson, M.T, Mowbray, S.L.
Deposit date:2011-08-16
Release date:2012-04-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Trisubstituted Imidazoles as Mycobacterium Tuberculosis Glutamine Synthetase Inhibitors.
J.Med.Chem., 55, 2012
3ZXR
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Crystal structure of Mycobacterium Tuberculosis Glutamine Synthetase in complex with tri-substituted imidazole inhibitor (3-(2-tert-butyl- 5-(pyridin-4-yl)-1H-imidazol-4-yl)quinoline) and L-methionine-S- sulfoximine phosphate.
Descriptor: 3-(2-TERT-BUTYL-5-(PYRIDIN-4-YL)-1H-IMIDAZOL-4-YL)QUINOLINE, CHLORIDE ION, GLUTAMINE SYNTHETASE 1, ...
Authors:Nilsson, M.T, Mowbray, S.L.
Deposit date:2011-08-15
Release date:2012-04-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Trisubstituted Imidazoles as Mycobacterium Tuberculosis Glutamine Synthetase Inhibitors.
J.Med.Chem., 55, 2012
4Y6R
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BU of 4y6r by Molmil
Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, RC137, and manganese
Descriptor: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, CHLORIDE ION, ...
Authors:Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L.
Deposit date:2015-02-13
Release date:2015-04-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Synthesis and Bioactivity of beta-Substituted Fosmidomycin Analogues Targeting 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase.
J.Med.Chem., 58, 2015
4Y6S
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BU of 4y6s by Molmil
Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, RC134, and manganese
Descriptor: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, MANGANESE (II) ION, ...
Authors:Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L.
Deposit date:2015-02-13
Release date:2015-04-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Synthesis and Bioactivity of beta-Substituted Fosmidomycin Analogues Targeting 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase.
J.Med.Chem., 58, 2015
4Y67
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Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, RC176, and manganese
Descriptor: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, MANGANESE (II) ION, ...
Authors:Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L.
Deposit date:2015-02-12
Release date:2015-04-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Synthesis and Bioactivity of beta-Substituted Fosmidomycin Analogues Targeting 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase.
J.Med.Chem., 58, 2015
4Y6P
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BU of 4y6p by Molmil
Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, RC177, and manganese
Descriptor: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, CALCIUM ION, ...
Authors:Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L.
Deposit date:2015-02-13
Release date:2015-04-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Synthesis and Bioactivity of beta-Substituted Fosmidomycin Analogues Targeting 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase.
J.Med.Chem., 58, 2015
3CAI
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BU of 3cai by Molmil
Crystal structure of Mycobacterium tuberculosis Rv3778c protein
Descriptor: POSSIBLE AMINOTRANSFERASE
Authors:Covarrubias, A.S, Larsson, A.M, Jones, T.A, Bergfors, T, Mowbray, S.L, Unge, T.
Deposit date:2008-02-20
Release date:2008-03-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure and biochemical function studies of Mycobacterium tuberculosis essential protein Rv3778c
To be published
4Y9S
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BU of 4y9s by Molmil
structure of an H300N mutant of potato epoxide hydrolase, StEH1
Descriptor: Epoxide hydrolase
Authors:Naworyta, A, Mowbray, S.L, Widersten, M.
Deposit date:2015-02-17
Release date:2015-09-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Expanding the Catalytic Triad in Epoxide Hydrolases and Related Enzymes.
ACS Catal, 5, 2015
2Z39
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Crystal structure of Brassica juncea chitinase catalytic module Glu234Ala mutant (Bjchi3-E234A)
Descriptor: CHLORIDE ION, Chitinase
Authors:Ubhayasekera, W, Bergfors, T, Mowbray, S.L.
Deposit date:2007-06-02
Release date:2007-06-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structures of a family 19 chitinase from Brassica juncea show flexibility of binding cleft loops
Febs J., 274, 2007
2Z37
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Crystal structure of Brassica juncea chitinase catalytic module (Bjchi3)
Descriptor: Chitinase
Authors:Ubhayasekera, W, Berglund, G, Bergfors, T, Mowbray, S.L.
Deposit date:2007-06-02
Release date:2007-06-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Crystal structures of a family 19 chitinase from Brassica juncea show flexibility of binding cleft loops
Febs J., 274, 2007
2Z38
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Crystal structure of chloride bound Brassica juncea chitinase catalytic module (Bjchi3)
Descriptor: CHLORIDE ION, Chitinase
Authors:Ubhayasekera, W, Bergfors, T, Mowbray, S.L.
Deposit date:2007-06-02
Release date:2007-06-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of a family 19 chitinase from Brassica juncea show flexibility of binding cleft loops
Febs J., 274, 2007
3G02
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Structure of enantioselective mutant of epoxide hydrolase from Aspergillus niger generated by directed evolution
Descriptor: Epoxide hydrolase, FORMIC ACID
Authors:Naworyta, A, Mowbray, S.L.
Deposit date:2009-01-27
Release date:2009-06-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Directed evolution of an enantioselective epoxide hydrolase: uncovering the source of enantioselectivity at each evolutionary stage
J.Am.Chem.Soc., 131, 2009
3G0I
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BU of 3g0i by Molmil
Complex of Aspergillus niger epoxide hydrolase with valpromide (2-propylpentanamide)
Descriptor: 2-PROPYLPENTANAMIDE, Epoxide hydrolase
Authors:Zou, J, Mowbray, S.L.
Deposit date:2009-01-28
Release date:2009-06-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Directed evolution of an enantioselective epoxide hydrolase: uncovering the source of enantioselectivity at each evolutionary stage
J.Am.Chem.Soc., 131, 2009
2BES
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BU of 2bes by Molmil
Structure of Mycobacterium tuberculosis Ribose-5-Phosphate Isomerase, RpiB, Rv2465c, in complex with 4-phospho-D-erythronohydroxamic acid.
Descriptor: 4-PHOSPHO-D-ERYTHRONOHYDROXAMIC ACID, CARBOHYDRATE-PHOSPHATE ISOMERASE
Authors:Roos, A.K, Ericsson, D.J, Mowbray, S.L.
Deposit date:2004-11-30
Release date:2004-12-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Competitive Inhibitors of Mycobacterium Tuberculosis Ribose-5-Phosphate Isomerase B Reveal New Information About the Reaction Mechanism.
J.Biol.Chem., 280, 2005
3K7P
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BU of 3k7p by Molmil
Structure of mutant of ribose 5-phosphate isomerase type B from Trypanosoma cruzi.
Descriptor: PHOSPHATE ION, Ribose 5-phosphate isomerase
Authors:Naworyta, A, Mowbray, S.L, Stern, A.L.
Deposit date:2009-10-13
Release date:2010-10-27
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structures of type B ribose 5-phosphate isomerase from Trypanosoma cruzi shed light on the determinants of sugar specificity in the structural family.
Febs J., 278, 2011
2BET
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BU of 2bet by Molmil
Structure of Mycobacterium tuberculosis Ribose-5-Phosphate Isomerase, RpiB, Rv2465c, in complex with 4-phospho-D-erythronate.
Descriptor: 4-PHOSPHO-D-ERYTHRONATE, CARBOHYDRATE-PHOSPHATE ISOMERASE
Authors:Roos, A.K, Ericsson, D.J, Mowbray, S.L.
Deposit date:2004-11-30
Release date:2004-12-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Competitive Inhibitors of Mycobacterium Tuberculosis Ribose-5-Phosphate Isomerase B Reveal New Information About the Reaction Mechanism
J.Biol.Chem., 280, 2005
3K7O
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Structure of type B ribose 5-phosphate isomerase from Trypanosoma cruzi
Descriptor: Ribose 5-phosphate isomerase
Authors:Naworyta, A, Mowbray, S.L, Stern, A.L.
Deposit date:2009-10-13
Release date:2010-10-27
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of type B ribose 5-phosphate isomerase from Trypanosoma cruzi shed light on the determinants of sugar specificity in the structural family.
Febs J., 278, 2011

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