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2BUK
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BU of 2buk by Molmil
SATELLITE TOBACCO NECROSIS VIRUS
Descriptor: CALCIUM ION, COAT PROTEIN
Authors:Jones, T.A, Liljas, L.
Deposit date:2005-06-14
Release date:2005-08-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structure of Satellite Tobacco Necrosis Virus After Crystallographic Refinement at 2.5 A Resolution.
J.Mol.Biol., 177, 1984
8ADH
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BU of 8adh by Molmil
INTERDOMAIN MOTION IN LIVER ALCOHOL DEHYDROGENASE. STRUCTURAL AND ENERGETIC ANALYSIS OF THE HINGE BENDING MODE
Descriptor: APO-LIVER ALCOHOL DEHYDROGENASE, ZINC ION
Authors:Jones, T.A, Eklund, H.
Deposit date:1989-04-20
Release date:1989-10-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Interdomain motion in liver alcohol dehydrogenase. Structural and energetic analysis of the hinge bending mode.
J.Biol.Chem., 261, 1986
3CBH
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BU of 3cbh by Molmil
THREE-DIMENSIONAL STRUCTURE OF CELLOBIOHYDROLASE FROM TRICHODERMA REESEI
Descriptor: CELLOBIOHYDROLASE II CORE PROTEIN
Authors:Jones, T.A, Rouvinen, J.
Deposit date:1990-08-06
Release date:1991-01-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Three-dimensional structure of cellobiohydrolase II from Trichoderma reesei.
Science, 249, 1990
1RBP
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BU of 1rbp by Molmil
CRYSTALLOGRAPHIC REFINEMENT OF HUMAN SERUM RETINOL BINDING PROTEIN AT 2 ANGSTROMS RESOLUTION
Descriptor: PLASMA RETINOL-BINDING PROTEIN PRECURSOR, RETINOL
Authors:Jones, T.A, Newcomer, M.E, Cowan, S.W.
Deposit date:1990-04-02
Release date:1991-07-15
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic refinement of human serum retinol binding protein at 2A resolution.
Proteins, 8, 1990
7CEL
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BU of 7cel by Molmil
CBH1 (E217Q) IN COMPLEX WITH CELLOHEXAOSE AND CELLOBIOSE
Descriptor: 1,4-BETA-D-GLUCAN CELLOBIOHYDROLASE I, 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT (II) ION, ...
Authors:Divne, C, Stahlberg, J, Jones, T.A.
Deposit date:1997-09-24
Release date:1997-12-24
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:High-resolution crystal structures reveal how a cellulose chain is bound in the 50 A long tunnel of cellobiohydrolase I from Trichoderma reesei.
J.Mol.Biol., 275, 1998
5JMW
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BU of 5jmw by Molmil
Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, LC50 and manganese
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, ...
Authors:Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L.
Deposit date:2016-04-29
Release date:2016-08-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Targeting an Aromatic Hotspot in Plasmodium falciparum 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase with beta-Arylpropyl Analogues of Fosmidomycin.
Chemmedchem, 11, 2016
5JMP
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BU of 5jmp by Molmil
Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, LC57 and manganese
Descriptor: 1,2-ETHANEDIOL, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic, ...
Authors:Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L.
Deposit date:2016-04-29
Release date:2016-08-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Targeting an Aromatic Hotspot in Plasmodium falciparum 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase with beta-Arylpropyl Analogues of Fosmidomycin.
Chemmedchem, 11, 2016
6CEL
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BU of 6cel by Molmil
CBH1 (E212Q) CELLOPENTAOSE COMPLEX
Descriptor: 1,4-BETA-D-GLUCAN CELLOBIOHYDROLASE I, 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT (II) ION, ...
Authors:Divne, C, Stahlberg, J, Jones, T.A.
Deposit date:1997-09-24
Release date:1997-12-24
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:High-resolution crystal structures reveal how a cellulose chain is bound in the 50 A long tunnel of cellobiohydrolase I from Trichoderma reesei.
J.Mol.Biol., 275, 1998
5JBI
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BU of 5jbi by Molmil
Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, LC52 and manganese
Descriptor: 1,2-ETHANEDIOL, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic, ...
Authors:Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L.
Deposit date:2016-04-13
Release date:2016-08-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Targeting an Aromatic Hotspot in Plasmodium falciparum 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase with beta-Arylpropyl Analogues of Fosmidomycin.
Chemmedchem, 11, 2016
5JNL
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BU of 5jnl by Molmil
Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, LC54 and manganese
Descriptor: 1,2-ETHANEDIOL, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic, ...
Authors:Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L.
Deposit date:2016-04-30
Release date:2016-08-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Targeting an Aromatic Hotspot in Plasmodium falciparum 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase with beta-Arylpropyl Analogues of Fosmidomycin.
Chemmedchem, 11, 2016
5JO0
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BU of 5jo0 by Molmil
Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, LC56 and manganese
Descriptor: 1,2-ETHANEDIOL, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic, ...
Authors:Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L.
Deposit date:2016-05-01
Release date:2016-08-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Targeting an Aromatic Hotspot in Plasmodium falciparum 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase with beta-Arylpropyl Analogues of Fosmidomycin.
Chemmedchem, 11, 2016
5JC1
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BU of 5jc1 by Molmil
Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, LC55 and manganese
Descriptor: 1,2-ETHANEDIOL, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic, ...
Authors:Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L.
Deposit date:2016-04-14
Release date:2016-08-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Targeting an Aromatic Hotspot in Plasmodium falciparum 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase with beta-Arylpropyl Analogues of Fosmidomycin.
Chemmedchem, 11, 2016
5JAZ
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BU of 5jaz by Molmil
Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, LC51 and manganese
Descriptor: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic, FORMIC ACID, ...
Authors:Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L.
Deposit date:2016-04-12
Release date:2016-08-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Targeting an Aromatic Hotspot in Plasmodium falciparum 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase with beta-Arylpropyl Analogues of Fosmidomycin.
Chemmedchem, 11, 2016
2UU7
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BU of 2uu7 by Molmil
Crystal structure of apo glutamine synthetase from dog (Canis familiaris)
Descriptor: CHLORIDE ION, GLUTAMINE SYNTHETASE, MAGNESIUM ION
Authors:Krajewski, W.W, Jones, T.A, Mowbray, S.L.
Deposit date:2007-02-28
Release date:2007-10-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal Structures of Mammalian Glutamine Synthetases Illustrate Substrate-Induced Conformational Changes and Provide Opportunities for Drug and Herbicide Design.
J.Mol.Biol., 375, 2008
8S7F
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BU of 8s7f by Molmil
Crystal structure of Escherichia coli LpxH in complex with EBL-2805
Descriptor: MANGANESE (II) ION, N-[4-[4-[3,5-bis(chloranyl)phenyl]piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]benzamide, UDP-2,3-diacylglucosamine hydrolase
Authors:Sooriyaarachchi, S, Mowbray, S.L, Bergfors, T, Jones, T.A.
Deposit date:2024-03-01
Release date:2024-09-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Design, synthesis, and in vitro biological evaluation of meta-sulfonamidobenzamide-based antibacterial LpxH inhibitors.
Eur.J.Med.Chem., 278, 2024
9ENG
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BU of 9eng by Molmil
Structure of K.pneumoniae LpxH in complex with EBL-3218
Descriptor: MANGANESE (II) ION, UDP-2,3-diacylglucosamine hydrolase, ~{N}-[4-[4-[3,5-bis(chloranyl)phenyl]piperazin-1-yl]sulfonylphenyl]-3-(methylsulfonylamino)benzamide
Authors:Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L.
Deposit date:2024-03-12
Release date:2024-09-18
Last modified:2025-02-19
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Design, synthesis, and in vitro biological evaluation of meta-sulfonamidobenzamide-based antibacterial LpxH inhibitors.
Eur.J.Med.Chem., 278, 2024
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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BU of 4y67 by Molmil
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
2CHR
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BU of 2chr by Molmil
A RE-EVALUATION OF THE CRYSTAL STRUCTURE OF CHLOROMUCONATE CYCLOISOMERASE
Descriptor: CHLORIDE ION, CHLOROMUCONATE CYCLOISOMERASE, MANGANESE (II) ION
Authors:Kleywegt, G.J, Jones, T.A.
Deposit date:1995-02-24
Release date:1995-07-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:A re-evaluation of the crystal structure of chloromuconate cycloisomerase.
Acta Crystallogr.,Sect.D, 52, 1996
8QK2
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BU of 8qk2 by Molmil
Structure of K.pneumoniae LpxH in complex with EBL-3339
Descriptor: MANGANESE (II) ION, UDP-2,3-diacylglucosamine hydrolase, ~{N}-[4-[4-(4-cyano-6-methyl-pyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]benzamide
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 (1.95 Å)
Cite:Antibiotic class with potent in vivo activity targeting lipopolysaccharide synthesis in Gram-negative bacteria.
Proc.Natl.Acad.Sci.USA, 121, 2024
8QK5
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BU of 8qk5 by Molmil
Structure of K. pneumoniae LpxH in complex with EBL-3647
Descriptor: 5-[[3-(aminomethyl)azetidin-1-yl]methyl]-N-[4-[4-(4-cyano-6-methyl-pyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]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 (1.95 Å)
Cite:Antibiotic class with potent in vivo activity targeting lipopolysaccharide synthesis in Gram-negative bacteria.
Proc.Natl.Acad.Sci.USA, 121, 2024
8QJZ
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BU of 8qjz by Molmil
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
Last modified:2024-10-16
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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BU of 8qka by Molmil
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

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