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7SAN
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BU of 7san by Molmil
Crystal structure of human hypoxanthine guanine phosphoribzosyltransferase in complex with (4S,7S)-7-hydroxy-4-((guanin-9-yl)methyl)-2,5-dioxaheptan-1,7-diphosphonate
Descriptor: ({(2S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2S)-2-hydroxy-2-phosphonoethoxy]propoxy}methyl)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase
Authors:Guddat, L.W, Keough, D.T.
Deposit date:2021-09-22
Release date:2022-05-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.58155513 Å)
Cite:Stereo-Defined Acyclic Nucleoside Phosphonates are Selective and Potent Inhibitors of Parasite 6-Oxopurine Phosphoribosyltransferases.
J.Med.Chem., 65, 2022
7STQ
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BU of 7stq by Molmil
Crystal structure of arabidopsis thaliana acetohydroxyacid synthase W574L mutant in complex with chlorimuron-ethyl
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-[[[[(4-CHLORO-6-METHOXY-2-PYRIMIDINYL)AMINO]CARBONYL]AMINO]SULFONYL]BENZOIC ACID ETHYL ESTER, 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, ...
Authors:Guddat, L.W, Cheng, Y.
Deposit date:2021-11-15
Release date:2022-06-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural basis of resistance to herbicides that target acetohydroxyacid synthase.
Nat Commun, 13, 2022
8TPY
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BU of 8tpy by Molmil
Structure of human hypoxanthine guanine phosphoribzosyltransferase in complex with [2S,4R] 4-Guanin-9-yl-2-hydroxymethyl-1-N-(3-phosphonopropionyl)pyrrolidine
Descriptor: Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, {3-[(2S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl}phosphonic acid
Authors:Guddat, L.W.
Deposit date:2023-08-06
Release date:2024-05-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Development of Prolinol Containing Inhibitors of Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferase: Rational Structure-Based Drug Design.
J.Med.Chem., 67, 2024
8TR1
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BU of 8tr1 by Molmil
Crystal structure of trypanosome brucei hypoxanthine guanine phosphopribosyltransferase in complex with [2S,4R]-4-Guanin-9-yl-2-(2- phosphonoethoxymethyl)-1-N-(3-phosphonopropionyl)pyrrolidine
Descriptor: (3-{(2S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2-phosphonoethoxy)methyl]pyrrolidin-1-yl}-3-oxopropyl)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase
Authors:Guddat, L.W.
Deposit date:2023-08-09
Release date:2024-05-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Development of Prolinol Containing Inhibitors of Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferase: Rational Structure-Based Drug Design.
J.Med.Chem., 67, 2024
7KL7
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BU of 7kl7 by Molmil
Helicobacter pylori Xanthine-Guanine-Hypoxanthine Phosphoribosyltransferase
Descriptor: Phosphoribosyltransferase, SULFATE ION
Authors:Guddat, L.W, Keough, D.T.
Deposit date:2020-10-29
Release date:2021-05-05
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Helicobacter pylori Xanthine-Guanine-Hypoxanthine Phosphoribosyltransferase-A Putative Target for Drug Discovery against Gastrointestinal Tract Infections.
J.Med.Chem., 64, 2021
7KL6
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BU of 7kl6 by Molmil
Helicobacter pylori Xanthine-Guanine-Hypoxanthine Phosphoribosyltransferase
Descriptor: (3-{[(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}propyl)phosphonic acid, Phosphoribosyltransferase, SULFATE ION
Authors:Guddat, L.W, Keough, D.T.
Deposit date:2020-10-29
Release date:2021-05-05
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Helicobacter pylori Xanthine-Guanine-Hypoxanthine Phosphoribosyltransferase-A Putative Target for Drug Discovery against Gastrointestinal Tract Infections.
J.Med.Chem., 64, 2021
7LAT
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BU of 7lat by Molmil
Campylobacter jejuni keto-acid reductoisomerase in complex with Mg2+
Descriptor: Ketol-acid reductoisomerase, MAGNESIUM ION
Authors:Guddat, L.W.
Deposit date:2021-01-06
Release date:2022-01-12
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Mapping of the Reaction Trajectory catalyzed by Class I Ketol-Acid Reductoisomerase
Acs Catalysis, 2024
1A2J
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BU of 1a2j by Molmil
OXIDIZED DSBA CRYSTAL FORM II
Descriptor: DISULFIDE BOND FORMATION PROTEIN
Authors:Martin, J.L, Guddat, L.W.
Deposit date:1998-01-06
Release date:1998-09-16
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of reduced and oxidized DsbA: investigation of domain motion and thiolate stabilization.
Structure, 6, 1998
1A2M
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BU of 1a2m by Molmil
OXIDIZED DSBA AT 2.7 ANGSTROMS RESOLUTION, CRYSTAL FORM III
Descriptor: DISULFIDE BOND FORMATION PROTEIN
Authors:Martin, J.L, Guddat, L.W.
Deposit date:1998-01-06
Release date:1998-07-08
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structures of reduced and oxidized DsbA: investigation of domain motion and thiolate stabilization.
Structure, 6, 1998
1A2L
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BU of 1a2l by Molmil
REDUCED DSBA AT 2.7 ANGSTROMS RESOLUTION
Descriptor: DISULFIDE BOND FORMATION PROTEIN
Authors:Martin, J.L, Guddat, L.W.
Deposit date:1998-01-06
Release date:1998-07-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structures of reduced and oxidized DsbA: investigation of domain motion and thiolate stabilization.
Structure, 6, 1998
8TPV
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BU of 8tpv by Molmil
Structure of human hypoxanthine guanine phosphoribzosyltransferase in complex with [2S,4R]-4-Guanin-9-yl-2-(2-phosphonoethoxymethyl)-1-N-(3-phosphonopropionyl)pyrrolidine
Descriptor: (3-{(2S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2-phosphonoethoxy)methyl]pyrrolidin-1-yl}-3-oxopropyl)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION
Authors:Guddat, L.W.
Deposit date:2023-08-05
Release date:2024-05-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Development of Prolinol Containing Inhibitors of Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferase: Rational Structure-Based Drug Design.
J.Med.Chem., 67, 2024
3UIR
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BU of 3uir by Molmil
Crystal structure of the plasmin-textilinin-1 complex
Descriptor: Plasmin light chain B, SULFATE ION, Textilinin-1
Authors:Guddat, L.W, Millers, E.K, de jersey, J, Lavin, M.F, Masci, P.M.
Deposit date:2011-11-05
Release date:2012-12-26
Last modified:2013-07-17
Method:X-RAY DIFFRACTION (2.777 Å)
Cite:The structure of human microplasmin in complex with textilinin-1, an aprotinin-like inhibitor from the Australian brown snake.
Plos One, 8, 2013
3V9M
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BU of 3v9m by Molmil
Phospholipase ACII4 from Australian King Brown Snake
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Guddat, L.W, Millers, E.K.
Deposit date:2011-12-27
Release date:2013-02-13
Method:X-RAY DIFFRACTION (1.563 Å)
Cite:Mechanistic studies on the anticoagulant activity of a phospholipase A2 from the venom of the Australian King Brown Snake (Pseudechis australis)
To be Published
7U1D
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BU of 7u1d by Molmil
Crystal structure of arabidopsis thaliana acetohydroxyacid synthase P197T mutant in complex with chlorimuron-ethyl
Descriptor: (3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL TRIHYDROGEN DIPHOSPHATE, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-[[[[(4-CHLORO-6-METHOXY-2-PYRIMIDINYL)AMINO]CARBONYL]AMINO]SULFONYL]BENZOIC ACID ETHYL ESTER, ...
Authors:Guddat, L.W, Cheng, Y.
Deposit date:2022-02-21
Release date:2022-06-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Structural basis of resistance to herbicides that target acetohydroxyacid synthase.
Nat Commun, 13, 2022
7U1U
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BU of 7u1u by Molmil
Crystal structure of arabidopsis thaliana acetohydroxyacid synthase W574L mutant
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Acetolactate synthase, chloroplastic, ...
Authors:Guddat, L.W, Cheng, Y.
Deposit date:2022-02-22
Release date:2022-06-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.22 Å)
Cite:Structural basis of resistance to herbicides that target acetohydroxyacid synthase.
Nat Commun, 13, 2022
7U25
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BU of 7u25 by Molmil
Crystal structure of arabidopsis thaliana acetohydroxyacid synthase W574L mutant in complex with bispyribac-sodium
Descriptor: 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, ...
Authors:Guddat, L.W, Cheng, Y.
Deposit date:2022-02-23
Release date:2022-06-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Structural basis of resistance to herbicides that target acetohydroxyacid synthase.
Nat Commun, 13, 2022
7TZZ
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BU of 7tzz by Molmil
Crystal structure of arabidopsis thaliana acetohydroxyacid synthase P197T mutant in complex with bispyribac-sodium
Descriptor: 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid, 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-[(1~{S})-1-(dioxidanyl)-1-oxidanyl-ethyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ...
Authors:Guddat, L.W, Cheng, Y.
Deposit date:2022-02-16
Release date:2022-06-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Structural basis of resistance to herbicides that target acetohydroxyacid synthase.
Nat Commun, 13, 2022
1FVJ
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BU of 1fvj by Molmil
THE 2.06 ANGSTROM STRUCTURE OF THE H32Y MUTANT OF THE DISULFIDE BOND FORMATION PROTEIN (DSBA)
Descriptor: DISULFIDE BOND FORMATION PROTEIN
Authors:Martin, J.L, Guddat, L.W.
Deposit date:1996-08-28
Release date:1997-05-15
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Structural analysis of three His32 mutants of DsbA: support for an electrostatic role of His32 in DsbA stability.
Protein Sci., 6, 1997
1FVK
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BU of 1fvk by Molmil
THE 1.7 ANGSTROM STRUCTURE OF WILD TYPE DISULFIDE BOND FORMATION PROTEIN (DSBA)
Descriptor: DISULFIDE BOND FORMATION PROTEIN
Authors:Martin, J.L, Guddat, L.W.
Deposit date:1996-08-28
Release date:1997-08-20
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural analysis of three His32 mutants of DsbA: support for an electrostatic role of His32 in DsbA stability.
Protein Sci., 6, 1997
4IJQ
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BU of 4ijq by Molmil
Human hypoxanthine-guanine phosphoribosyltransferase in complex with [(2-((Guanine-9H-yl)methyl)propane-1,3-diyl)bis(oxy)]bis(methylene))diphosphonic acid
Descriptor: Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, SULFATE ION, ...
Authors:Guddat, L.W, Keough, D.T, Hockova, D.
Deposit date:2012-12-22
Release date:2013-03-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.004 Å)
Cite:Acyclic nucleoside phosphonates containing a second phosphonate group are potent inhibitors of 6-oxopurine phosphoribosyltransferases and have antimalarial activity
J.Med.Chem., 56, 2013
5W8V
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BU of 5w8v by Molmil
HUMAN HGPRT in complex with [(2-[(guanin-9-yl)methyl]propane-1,3-diyl)bis(oxy)]bis(methylene)diphosphonic acid
Descriptor: Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, {[(2R)-2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methyl]-3-(2-phosphonoethoxy)propoxy]methyl}phosphonic acid
Authors:Guddat, L.W, Keough, D.T.
Deposit date:2017-06-22
Release date:2017-08-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.346 Å)
Cite:Synthesis and Evaluation of Asymmetric Acyclic Nucleoside Bisphosphonates as Inhibitors of Plasmodium falciparum and Human Hypoxanthine-Guanine-(Xanthine) Phosphoribosyltransferase.
J. Med. Chem., 60, 2017
3EA4
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BU of 3ea4 by Molmil
Arabidopsis thaliana acetohydroxyacid synthase in complex with monosulfuron-ester
Descriptor: 2-[(2E)-3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-HYDROXYETHYLIDENE)-4-METHYL-2,3-DIHYDRO-1,3-THIAZOL-5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Acetolactate synthase, ...
Authors:Guddat, L.W, Wang, J.-G, Li, Z.-M.
Deposit date:2008-08-24
Release date:2009-03-31
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structures of two novel sulfonylurea herbicides in complex with Arabidopsis thaliana acetohydroxyacid synthase.
Febs J., 276, 2009
3E9Y
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BU of 3e9y by Molmil
Arabidopsis thaliana acetohydroxyacid synthase in complex with monosulfuron
Descriptor: 2-[(2E)-3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-HYDROXYETHYLIDENE)-4-METHYL-2,3-DIHYDRO-1,3-THIAZOL-5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Acetolactate synthase, ...
Authors:Guddat, L.W, Duggleby, R.G, Wang, J.-G, Li, Z.-M.
Deposit date:2008-08-24
Release date:2009-03-31
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structures of two novel sulfonylurea herbicides in complex with Arabidopsis thaliana acetohydroxyacid synthase.
Febs J., 276, 2009
3FR7
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BU of 3fr7 by Molmil
ketol-acid reductoisomerase (KARI) in complex with Mg2+
Descriptor: MAGNESIUM ION, Putative ketol-acid reductoisomerase (Os05g0573700 protein)
Authors:Guddat, L.W, Leung, E.W.W.
Deposit date:2009-01-08
Release date:2009-04-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Conformational changes in a plant ketol-acid reductoisomerase upon Mg(2+) and NADPH binding as revealed by two crystal structures
J.Mol.Biol., 389, 2009
3GEP
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BU of 3gep by Molmil
Human hypoxanthine guanine phosphoribosyltranserfase in complex with (S)-9-(3-hydroxy-2-phosphonylmethoxypropyl)guanine
Descriptor: Hypoxanthine-guanine phosphoribosyltransferase, {[(1S)-2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1-(hydroxymethyl)ethoxy]methyl}phosphonic acid
Authors:Guddat, L.W, Keough, D.T, Jersey, J.
Deposit date:2009-02-25
Release date:2009-08-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Inhibition of hypoxanthine-guanine phosphoribosyltransferase by acyclic nucleoside phosphonates: a new class of antimalarial therapeutics.
J.Med.Chem., 52, 2009

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