4RHT
 
 | | Crystal structures of Mycobacterium tuberculosis 6-oxopurine phosphoribosyltransferase which is a potential target for drug development against this disease | | Descriptor: | GUANOSINE-5'-MONOPHOSPHATE, Hypoxanthine-guanine phosphoribosyltransferase Hpt, MAGNESIUM ION, ... | | Authors: | Eng, W.S, Hockova, D, Spacek, P, West, N.P, Woods, K, Naesens, L.M.J, Keough, D.T, Guddat, L.W. | | Deposit date: | 2014-10-03 | | Release date: | 2015-05-20 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.7633 Å) | | Cite: | First Crystal Structures of Mycobacterium tuberculosis 6-Oxopurine Phosphoribosyltransferase: Complexes with GMP and Pyrophosphate and with Acyclic Nucleoside Phosphonates Whose Prodrugs Have Antituberculosis Activity.
J.Med.Chem., 58, 2015
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4RHY
 | | Crystal structures of Mycobacterium tuberculosis 6-oxopurine phosphoribosyltransferase which is a potential target for drug development against this disease | | Descriptor: | Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, [2-({2-[bis(2-phosphonoethyl)amino]ethyl}[2-(6-oxo-3,6-dihydro-9H-purin-9-yl)ethyl]amino)ethyl]phosphonic acid | | Authors: | Eng, W.S, Hockova, D, Spacek, P, West, N.P, Woods, K, Naesens, L.M.J, Keough, D.T, Guddat, L.W. | | Deposit date: | 2014-10-03 | | Release date: | 2015-05-20 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3196 Å) | | Cite: | First Crystal Structures of Mycobacterium tuberculosis 6-Oxopurine Phosphoribosyltransferase: Complexes with GMP and Pyrophosphate and with Acyclic Nucleoside Phosphonates Whose Prodrugs Have Antituberculosis Activity.
J.Med.Chem., 58, 2015
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4RHX
 | | Structures of Mycobacterium tuberculosis 6-oxopurine phosphoribosyltransferase which is a potential target for drug development against this disease | | Descriptor: | Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, [2-([2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl]{2-[(2-oxoethyl)(2-phosphonoethyl)amino]ethyl}amino)ethyl]phosphonic acid | | Authors: | Eng, W.S, Hockova, D, Spacek, P, West, N.P, Woods, K, Naesens, L.M.J, Keough, D.T, Guddat, L.W. | | Deposit date: | 2014-10-03 | | Release date: | 2015-05-20 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.0322 Å) | | Cite: | First Crystal Structures of Mycobacterium tuberculosis 6-Oxopurine Phosphoribosyltransferase: Complexes with GMP and Pyrophosphate and with Acyclic Nucleoside Phosphonates Whose Prodrugs Have Antituberculosis Activity.
J.Med.Chem., 58, 2015
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4RHU
 | | Crystal structures of Mycobacterium tuberculosis 6-oxopurine phosphoribosyltransferase which is a potential target for drug development against this disease | | Descriptor: | Hypoxanthine-guanine phosphoribosyltransferase Hpt, MAGNESIUM ION, {[(2R)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)propane-1,2-diyl]bis(oxyethane-2,1-diyl)}bis(phosphonic acid), ... | | Authors: | Eng, W.S, Hockova, D, Spacek, P, West, N.P, Woods, K, Naesens, L.M.J, Keough, D.T, Guddat, L.W. | | Deposit date: | 2014-10-03 | | Release date: | 2015-05-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.573 Å) | | Cite: | First Crystal Structures of Mycobacterium tuberculosis 6-Oxopurine Phosphoribosyltransferase: Complexes with GMP and Pyrophosphate and with Acyclic Nucleoside Phosphonates Whose Prodrugs Have Antituberculosis Activity.
J.Med.Chem., 58, 2015
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4RAB
 | | Aza-acyclic nucleoside phosphonates containing a second phosphonate group as inhibitors of the human, Plasmodium falciparum and vivax 6-oxopurine phosphoribosyltransferases and their pro-drugs as antimalarial agents | | Descriptor: | Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Keough, D.T, Hockov, D, Janeba, Z, Wang, T.-H, Naesens, L, Edstein, M.D, Chavchich, M, Guddat, L.W. | | Deposit date: | 2014-09-10 | | Release date: | 2015-01-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.264 Å) | | Cite: | Aza-acyclic Nucleoside Phosphonates Containing a Second Phosphonate Group As Inhibitors of the Human, Plasmodium falciparum and vivax 6-Oxopurine Phosphoribosyltransferases and Their Prodrugs As Antimalarial Agents.
J.Med.Chem., 58, 2015
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4RAC
 | | Aza-acyclic nucleoside phosphonates containing a second phosphonate group as inhibitors of the human, Plasmodium falciparum and vivax 6-oxopurine phosphoribosyltransferases and their pro-drugs as antimalarial agents | | Descriptor: | Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, [(2-{[2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl][(E)-2-phosphonoethenyl]amino}ethoxy)methyl]phosphonic acid | | Authors: | Keough, D.T, Hockova, D, Janeba, Z, Wang, T.-H, Naesens, L, Edstein, M.D, Chavchich, M, Guddat, L.W. | | Deposit date: | 2014-09-10 | | Release date: | 2015-01-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Aza-acyclic Nucleoside Phosphonates Containing a Second Phosphonate Group As Inhibitors of the Human, Plasmodium falciparum and vivax 6-Oxopurine Phosphoribosyltransferases and Their Prodrugs As Antimalarial Agents.
J.Med.Chem., 58, 2015
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4RAO
 | | Aza-acyclic nucleoside phosphonates containing a second phosphonate group as inhibitors of the human, Plasmodium falciparum and vivax 6-oxopurine phosphoribosyltransferases and their pro-drugs as antimalarial agents | | Descriptor: | (2-{[2-(6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl](2-{[(E)-2-phosphonoethenyl]oxy}ethyl)amino}ethyl)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION | | Authors: | Keough, D.T, Hockova, D, Janeba, Z, Wang, T.-H, Naesens, L, Edstein, M.D, Chavchich, M, Guddat, L.W. | | Deposit date: | 2014-09-10 | | Release date: | 2015-01-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.871 Å) | | Cite: | Aza-acyclic Nucleoside Phosphonates Containing a Second Phosphonate Group As Inhibitors of the Human, Plasmodium falciparum and vivax 6-Oxopurine Phosphoribosyltransferases and Their Prodrugs As Antimalarial Agents.
J.Med.Chem., 58, 2015
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5K6T
 | | Crystal structure of Arabidopsis thaliana acetohydroxyacid synthase in complex with a sulfonylamino-carbonyl-triazolinone herbicide, propoxycarbazone-sodium | | Descriptor: | 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, Acetolactate synthase, ... | | Authors: | Garcia, M.D, Lonhienne, T, Guddat, L.W. | | Deposit date: | 2016-05-25 | | Release date: | 2017-02-08 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.763 Å) | | Cite: | Comprehensive understanding of acetohydroxyacid synthase inhibition by different herbicide families.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5K2O
 | | Crystal structure of Arabidopsis thaliana acetohydroxyacid synthase in complex with a pyrimidinyl-benzoate herbicide, pyrithiobac | | Descriptor: | (3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL TRIHYDROGEN DIPHOSPHATE, 2-chloranyl-6-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-benzoic acid, Acetolactate synthase, ... | | Authors: | Garcia, M.D, Lonhienne, T, Guddat, L.W. | | Deposit date: | 2016-05-19 | | Release date: | 2017-02-08 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.873 Å) | | Cite: | Comprehensive understanding of acetohydroxyacid synthase inhibition by different herbicide families.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5K3S
 | | Crystal structure of Arabidopsis thaliana acetohydroxyacid synthase in complex with a pyrimidinyl-benzoate herbicide, bispyribac-sodium | | Descriptor: | (3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL TRIHYDROGEN DIPHOSPHATE, 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid, Acetolactate synthase, ... | | Authors: | Garcia, M.D, Lonhienne, T, Guddat, L.W. | | Deposit date: | 2016-05-19 | | Release date: | 2017-02-08 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.873 Å) | | Cite: | Comprehensive understanding of acetohydroxyacid synthase inhibition by different herbicide families.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5KNQ
 | | Crystal structure of Mycobacterium tuberculosis hypoxanthine guanine phosphoribosyltransferase in complex with [3S,4R]-(4-(Guanin-9-yl)pyrrolidin-3-yl)oxymethanephosphonic acid and pyrophosphate | | Descriptor: | Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, PYROPHOSPHATE 2-, ... | | Authors: | Eng, W.S, Rejman, D, Keough, D.T, Guddat, L.W. | | Deposit date: | 2016-06-28 | | Release date: | 2017-09-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.553 Å) | | Cite: | Crystal structure of Mycobacterium tuberculosis hypoxanthine guanine phosphoribosyltransferase in complex with pyrrolidine nucleoside phosphonate
To Be Published
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5KNY
 | | Crystal structure of Mycobacterium tuberculosis hypoxanthine guanine phosphoribosyltransferase in complex with (3-((3R,4R)-3-(Guanin-9-yl)-4-((S)-2-hydroxy-2-phosphonoethoxy)pyrrolidin-1-yl)-3-oxopropyl)phosphonic acid | | Descriptor: | Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, [3-[(3~{R},4~{R})-3-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-[(2~{S})-2-oxidanyl-2-phosphono-ethoxy]pyrrolidin-1-y l]-3-oxidanylidene-propyl]phosphonic acid | | Authors: | Eng, W.S, Rejman, D, Keough, D.T, Guddat, L.W. | | Deposit date: | 2016-06-28 | | Release date: | 2017-09-20 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | Crystal structure of Mycobacterium tuberculosis hypoxanthine guanine phosphoribosyltransferase in complex with pyrrolidine nucleoside phosphonate
To Be Published
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5KNX
 | | Crystal structure of E. coli hypoxanthine phosphoribosyltransferase in complexed with {[(2-[(Hypoxanthin-9H-yl)methyl]propane-1,3-diyl)bis(oxy)]bis- (methylene)}diphosphonic Acid | | Descriptor: | Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, [2-[(6-oxidanylidene-1~{H}-purin-9-yl)methyl]-3-(phosphonomethoxy)propoxy]methylphosphonic acid | | Authors: | Eng, W.S, Keough, D.T, Hockova, D, Janeba, Z, Guddat, L.W. | | Deposit date: | 2016-06-28 | | Release date: | 2017-07-19 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structures of Acyclic Nucleoside Phosphonates in Complex with Escherichia coli Hypoxanthine Phosphoribosyltransferase
Chemistryselect, 1, 2016
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5KNP
 | | Crystal structure of Mycobacterium tuberculosis hypoxanthine guanine phosphoribosyltransferase in complex with [3S,4R]-(4-(Hypoxanthin-9-yl)pyrrolidin-3-yl)-oxymethanephosphonic acid | | Descriptor: | Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, PYROPHOSPHATE 2-, ... | | Authors: | Eng, W.S, Rejman, D, Keough, D.T, Guddat, L.W. | | Deposit date: | 2016-06-28 | | Release date: | 2017-09-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Crystal structure of Mycobacterium tuberculosis hypoxanthine guanine phosphoribosyltransferase in complex with pyrrolidine nucleoside phosphonate
To Be Published
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6DEP
 | | Crystal structure of Candida albicans acetohydroxyacid synthase in complex with the herbicide sulfometuron methyl | | Descriptor: | (3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL TRIHYDROGEN DIPHOSPHATE, 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Acetolactate synthase, ... | | Authors: | Garcia, M.D, Guddat, L.W. | | Deposit date: | 2018-05-12 | | Release date: | 2018-09-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.149 Å) | | Cite: | Commercial AHAS-inhibiting herbicides are promising drug leads for the treatment of human fungal pathogenic infections.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6DEM
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6C5N
 | | Crystal structure of Staphylococcus aureus ketol-acid reductoisomerase with hydroxyoxamate inhibitor 1 | | Descriptor: | (cyclopentylamino)(oxo)acetic acid, IMIDAZOLE, Ketol-acid reductoisomerase (NADP(+)), ... | | Authors: | Kandale, A, Patel, K.M, Zheng, S, You, L, Guddat, L.W, Schenk, G, Schembri, M.A, McGeary, R.P. | | Deposit date: | 2018-01-16 | | Release date: | 2019-01-30 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.673 Å) | | Cite: | Design, synthesis, in vitro activity and crystallisation of novel N-isopropyl-N-hydroxyoxamate derivatives as ketol-acid reductosiomerase (KARI) inhibitor
To Be Published
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6DEK
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6DER
 | | Crystal structure of Candida albicans acetohydroxyacid synthase in complex with the herbicide metosulam | | Descriptor: | (3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL TRIHYDROGEN DIPHOSPHATE, 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Acetolactate synthase, ... | | Authors: | Garcia, M.D, Guddat, L.W. | | Deposit date: | 2018-05-12 | | Release date: | 2018-09-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.126 Å) | | Cite: | Commercial AHAS-inhibiting herbicides are promising drug leads for the treatment of human fungal pathogenic infections.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6C55
 | | Crystal structure of Staphylococcus aureus Ketol-acid Reductosimerrase with hydroxyoxamate inhibitor 3 | | Descriptor: | (cyclohexylamino)(oxo)acetic acid, Ketol-acid reductoisomerase (NADP(+)), MAGNESIUM ION, ... | | Authors: | Kandale, A, Patel, K.M, Zheng, S, You, L, Guddat, L.W, Schenk, G, Schmbri, M, McGeary, R.P. | | Deposit date: | 2018-01-14 | | Release date: | 2019-01-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Design, synthesis, in vitro activity and crystallisation of novel N-isopropyl-N-hydroxyoxamate derivatives as ketol-acid reductoisomerase (KARI) inhibitors
To Be Published
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6BUL
 | | Crystal structure of Staphylococcus aureus ketol-acid reductoisomerase with hydroxyoxamate inhibitor 2 | | Descriptor: | Ketol-acid reductoisomerase (NADP(+)), MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Kandale, A, Patel, K.M, Zheng, S, You, L, Guddat, L.W, Schenk, G, Schembri, M.A, McFeary, R.P. | | Deposit date: | 2017-12-10 | | Release date: | 2018-12-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Design, synthesis, in vitro activity and crystallisation of novel N-isopropyl-N-hydroxyoxamate derivatives as ketol-acid reductoisomerase (KARI) inhibitors
To Be Published
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6DEQ
 | | Crystal structure of Candida albicans acetohydroxyacid synthase in complex with the herbicide penoxsulam | | Descriptor: | (3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL TRIHYDROGEN DIPHOSPHATE, 2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide, Acetolactate synthase, ... | | Authors: | Garcia, M.D, Guddat, L.W. | | Deposit date: | 2018-05-12 | | Release date: | 2018-09-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.127 Å) | | Cite: | Commercial AHAS-inhibiting herbicides are promising drug leads for the treatment of human fungal pathogenic infections.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6DEL
 | | Crystal structure of Candida albicans acetohydroxyacid synthase in complex with the herbicide chlorimuron ethyl | | Descriptor: | (3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL TRIHYDROGEN DIPHOSPHATE, (3Z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl](formyl)amino}-3-sulfanylpent-3-en-1-yl trihydrogen diphosphate, 2-[[[[(4-CHLORO-6-METHOXY-2-PYRIMIDINYL)AMINO]CARBONYL]AMINO]SULFONYL]BENZOIC ACID ETHYL ESTER, ... | | Authors: | Garcia, M.D, Guddat, L.W. | | Deposit date: | 2018-05-12 | | Release date: | 2018-09-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.119 Å) | | Cite: | Commercial AHAS-inhibiting herbicides are promising drug leads for the treatment of human fungal pathogenic infections.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6DES
 | | Crystal structure of Candida albicans acetohydroxyacid synthase in complex with the herbicide propoxycarbazone | | Descriptor: | 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Acetolactate synthase, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Garcia, M.D, Guddat, L.W. | | Deposit date: | 2018-05-12 | | Release date: | 2018-09-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.402 Å) | | Cite: | Commercial AHAS-inhibiting herbicides are promising drug leads for the treatment of human fungal pathogenic infections.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6DEO
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