Author results

3FR8
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RICE KETOLACID REDUCTOISOMERASE IN COMPLEX WITH MG2+-NADPH
Descriptor:Putative ketol-acid reductoisomerase (Os05g0573700 protein), MAGNESIUM ION, SULFATE ION, ...
Authors:Leung, E.W.W., Guddat, L.W.
Deposit date:2009-01-08
Release date:2009-04-14
Last modified:2011-11-16
Method:X-RAY DIFFRACTION (2.8 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
3OOD
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STRUCTURE OF OPDA Y257F MUTANT SOAKED WITH DIETHYL 4-METHOXYPHENYL PHOSPHATE FOR 20 HOURS.
Descriptor:Phosphotriesterase, COBALT (II) ION, DIETHYL 4-METHOXYPHENYL PHOSPHATE
Authors:Ely, F., Guddat, L.W., Ollis, D.L., Schenk, G.
Deposit date:2010-08-31
Release date:2011-11-02
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:The organophosphate-degrading enzyme from Agrobacterium radiobacter displays mechanistic flexibility for catalysis.
Biochem.J., 432, 2010
3OQE
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STRUCTURE OF OPDA MUTANT Y257F
Descriptor:Phosphotriesterase, COBALT (II) ION, 1,2-ETHANEDIOL
Authors:Ely, F., Guddat, L.W., Ollis, D.L., Schenk, G.
Deposit date:2010-09-02
Release date:2011-11-02
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The organophosphate-degrading enzyme from Agrobacterium radiobacter displays mechanistic flexibility for catalysis.
Biochem.J., 432, 2010
3SO7
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ORGANOPHOSHATEDEGRADING ENZYME (OPDA)-PHOSPHATE COMPLEX
Descriptor:Phosphotriesterase, COBALT (II) ION, SODIUM ION, ...
Authors:Ely, F., Pedroso, M., Gahan, L.R., Ollis, D.L., Guddat, L.W., Schenk, G.
Deposit date:2011-06-30
Release date:2011-12-07
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Phosphate-bound structure of an organophosphate-degrading enzyme from Agrobacterium radiobacter.
J.Inorg.Biochem., 106, 2011
3ULK
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E. COLI KETOL-ACID REDUCTOISOMERASE IN COMPLEX WITH NADPH AND MG2+
Descriptor:Ketol-acid reductoisomerase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ...
Authors:Wong, S.H., Lonhienne, T.G.A., Winzor, D.J., Schenk, G., Guddat, L.W.
Deposit date:2011-11-11
Release date:2012-10-17
Last modified:2013-06-26
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Bacterial and plant ketol-acid reductoisomerases have different mechanisms of induced fit during the catalytic cycle
J.Mol.Biol., 424, 2012
4DHL
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CRYSTAL STRUCTURE OF RED KIDNEY BEAN PURPLE ACID PHOSPHATASE IN COMPLEX WITH MAYBRIDGE FRAGMENT MO07123
Descriptor:Purple acid phosphatase, ZINC ION, FE (III) ION, ...
Authors:Feder, D., Clayton, D.J., Hussein, W.M., Schenk, G., McGeary, R., Guddat, L.W.
Deposit date:2012-01-29
Release date:2012-12-12
Last modified:2013-01-02
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification of purple acid phosphatase inhibitors by fragment-based screening: promising new leads for osteoporosis therapeutics.
Chem.Biol.Drug Des., 80, 2012
4DSY
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CRYSTAL STRUCTURE OF RED KIDNEY BEAN PURPLE ACID PHOSPHATASE IN COMPLEX WITH MAYBRIDGE FRAGMENT CC24201
Descriptor:Purple acid phosphatase, ZINC ION, FE (III) ION, ...
Authors:Feder, D., Hussein, W.M., Clayton, D.J., Kan, M., Schenk, G., McGeary, R.P., Guddat, L.W.
Deposit date:2012-02-20
Release date:2012-09-19
Last modified:2013-01-02
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification of purple acid phosphatase inhibitors by fragment-based screening: promising new leads for osteoporosis therapeutics.
Chem.Biol.Drug Des., 80, 2012
4DT2
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CRYSTAL STRUCTURE OF RED KIDNEY BEAN PURPLE ACID PHOSPHATASE IN COMPLEX WITH MAYBRIDGE FRAGMENT CC27209
Descriptor:Purple acid phosphatase, ZINC ION, FE (III) ION, ...
Authors:Feder, D., Hussein, W.M., Clayton, D.J., Kan, M., Schenk, G., McGeary, R.P., Guddat, L.W.
Deposit date:2012-02-20
Release date:2012-09-19
Last modified:2013-01-02
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Identification of purple acid phosphatase inhibitors by fragment-based screening: promising new leads for osteoporosis therapeutics.
Chem.Biol.Drug Des., 80, 2012
4JIT
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CRYSTAL STRUCTURE OF E. COLI XGPRT IN COMPLEX WITH (S)-3-(GUANIN-9-YL)PYRROLIDIN-N-YLACETYLPHOSPHONIC ACID
Descriptor:Xanthine phosphoribosyltransferase, {2-[(3S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)pyrrolidin-1-yl]-2-oxoethyl}phosphonic acid
Authors:Keough, D.T., Hockova, D., Rejman, D., Spacek, P., Vrbkova, S., Krecmerova, M., Eng, W.S., Jans, H., West, N.P., Naesens, L.M.J., de Jersey, J., Guddat, L.W.
Deposit date:2013-03-07
Release date:2014-12-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Inhibition of the Escherichia coli 6-oxopurine phosphoribosyltransferases by nucleoside phosphonates: potential for new antibacterial agents.
J.Med.Chem., 56, 2013
4JLS
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CRYSTAL STRUCTURE OF E. COLI XGPRT IN COMPLEX WITH (3R,4S)-4-(GUANIN-9-YL)-3-HYDROXYPYRROLIDIN-1-N-YLACETYLPHOSPHONIC ACID
Descriptor:Xanthine phosphoribosyltransferase, {2-[(3S,4R)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl}phosphonic acid
Authors:Keough, D.T., Hockova, D., Rejman, D., Spacek, P., Vrbkova, S., Krecmerova, M., Eng, W.S., Jans, H., West, N.P., Naesens, L.M.J., de Jersey, J., Guddat, L.W.
Deposit date:2013-03-12
Release date:2014-12-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Inhibition of the Escherichia coli 6-oxopurine phosphoribosyltransferases by nucleoside phosphonates: potential for new antibacterial agents.
J.Med.Chem., 56, 2013
4RAB
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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, [(E)-2-(2-{[2-(2-amino-8-bromo-6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl][(E)-2-phosphonoethenyl]amino}ethoxy)ethenyl]phosphonic acid, MAGNESIUM 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:2015-12-23
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
4RAC
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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, [(2-{[2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl][(E)-2-phosphonoethenyl]amino}ethoxy)methyl]phosphonic acid, 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:2015-12-23
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
4RAD
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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, (2-{[2-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)ethyl][2-(2-phosphonoethoxy)ethyl]amino}ethyl)phosphonic acid, 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:2015-12-23
Method:X-RAY DIFFRACTION (2 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
4RAN
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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, (2-{[2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl](3-aminopropyl)amino}ethyl)phosphonic acid, 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:2015-12-23
Method:X-RAY DIFFRACTION (2.549 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
4RAO
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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, (2-{[2-(6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl](2-{[(E)-2-phosphonoethenyl]oxy}ethyl)amino}ethyl)phosphonic acid, 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:2018-01-24
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
4RAQ
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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, [(2-{[2-(6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl](2-phosphonoethyl)amino}ethoxy)methyl]phosphonic acid, 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:2015-12-23
Method:X-RAY DIFFRACTION (2.53 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
4RHT
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CRYSTAL STRUCTURES OF MYCOBACTERIUM TUBERCULOSIS 6-OXOPURINE PHOSPHORIBOSYLTRANSFERASE WHICH IS A POTENTIAL TARGET FOR DRUG DEVELOPMENT AGAINST THIS DISEASE
Descriptor:Hypoxanthine-guanine phosphoribosyltransferase Hpt, PYROPHOSPHATE 2-, GUANOSINE-5'-MONOPHOSPHATE, ...
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:2015-06-24
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
4RHU
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CRYSTAL STRUCTURES OF MYCOBACTERIUM TUBERCULOSIS 6-OXOPURINE PHOSPHORIBOSYLTRANSFERASE WHICH IS A POTENTIAL TARGET FOR DRUG DEVELOPMENT AGAINST THIS DISEASE
Descriptor:Hypoxanthine-guanine phosphoribosyltransferase Hpt, {[(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), 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:2015-06-24
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
4RHX
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STRUCTURES OF MYCOBACTERIUM TUBERCULOSIS 6-OXOPURINE PHOSPHORIBOSYLTRANSFERASE WHICH IS A POTENTIAL TARGET FOR DRUG DEVELOPMENT AGAINST THIS DISEASE
Descriptor:Hypoxanthine-guanine phosphoribosyltransferase, [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, 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:2015-06-24
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
4RHY
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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:2015-06-24
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
4YPO
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CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS KETOL-ACID REDUCTOISOMERASE IN COMPLEX WITH MG2+
Descriptor:Ketol-acid reductoisomerase, MAGNESIUM ION, CHLORIDE ION, ...
Authors:Lv, Y., Guddat, L.W.
Deposit date:2015-03-13
Release date:2016-02-17
Last modified:2016-04-27
Method:X-RAY DIFFRACTION (1.001 Å)
Cite:Crystal structure of Mycobacterium tuberculosis ketol-acid reductoisomerase at 1.0 angstrom resolution - a potential target for anti-tuberculosis drug discovery.
Febs J., 283, 2016
5BRN
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HUMAN HGPRT IN COMPLEX WITH (S)-HPEPHX, AN ACYCLIC NUCLEOSIDE PHOSPHONATE
Descriptor:Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, (2-{[(2S)-1-hydroxy-3-(6-oxo-1,6-dihydro-9H-purin-9-yl)propan-2-yl]oxy}ethyl)phosphonic acid
Authors:Keough, D.T., Guddat, L.W., Kaiser, M.M., Hockova, D., Wang, T.-H., Janeba, Z.
Deposit date:2015-05-31
Release date:2015-10-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Synthesis and Evaluation of Novel Acyclic Nucleoside Phosphonates as Inhibitors of Plasmodium falciparum and Human 6-Oxopurine Phosphoribosyltransferases.
Chemmedchem, 10, 2015
5BSK
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HUMAN HGPRT IN COMPLEX WITH (S)-HPEPG, AN ACYCLIC NUCLEOSIDE PHOSPHONATE
Descriptor:Hypoxanthine-guanine phosphoribosyltransferase, (2-{[(2S)-1-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3-hydroxypropan-2-yl]oxy}ethyl)phosphonic acid, MAGNESIUM ION
Authors:Keough, D.T., Guddat, L.W., Kaiser, M.M., Hockova, D., Wang, T.-H., Janeba, Z.
Deposit date:2015-06-02
Release date:2015-09-23
Last modified:2015-10-07
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Synthesis and Evaluation of Novel Acyclic Nucleoside Phosphonates as Inhibitors of Plasmodium falciparum and Human 6-Oxopurine Phosphoribosyltransferases.
Chemmedchem, 10, 2015
5K2O
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CRYSTAL STRUCTURE OF ARABIDOPSIS THALIANA ACETOHYDROXYACID SYNTHASE IN COMPLEX WITH A PYRIMIDINYL-BENZOATE HERBICIDE, PYRITHIOBAC
Descriptor:Acetolactate synthase, chloroplastic, MAGNESIUM ION, ...
Authors:Garcia, M.D., Lonhienne, T., Guddat, L.W.
Deposit date:2016-05-19
Release date:2017-02-08
Last modified:2017-09-27
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
5K3S
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CRYSTAL STRUCTURE OF ARABIDOPSIS THALIANA ACETOHYDROXYACID SYNTHASE IN COMPLEX WITH A PYRIMIDINYL-BENZOATE HERBICIDE, BISPYRIBAC-SODIUM
Descriptor:Acetolactate synthase, chloroplastic, MAGNESIUM ION, ...
Authors:Garcia, M.D., Lonhienne, T., Guddat, L.W.
Deposit date:2016-05-19
Release date:2017-02-08
Last modified:2017-09-27
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