Author results

6HWR
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RED KIDNEY BEAN PURPLE ACID PHOSPHATASE IN COMPLEX WITH ADENOSINE DIVANADATE
Descriptor:Fe(3+)-Zn(2+) purple acid phosphatase, ZINC ION, FE (III) ION, ...
Authors:Feder, D., Gahan, L.R., McGeary, R.P., Guddat, L.W., Schenk, G.
Deposit date:2018-10-13
Release date:2019-04-03
Last modified:2019-06-26
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The Binding Mode of an ADP Analogue to a Metallohydrolase Mimics the Likely Transition State.
Chembiochem, 20, 2019
6G46
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RED KIDNEY BEAN PURPLE ACID PHOSPHATASE IN COMPLEX WITH 2-(NAPHTHALEN-1-YL)THIAZOLE-4-CARBOXYLIC ACID
Descriptor:Fe(3+)-Zn(2+) purple acid phosphatase, ZINC ION, FE (III) ION, ...
Authors:Feder, D.F.
Deposit date:2018-03-26
Release date:2018-09-26
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Purple acid phosphatase inhibitors as leads for osteoporosis chemotherapeutics.
Eur J Med Chem, 157, 2018
6DES
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CRYSTAL STRUCTURE OF CANDIDA ALBICANS ACETOHYDROXYACID SYNTHASE IN COMPLEX WITH THE HERBICIDE PROPOXYCARBAZONE
Descriptor:Acetolactate synthase, FLAVIN-ADENINE DINUCLEOTIDE, POTASSIUM ION, ...
Authors:Garcia, M.D., Guddat, L.W.
Deposit date:2018-05-12
Release date:2018-09-26
Last modified:2018-10-17
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
6DER
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CRYSTAL STRUCTURE OF CANDIDA ALBICANS ACETOHYDROXYACID SYNTHASE IN COMPLEX WITH THE HERBICIDE METOSULAM
Descriptor:Acetolactate synthase, FLAVIN-ADENINE DINUCLEOTIDE, POTASSIUM ION, ...
Authors:Garcia, M.D., Guddat, L.W.
Deposit date:2018-05-12
Release date:2018-09-26
Last modified:2018-10-17
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
6DEQ
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CRYSTAL STRUCTURE OF CANDIDA ALBICANS ACETOHYDROXYACID SYNTHASE IN COMPLEX WITH THE HERBICIDE PENOXSULAM
Descriptor:Acetolactate synthase, FLAVIN-ADENINE DINUCLEOTIDE, POTASSIUM ION, ...
Authors:Garcia, M.D., Guddat, L.W.
Deposit date:2018-05-12
Release date:2018-09-26
Last modified:2018-10-17
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
6DEP
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CRYSTAL STRUCTURE OF CANDIDA ALBICANS ACETOHYDROXYACID SYNTHASE IN COMPLEX WITH THE HERBICIDE SULFOMETURON METHYL
Descriptor:Acetolactate synthase, FLAVIN-ADENINE DINUCLEOTIDE, POTASSIUM ION, ...
Authors:Garcia, M.D., Guddat, L.W.
Deposit date:2018-05-12
Release date:2018-09-26
Last modified:2018-10-17
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
6DEO
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CRYSTAL STRUCTURE OF CANDIDA ALBICANS ACETOHYDROXYACID SYNTHASE IN COMPLEX WITH THE HERBICIDE IODOMURON METHYL
Descriptor:Acetolactate synthase, FLAVIN-ADENINE DINUCLEOTIDE, POTASSIUM ION, ...
Authors:Garcia, M.D., Guddat, L.W.
Deposit date:2018-05-12
Release date:2018-09-26
Last modified:2018-10-17
Method:X-RAY DIFFRACTION (1.971 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
6DEN
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CRYSTAL STRUCTURE OF CANDIDA ALBICANS ACETOHYDROXYACID SYNTHASE IN COMPLEX WITH THE HERBICIDE IODOMURON ETHYL
Descriptor:Acetolactate synthase, POTASSIUM ION, MAGNESIUM ION, ...
Authors:Garcia, M.D., Guddat, L.W.
Deposit date:2018-05-12
Release date:2018-09-26
Last modified:2018-10-17
Method:X-RAY DIFFRACTION (1.806 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
6DEM
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CRYSTAL STRUCTURE OF CANDIDA ALBICANS ACETOHYDROXYACID SYNTHASE IN COMPLEX WITH THE HERBICIDE BENSULFURON METHYL
Descriptor:Acetolactate synthase, FLAVIN-ADENINE DINUCLEOTIDE, POTASSIUM ION, ...
Authors:Garcia, M.D., Guddat, L.W.
Deposit date:2018-05-12
Release date:2018-09-26
Last modified:2018-10-17
Method:X-RAY DIFFRACTION (2.038 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
6DEL
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CRYSTAL STRUCTURE OF CANDIDA ALBICANS ACETOHYDROXYACID SYNTHASE IN COMPLEX WITH THE HERBICIDE CHLORIMURON ETHYL
Descriptor:Acetolactate synthase, POTASSIUM ION, MAGNESIUM ION, ...
Authors:Garcia, M.D., Guddat, L.W.
Deposit date:2018-05-12
Release date:2018-09-26
Last modified:2018-10-17
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
6DEK
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CRYSTAL STRUCTURE OF CANDIDA ALBICANS ACETOHYDROXYACID SYNTHASE CATALYTIC SUBUNIT
Descriptor:Acetolactate synthase, FLAVIN-ADENINE DINUCLEOTIDE, POTASSIUM ION, ...
Authors:Garcia, M.D., Guddat, L.W.
Deposit date:2018-05-12
Release date:2018-09-26
Last modified:2018-10-17
Method:X-RAY DIFFRACTION (2.971 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
6C5N
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CRYSTAL STRUCTURE OF STAPHYLOCOCCUS AUREUS KETOL-ACID REDUCTOISOMERASE WITH HYDROXYOXAMATE INHIBITOR 1
Descriptor:Ketol-acid reductoisomerase (NADP(+)), NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, MAGNESIUM ION, ...
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
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
6C55
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CRYSTAL STRUCTURE OF STAPHYLOCOCCUS AUREUS KETOL-ACID REDUCTOSIMERRASE WITH HYDROXYOXAMATE INHIBITOR 3
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., Schmbri, M., McGeary, R.P.
Deposit date:2018-01-14
Release date:2019-01-16
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
6BUL
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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
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
6BO7
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CRYSTAL STRUCTURE OF PLASMODIUM VIVAX HYPOXANTHINE GUANINE PHOSPHORIBOSYLTRANSFERASE IN COMPLEX WITH [3R,4R]-4-GUANIN-9-YL-3-((S)-2-HYDROXY-2-PHOSPHONOETHYL)OXY-1-N-(PHOSPHONOPROPIONYL)PYRROLIDINE
Descriptor:Hypoxanthine 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-yl]-3-oxidanylidene-propyl]phosphonic acid
Authors:Guddat, L.W., Keough, D.T., Rejman, D.
Deposit date:2017-11-18
Release date:2017-12-13
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.856 Å)
Cite:Design of Plasmodium vivax Hypoxanthine-Guanine Phosphoribosyltransferase Inhibitors as Potential Antimalarial Therapeutics.
ACS Chem. Biol., 13, 2018
6BNJ
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HUMAN HYPOXANTHINE GUANINE PHOSPHORIBOSYLTRANSFERASE IN COMPLEX WITH [3R,4R]-4-GUANIN-9-YL-3-((R)-2-HYDROXY-2-PHOSPHONOETHYL)OXY-1-N-(PHOSPHONOPROPIONYL)PYRROLIDINE
Descriptor:Hypoxanthine-guanine phosphoribosyltransferase, (3-{(3R,4R)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-[(2R)-2-hydroxy-2-phosphonoethoxy]pyrrolidin-1-yl}-3-oxopropyl)phosphonic acid, MAGNESIUM ION
Authors:Keough, D.T., Rejman, D., Guddat, L.W.
Deposit date:2017-11-16
Release date:2017-12-06
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.909 Å)
Cite:Design of Plasmodium vivax Hypoxanthine-Guanine Phosphoribosyltransferase Inhibitors as Potential Antimalarial Therapeutics.
ACS Chem. Biol., 13, 2018
6BD9
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SACCHAROMYCES CEREVISIAE ACETOHYDROXYACID SYNTHASE
Descriptor:Acetolactate synthase catalytic subunit, mitochondrial, POTASSIUM ION, ...
Authors:Guddat, L.W., Lonhienne, T.
Deposit date:2017-10-22
Release date:2017-11-08
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (1.982 Å)
Cite:High resolution crystal structures of the acetohydroxyacid synthase-pyruvate complex provide new insights into its catalytic mechanism
Chemistryselect, 2017
6BD3
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SACCHAROMYCES CEREVISIAE ACETOHYDROXYACID SYNTHASE
Descriptor:Acetolactate synthase catalytic subunit, mitochondrial, POTASSIUM ION, ...
Authors:Guddat, L.W., Lonhienne, T.
Deposit date:2017-10-21
Release date:2017-11-08
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:High resolution crystal structures of the acetohydroxyacid synthase-pyruvate complex provide new insights into its catalytic mechanism
Chemistryselect, 2017
6AQJ
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CRYSTAL STRUCTURES OF STAPHYLOCOCCUS AUREUS KETOL-ACID REDUCTOISOMERASE IN COMPLEX WITH TWO TRANSITION STATE ANALOGS THAT HAVE BIOCIDAL ACTIVITY.
Descriptor:Ketol-acid reductoisomerase (NADP(+)), MAGNESIUM ION, oxo(propan-2-ylamino)acetic acid, ...
Authors:Patel, K.M., Teran, D., Zheng, S., Gracia, M., Lv, Y., Schembri, M.A., McGeary, R.P., Schenk, G., Guddat, L.W.
Deposit date:2017-08-20
Release date:2017-10-18
Last modified:2018-01-03
Method:X-RAY DIFFRACTION (1.373 Å)
Cite:Crystal Structures of Staphylococcus aureus Ketol-Acid Reductoisomerase in Complex with Two Transition State Analogues that Have Biocidal Activity.
Chemistry, 23, 2017
6APV
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TRYPANOSOMA BRUCEI HYPOXANTHINE GUANINE PHOSPHORIBOSYLTRANSFERASE IN COMPLEX WITH [(2-{[2-(2-AMINO-6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)ETHYL][(E)-2-PHOSPHONOETHENYL]AMINO}ETHOXY)METHYL]PHOSPHONIC ACID
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:Teran, D., Guddat, L.W.
Deposit date:2017-08-18
Release date:2018-03-14
Method:X-RAY DIFFRACTION (1.993 Å)
Cite:Evaluation of the Trypanosoma brucei 6-oxopurine salvage pathway as a potential target for drug discovery.
PLoS Negl Trop Dis, 12, 2018
6APT
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TRYPANOSOMA BRUCEI HYPOXANTHINE GUANINE PHOSPHORIBOSYLTRANSFERASE IN COMPLEX WITH {[(2S)-3-(2-AMINO-6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)PROPANE-1,2-DIYL]BIS(OXYETHANE-2,1-DIYL)}BIS(PHOSPHONIC ACID)
Descriptor:Hypoxanthine-guanine phosphoribosyltransferase, {[(2S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)propane-1,2-diyl]bis(oxyethane-2,1-diyl)}bis(phosphonic acid), DI(HYDROXYETHYL)ETHER
Authors:Teran, D., Guddat, L.W.
Deposit date:2017-08-17
Release date:2018-03-14
Method:X-RAY DIFFRACTION (1.795 Å)
Cite:Evaluation of the Trypanosoma brucei 6-oxopurine salvage pathway as a potential target for drug discovery.
PLoS Negl Trop Dis, 12, 2018
6APS
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TRYPANOSOMA BRUCEI 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, [{2-[(guanine-9-yl)methyl]propane-1,3-diyl}bis(oxymethylene)]bis(phosphonic acid), MAGNESIUM ION, ...
Authors:Teran, D., Guddat, L.W.
Deposit date:2017-08-17
Release date:2018-03-14
Method:X-RAY DIFFRACTION (1.762 Å)
Cite:Evaluation of the Trypanosoma brucei 6-oxopurine salvage pathway as a potential target for drug discovery.
PLoS Negl Trop Dis, 12, 2018
6AJJ
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CRYSTAL STRUCTURE OF MYCOLIC ACID TRANSPORTER MMPL3 FROM MYCOBACTERIUM SMEGMATIS COMPLEXED WITH ICA38
Descriptor:Drug exporters of the RND superfamily-like protein,Endolysin, (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, alpha-D-glucopyranosyl 6-O-dodecyl-alpha-D-glucopyranoside, ...
Authors:Zhang, B., Li, J., Yang, X.L., Wu, L.J., Yang, H.T., Rao, Z.H.
Deposit date:2018-08-27
Release date:2018-12-26
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (2.794 Å)
Cite:Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target.
Cell, 176, 2019
6AJI
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CRYSTAL STRUCTURE OF MYCOLIC ACID TRANSPORTER MMPL3 FROM MYCOBACTERIUM SMEGMATIS COMPLEXED WITH RIMONABANT
Descriptor:Drug exporters of the RND superfamily-like protein,Endolysin, 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide, alpha-D-glucopyranosyl 6-O-dodecyl-alpha-D-glucopyranoside, ...
Authors:Zhang, B., Li, J., Yang, X.L., Wu, L.J., Yang, H.T., Rao, Z.H.
Deposit date:2018-08-27
Release date:2018-12-26
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target.
Cell, 176, 2019
6AJH
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CRYSTAL STRUCTURE OF MYCOLIC ACID TRANSPORTER MMPL3 FROM MYCOBACTERIUM SMEGMATIS COMPLEXED WITH AU1235
Descriptor:Drug exporters of the RND superfamily-like protein,Endolysin, 1-(2-adamantyl)-3-[2,3,4-tris(fluoranyl)phenyl]urea, alpha-D-glucopyranosyl 6-O-dodecyl-alpha-D-glucopyranoside, ...
Authors:Zhang, B., Li, J., Yang, X.L., Wu, L.J., Yang, H.T., Rao, Z.H.
Deposit date:2018-08-27
Release date:2018-12-26
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (2.818 Å)
Cite:Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target.
Cell, 176, 2019