Author results

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
1PEN
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ALPHA-CONOTOXIN PNI1
Descriptor:ALPHA-CONOTOXIN PNIA
Authors:Hu, S.-H., Gehrmann, J., Guddat, L.W., Alewood, P.F., Craik, D.J., Martin, J.L.
Deposit date:1996-01-29
Release date:1997-04-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:The 1.1 A crystal structure of the neuronal acetylcholine receptor antagonist, alpha-conotoxin PnIA from Conus pennaceus.
Structure, 4, 1996
1KNG
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CRYSTAL STRUCTURE OF CCMG REDUCING OXIDOREDUCTASE AT 1.14 A
Descriptor:THIOL:DISULFIDE INTERCHANGE PROTEIN CYCY
Authors:Edeling, M.A., Guddat, L.W., Fabianek, R.A., Thony-Meyer, L., Martin, J.L.
Deposit date:2001-12-18
Release date:2002-07-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Structure of CcmG/DsbE at 1.14 A resolution: high-fidelity reducing activity in an indiscriminately oxidizing environment
Structure, 10, 2002
5UQ6
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PIG PURPLE ACID PHOSPHATASE COMPLEXED WITH PHOSPHATE IN TWO COORDINATION MODES ALONG WITH A BRIDGING HYDROXIDE ION
Descriptor:Tartrate-resistant acid phosphatase type 5, N-ACETYL-D-GLUCOSAMINE, FE (III) ION, ...
Authors:Selleck, C., Guddat, L., Schenk, G., Clayton, D.
Deposit date:2017-02-06
Release date:2017-05-24
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (1.182 Å)
Cite:Visualization of the Reaction Trajectory and Transition State in a Hydrolytic Reaction Catalyzed by a Metalloenzyme.
Chemistry, 23, 2017
1NOT
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THE 1.2 ANGSTROM STRUCTURE OF G1 ALPHA CONOTOXIN
Descriptor:GI ALPHA CONOTOXIN
Authors:Guddat, L.W., Shan, L., Martin, J.L., Edmundson, A.B., Gray, W.R.
Deposit date:1996-05-02
Release date:1996-12-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Three-dimensional structure of the alpha-conotoxin GI at 1.2 A resolution
Biochemistry, 35, 1996
5VEJ
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HIGH RESOLUTION CRYSTAL STRUCTURE OF A FLUORIDE-INHIBITED ORGANO-PHOSPHATE-DEGRADING METALLOHYDROLASE
Descriptor:Phosphotriesterase, ACETATE ION, COBALT (II) ION, ...
Authors:Selleck, C.
Deposit date:2017-04-04
Release date:2017-07-19
Last modified:2018-01-03
Method:X-RAY DIFFRACTION (1.301 Å)
Cite:High resolution crystal structure of a fluoride-inhibited organophosphate-degrading metallohydrolase.
J. Inorg. Biochem., 177, 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
5JSQ
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TRYPANOSOME BRUCEI HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANFERASE IN COMPLEX WITH A 9-[7-(PHOSPHONOHEPTYL]GUANINE
Descriptor:hypoxanthine-guanine phosphoribosyltranferase, [6-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)hexyl]phosphonic acid, DI(HYDROXYETHYL)ETHER, ...
Authors:Teran, D., Guddat, L.
Deposit date:2016-05-09
Release date:2016-11-09
Method:X-RAY DIFFRACTION (1.503 Å)
Cite:Crystal structures and inhibition of Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase.
Sci Rep, 6, 2016
1UTE
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PIG PURPLE ACID PHOSPHATASE COMPLEXED WITH PHOSPHATE
Descriptor:PROTEIN (II PURPLE ACID PHOSPHATASE), N-ACETYL-D-GLUCOSAMINE, PHOSPHATE ION, ...
Authors:Guddat, L.W., Mcalpine, A., Hume, D., Hamilton, S., De Jersey, J., Martin, J.L.
Deposit date:1999-01-18
Release date:1999-10-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of mammalian purple acid phosphatase.
Structure Fold.Des., 7, 1999
3FR7
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KETOL-ACID REDUCTOISOMERASE (KARI) IN COMPLEX WITH MG2+
Descriptor:Putative ketol-acid reductoisomerase (Os05g0573700 protein), MAGNESIUM ION
Authors:Guddat, L.W., Leung, E.W.W.
Deposit date:2009-01-08
Release date:2009-04-14
Last modified:2012-12-26
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
3V9M
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PHOSPHOLIPASE ACII4 FROM AUSTRALIAN KING BROWN SNAKE
Descriptor:Phospholipase A2 isozyme PA-11, 1,2-ETHANEDIOL, SULFATE ION, ...
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
5W3K
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CRYSTAL STRUCTURE OF STAPHYLOCOCCUS AUREUS KETOL-ACID REDUCTOISOMERASE IN COMPLEX NADPH, MG2+ AND CPD
Descriptor:Ketol-acid reductoisomerase (NADP(+)), cyclopropane-1,1-dicarboxylic acid, MAGNESIUM ION, ...
Authors:Patel, K.M., Teran, D., Zheng, S., Kandale, A., Schembri, M., McGeary, R.P., Schenk, G., Guddat, L.W.
Deposit date:2017-06-08
Release date:2017-10-25
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (1.589 Å)
Cite:Crystal Structures of Staphylococcus aureus Ketol-Acid Reductoisomerase in Complex with Two Transition State Analogues that Have Biocidal Activity.
Chemistry, 23, 2017
3BYB
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CRYSTAL STRUCTURE OF TEXTILININ-1, A KUNITZ-TYPE SERINE PROTEASE INHIBITOR FROM THE AUSTRALIAN COMMON BROWN SNAKE VENOM
Descriptor:Textilinin, SULFATE ION, 2-ETHOXYETHANOL
Authors:Millers, E.K., Guddat, L.W.
Deposit date:2008-01-15
Release date:2009-01-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Crystal structure of textilinin-1, a Kunitz-type serine protease inhibitor from the venom of the Australian common brown snake (Pseudonaja textilis).
Febs J., 276, 2009
3D65
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CRYSTAL STRUCTURE OF TEXTILININ-1, A KUNITZ-TYPE SERINE PROTEASE INHIBITOR FROM THE AUSTRALIAN COMMON BROWN SNAKE VENOM, IN COMPLEX WITH TRYPSIN
Descriptor:Textilinin, Cationic trypsin, CALCIUM ION
Authors:Millers, E.-K.I., Masci, P.P., Lavin, M.F., de Jersey, J., Guddat, L.W.
Deposit date:2008-05-19
Release date:2009-06-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Crystal structure of Textilinin-1, a Kunitz-type serine protease inhibitor from the Australian Common Brown snake venom, in complex with trypsin
To be Published
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
1FVK
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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:2011-07-13
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
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
5HIA
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HUMAN 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-guanine phosphoribosyltransferase, [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, MAGNESIUM ION
Authors:Guddat, L.W., Keough, D.T., Rejman, D.
Deposit date:2016-01-11
Release date:2017-01-18
Last modified:2017-12-13
Method:X-RAY DIFFRACTION (1.773 Å)
Cite:Design of Plasmodium vivax Hypoxanthine-Guanine Phosphoribosyltransferase Inhibitors as Potential Antimalarial Therapeutics.
ACS Chem. Biol., 2017
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
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
1AQK
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THREE-DIMENSIONAL STRUCTURE OF A HUMAN FAB WITH HIGH AFFINITY FOR TETANUS TOXOID
Descriptor:FAB B7-15A2
Authors:Faber, C., Fan, Z., Edmundson, A.B.
Deposit date:1997-07-30
Release date:1998-02-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Three-dimensional structure of a human Fab with high affinity for tetanus toxoid.
Immunotechnology, 3, 1998
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
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
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
1ACV
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DSBA MUTANT H32S
Descriptor:DSBA
Authors:Guddat, L.W., Martin, J.L.
Deposit date:1997-02-10
Release date:1997-10-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural analysis of three His32 mutants of DsbA: support for an electrostatic role of His32 in DsbA stability.
Protein Sci., 6, 1997