Author results

1XZW
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SWEET POTATO PURPLE ACID PHOSPHATASE/PHOSPHATE COMPLEX
Descriptor:purple acid phosphatase, N-ACETYL-D-GLUCOSAMINE, ALPHA-L-FUCOSE, ...
Authors:Schenk, G., Carrington, L.E., Gahan, L.R., Hamilton, S.E., de Jersey, J., Guddat, L.W.
Deposit date:2004-11-12
Release date:2004-12-14
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Phosphate forms an unusual tripodal complex with the Fe-Mn center of sweet potato purple acid phosphatase
Proc.Natl.Acad.Sci.USA, 102, 2005
2QFR
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CRYSTAL STRUCTURE OF RED KIDNEY BEAN PURPLE ACID PHOSPHATASE WITH BOUND SULFATE
Descriptor:Purple acid phosphatase, FE (III) ION, ZINC ION, ...
Authors:Guddat, L.W., Schenk, G., Gahan, L.R., Elliot, T.W., Leung, E.
Deposit date:2007-06-27
Release date:2008-10-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of a purple acid phosphatase, representing different steps of this enzyme's catalytic cycle.
Bmc Struct.Biol., 8, 2008
3A3W
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STRUCTURE OF OPDA MUTANT (G60A/A80V/S92A/R118Q/K185R/Q206P/D208G/I260T/G273S) WITH DIETHYL 4-METHOXYPHENYL PHOSPHATE BOUND IN THE ACTIVE SITE
Descriptor:Phosphotriesterase, COBALT (II) ION, DIETHYL 4-METHOXYPHENYL PHOSPHATE
Authors:Ollis, D.L., Tawfik, D.S., Schenk, G., Jackson, C.J., Foo, J.L., Tokuriki, N., Afriat, L., Carr, P.D., Kim, H.K.
Deposit date:2009-06-23
Release date:2010-01-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Conformational sampling, catalysis, and evolution of the bacterial phosphotriesterase
Proc.Natl.Acad.Sci.USA, 2009
3A3X
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STRUCTURE OF OPDA MUTANT (G60A/A80V/R118Q/K185R/Q206P/D208G/I260T/G273S)
Descriptor:Phosphotriesterase, COBALT (II) ION
Authors:Ollis, D.L., Tawfik, D.S., Schenk, G., Jackson, C.J., Foo, J.L., Tokuriki, N., Afriat, L., Carr, P.D., Kim, H.K.
Deposit date:2009-06-23
Release date:2010-01-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Conformational sampling, catalysis, and evolution of the bacterial phosphotriesterase
Proc.Natl.Acad.Sci.USA, 2009
3D03
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1.9A STRUCTURE OF GLYCEROPHOSHPHODIESTERASE (GPDQ) FROM ENTEROBACTER AEROGENES
Descriptor:Phosphohydrolase, COBALT (II) ION
Authors:Hadler, K.S., Tanifum, E., Yip, S.H.-C., Miti, N., Guddat, L.W., Jackson, C.J., Gahan, L.R., Carr, P.D., Nguyen, K., Ollis, D.L., Hengge, A.C., Larrabee, J.A., Schenk, G.
Deposit date:2008-04-30
Release date:2008-10-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Substrate-promoted formation of a catalytically competent binuclear center and regulation of reactivity in a glycerophosphodiesterase from Enterobacter aerogenes.
J.Am.Chem.Soc., 130, 2008
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
4URT
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THE CRYSTAL STRUCTURE OF A FRAGMENT OF NETRIN-1 IN COMPLEX WITH FN5- FN6 OF DCC
Descriptor:NETRIN-1, NETRIN RECEPTOR DCC, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Finci, L.I., Krueger, N., Sun, X., Zhang, J., Chegkazi, M., Wu, Y., Schenk, G., Mertens, H.D.T., Svergun, D.I., Zhang, Y., Wang, J.-h., Meijers, R.
Deposit date:2014-07-02
Release date:2014-09-10
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:The Crystal Structure of Netrin-1 in Complex with Dcc Reveals the Bi-Functionality of Netrin-1 as a Guidance Cue
Neuron, 83, 2014
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
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
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
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
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
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
6DN4
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CRONOBACTER SAKAZAKII (ENTEROBACTER SAKAZAKII) METALLO-BETA-LACTAMSE HARLDQ MOTIF
Descriptor:Beta-lactamase
Authors:Monteiro Pedroso, M., Waite, D., Natasa, M., McGeary, R., Guddat, L., Hugenholtz, P., Schenk, G.
Deposit date:2018-06-06
Release date:2019-06-12
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Evolution and diversity of B3-type Metallo-beta-lactamases, emerging contributors to the spread of antibiotic resistance.
To Be Published
6DQ2
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CRONOBACTER SAKAZAKII (ENTEROBACTER SAKAZAKII) METALLO-BETA-LACTAMSE HARLDQ MOTIF MUTANT S60
Descriptor:Beta-lactamase, PHOSPHATE ION
Authors:Monteiro Pedroso, M., Waite, D., Natasa, M., McGeary, R., Guddat, L., Hugenholtz, P., Schenk, G.
Deposit date:2018-06-10
Release date:2019-06-12
Method:X-RAY DIFFRACTION (2.158 Å)
Cite:Evolution and diversity of B3-type Metallo-beta-lactamases, emerging contributors to the spread of antibiotic resistance.
To Be Published
6DQH
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CRONOBACTER SAKAZAKII (ENTEROBACTER SAKAZAKII) METALLO-BETA-LACTAMSE HARLDQ MOTIF
Descriptor:Beta-lactamase, ZINC ION, PHOSPHATE ION
Authors:Monteiro Pedroso, M., Waite, D., Natasa, M., McGeary, R., Guddat, L., Hugenholtz, P., Schenk, G.
Deposit date:2018-06-11
Release date:2019-06-19
Method:X-RAY DIFFRACTION (1.104 Å)
Cite:Evolution and diversity of B3-type Metallo-beta-lactamases, emerging contributors to the spread of antibiotic resistance.
To Be Published
6DR8
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METALLO-BETA-LACTAMASE FROM CRONOBACTER SAKAZAKII (ENTEROBACTER SAKAZAKII) HARLDQ MOTIF MUTANT S60/R118H/Q121H/K254H
Descriptor:Beta-lactamase, PHOSPHATE ION, ZINC ION, ...
Authors:Monteiro Pedroso, M., Waite, D., Natasa, M., McGeary, R., Guddat, L., Hugenholtz, P., Schenk, G.
Deposit date:2018-06-11
Release date:2019-06-19
Method:X-RAY DIFFRACTION (1.476 Å)
Cite:Evolution and diversity of B3-type Metallo-beta-lactamases, emerging contributors to the spread of antibiotic resistance.
To Be Published
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
2QFP
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CRYSTAL STRUCTURE OF RED KIDNEY BEAN PURPLE ACID PHOSPHATASE IN COMPLEX WITH FLUORIDE
Descriptor:Purple acid phosphatase, FE (III) ION, ZINC ION, ...
Authors:Guddat, L.W., Schenk, G.S., Gahan, L.R., Elliot, T.W., Leung, E.
Deposit date:2007-06-27
Release date:2008-10-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of a purple acid phosphatase, representing different steps of this enzyme's catalytic cycle.
Bmc Struct.Biol., 8, 2008
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