Author results

4PHN
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THE STRUCTURAL BASIS OF DIFFERENTIAL INHIBITION OF HUMAN CALPAIN BY INDOLE AND PHENYL ALPHA-MERCAPTOACRYLIC ACIDS
Descriptor:Calpain small subunit 1, CALCIUM ION
Authors:Allemann, R.K., Rizkallah, P.J., Adams, S.E., Miller, D.J., Hallett, M.B.
Deposit date:2014-05-06
Release date:2014-08-13
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:The structural basis of differential inhibition of human calpain by indole and phenyl alpha-mercaptoacrylic acids.
J.Struct.Biol., 187, 2014
1V1D
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NUCLEOPHILIC AND GENERAL ACID CATALYSIS AT PHYSIOLOGICAL PH BY A DESIGNED MINIATURE ESTERASE
Descriptor:PANCREATIC HORMONE
Authors:Nicoll, A., Allemann, R.K.
Deposit date:2004-04-14
Release date:2005-04-14
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Nucleophilic and General Acid Catalysis at Physiological Ph by a Designed Miniature Esterase
Org.Biomol.Chem., 2, 2004
2LP8
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SOLUTION STRUCTURE OF AN APOPTOSIS ACTIVATING PHOTOSWITCHABLE BAK PEPTIDE BOUND TO BCL-XL
Descriptor:Bcl-2-like protein 1, Bcl-2 homologous antagonist/killer, 3,3'-(E)-diazene-1,2-diylbis{6-[(chloroacetyl)amino]benzenesulfonic acid}
Authors:Wysoczanski, P., Mart, R.J., Loveridge, J.E., Williams, C., Whittaker, S.B.-M., Crump, M.P., Allemann, R.K.
Deposit date:2012-02-03
Release date:2012-04-18
Last modified:2012-05-23
Method:SOLUTION NMR
Cite:NMR Solution Structure of a Photoswitchable Apoptosis Activating Bak Peptide Bound to Bcl-x(L).
J.Am.Chem.Soc., 134, 2012
2LPC
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NMR STRUCTURE OF BCL-XL
Descriptor:Bcl-2-like protein 1
Authors:Wysoczanski, P., Mart, R.J., Loveridge, J.E., Williams, C., Whittaker, S.B.-M., Crump, M.P., Allemann, R.K.
Deposit date:2012-02-09
Release date:2012-03-21
Last modified:2012-05-23
Method:SOLUTION NMR
Cite:NMR Solution Structure of a Photoswitchable Apoptosis Activating Bak Peptide Bound to Bcl-x(L).
J.Am.Chem.Soc., 134, 2012
3CKE
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CRYSTAL STRUCTURE OF ARISTOLOCHENE SYNTHASE IN COMPLEX WITH 12,13-DIFLUOROFARNESYL DIPHOSPHATE
Descriptor:Aristolochene synthase, CHLORIDE ION, (2E,6E)-12-fluoro-11-(fluoromethyl)-3,7-dimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate, ...
Authors:Shishova, E.Y., Yu, F., Miller, D.J., Faraldos, J.A., Zhao, Y., Coates, R.M., Allemann, R.K., Cane, D.E., Christianson, D.W.
Deposit date:2008-03-14
Release date:2008-04-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:X-ray Crystallographic Studies of Substrate Binding to Aristolochene Synthase Suggest a Metal Ion Binding Sequence for Catalysis.
J.Biol.Chem., 283, 2008
3G4D
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CRYSTAL STRUCTURE OF (+)-DELTA-CADINENE SYNTHASE FROM GOSSYPIUM ARBOREUM AND EVOLUTIONARY DIVERGENCE OF METAL BINDING MOTIFS FOR CATALYSIS
Descriptor:(+)-delta-cadinene synthase isozyme XC1, BETA-MERCAPTOETHANOL, GLYCEROL
Authors:Gennadios, H.A., Di Costanzo, L., Miller, D.J., Allemann, R.K., Christianson, D.W.
Deposit date:2009-02-03
Release date:2009-06-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.403 Å)
Cite:Crystal structure of (+)-delta-cadinene synthase from Gossypium arboreum and evolutionary divergence of metal binding motifs for catalysis.
Biochemistry, 48, 2009
3IA5
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MORITELLA PROFUNDA DIHYDROFOLATE REDUCTASE (DHFR)
Descriptor:Dihydrofolate reductase, PHOSPHATE ION
Authors:Hay, S., Evans, R.M., Levy, C., Wang, X., Loveridge, E.J., Leys, D., Allemann, R.K., Scrutton, N.S.
Deposit date:2009-07-13
Release date:2009-07-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Are the Catalytic Properties of Enzymes from Piezophilic Organisms Pressure Adapted?
Chembiochem, 10, 2009
4KUX
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CRYSTAL STRUCTURE OF ASPERGILLUS TERREUS ARISTOLOCHENE SYNTHASE COMPLEXED WITH FARNESYL THIOLODIPHOSPHATE (FSPP)
Descriptor:Aristolochene synthase, MAGNESIUM ION, S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE, ...
Authors:Chen, M., Faraldos, J.A., Al-lami, N., Janvier, M., D'Antonio, E.L., Cane, D.E., Allemann, R.K., Christianson, D.W.
Deposit date:2013-05-22
Release date:2013-08-14
Last modified:2013-08-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanistic insights from the binding of substrate and carbocation intermediate analogues to aristolochene synthase.
Biochemistry, 52, 2013
4KVD
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CRYSTAL STRUCTURE OF ASPERGILLUS TERREUS ARISTOLOCHENE SYNTHASE COMPLEXED WITH (4AS,7S)-1,4A-DIMETHYL-7-(PROP-1-EN-2-YL)DECAHYDROQUINOLIN-1-IUM
Descriptor:Aristolochene synthase, PYROPHOSPHATE 2-, MAGNESIUM ION, ...
Authors:Chen, M., Faraldos, J.A., Al-lami, N., Janvier, M., D'Antonio, E.L., Cane, D.E., Allemann, R.K., Christianson, D.W.
Deposit date:2013-05-22
Release date:2013-08-14
Last modified:2013-08-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Mechanistic insights from the binding of substrate and carbocation intermediate analogues to aristolochene synthase.
Biochemistry, 52, 2013
4KVI
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CRYSTAL STRUCTURE OF ASPERGILLUS TERREUS ARISTOLOCHENE SYNTHASE COMPLEXED WITH (4AS,7S)-4A-METHYL-7-(PROP-1-EN-2-YL)-2,3,4,4A,5,6,7,8-OCTAHYDROQUINOLIN-1-IUM
Descriptor:Aristolochene synthase, MAGNESIUM ION, PYROPHOSPHATE 2-, ...
Authors:Chen, M., Faraldos, J.A., Al-lami, N., Janvier, M., D'Antonio, E.L., Cane, D.E., Allemann, R.K., Christianson, D.W.
Deposit date:2013-05-22
Release date:2013-08-14
Last modified:2013-08-28
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Mechanistic insights from the binding of substrate and carbocation intermediate analogues to aristolochene synthase.
Biochemistry, 52, 2013
4KVW
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CRYSTAL STRUCTURE OF ASPERGILLUS TERREUS ARISTOLOCHENE SYNTHASE COMPLEXED WITH (3R,6R,9AR)-6,9A-DIMETHYL-3-(PROP-1-EN-2-YL)DECAHYDROQUINOLIZIN-5-IUM
Descriptor:Aristolochene synthase, PYROPHOSPHATE 2-, MAGNESIUM ION, ...
Authors:Chen, M., Al-lami, N., Janvier, M., D'Antonio, E.L., Faraldos, J.A., Cane, D.E., Allemann, R.K., Christianson, D.W.
Deposit date:2013-05-23
Release date:2013-08-14
Last modified:2013-08-28
Method:X-RAY DIFFRACTION (2.102 Å)
Cite:Mechanistic insights from the binding of substrate and carbocation intermediate analogues to aristolochene synthase.
Biochemistry, 52, 2013
4KVY
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CRYSTAL STRUCTURE OF ASPERGILLUS TERREUS ARISTOLOCHENE SYNTHASE COMPLEXED WITH (1S,8S,9AR)-1,9A-DIMETHYL-8-(PROP-1-EN-2-YL)DECAHYDROQUINOLIZIN-5-IUM
Descriptor:Aristolochene synthase, PYROPHOSPHATE 2-, MAGNESIUM ION, ...
Authors:Chen, M., Al-lami, N., Janvier, M., D'Antonio, E.L., Faraldos, J.A., Cane, D.E., Allemann, R.K., Christianson, D.W.
Deposit date:2013-05-23
Release date:2013-08-14
Last modified:2013-08-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Mechanistic insights from the binding of substrate and carbocation intermediate analogues to aristolochene synthase.
Biochemistry, 52, 2013
4KWD
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CRYSTAL STRUCTURE OF ASPERGILLUS TERREUS ARISTOLOCHENE SYNTHASE COMPLEXED WITH (1R,8R,9AS)-1,9A-DIMETHYL-8-(PROP-1-EN-2-YL)DECAHYDROQUINOLIZIN-5-IUM
Descriptor:Aristolochene synthase, PYROPHOSPHATE 2-, MAGNESIUM ION, ...
Authors:Chen, M., Al-lami, N., Janvier, M., D'Antonio, E.L., Faraldos, J.A., Cane, D.E., Allemann, R.K., Christianson, D.W.
Deposit date:2013-05-23
Release date:2013-08-14
Last modified:2013-08-28
Method:X-RAY DIFFRACTION (1.857 Å)
Cite:Mechanistic insights from the binding of substrate and carbocation intermediate analogues to aristolochene synthase.
Biochemistry, 52, 2013
4PHJ
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THE STRUCTURAL BASIS OF DIFFERENTIAL INHIBITION OF HUMAN CALPAIN BY INDOLE AND PHENYL ALPHA-MERCAPTOACRYLIC ACIDS: HUMAN UNLIGANDED PROTEIN
Descriptor:Calpain small subunit 1, CALCIUM ION
Authors:Adams, S.E., Rizkallah, P.J., Allemann, R.K., Miller, D.J., Hallett, M.B., Robinson, E.
Deposit date:2014-05-06
Release date:2014-08-13
Last modified:2014-09-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The structural basis of differential inhibition of human calpain by indole and phenyl alpha-mercaptoacrylic acids.
J.Struct.Biol., 187, 2014
4PHK
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THE STRUCTURAL BASIS OF DIFFERENTIAL INHIBITION OF HUMAN CALPAIN BY INDOLE AND PHENYL ALPHA-MERCAPTOACRYLIC ACIDS. THE COMPLEX WITH (Z)-3-(4-CHLOROPHENYL)-2-MERCAPTOACRYLIC ACID
Descriptor:Calpain small subunit 1, (Z)-3-(4-chlorophenyl)-2-mercaptoacrylic acid, CALCIUM ION
Authors:Rizkallah, P.J., Allemann, R.K., Adams, S.E., Miller, D.J., Hallett, M.B., Robinson, E.
Deposit date:2014-05-06
Release date:2014-08-13
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The structural basis of differential inhibition of human calpain by indole and phenyl alpha-mercaptoacrylic acids.
J.Struct.Biol., 187, 2014
4PHM
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THE STRUCTURAL BASIS OF DIFFERENTIAL INHIBITION OF HUMAN CALPAIN BY INDOLE AND PHENYL ALPHA-MERCAPTOACRYLIC ACIDS
Descriptor:Calpain small subunit 1, 3-(5-bromo-1H-indol-3-yl)-2-thioxopropanoic acid, CALCIUM ION
Authors:Rizkallah, P.J., Allemann, R.K., Adams, S.E., Miller, D.J., Hallett, M.B.
Deposit date:2014-05-06
Release date:2014-08-13
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:The structural basis of differential inhibition of human calpain by indole and phenyl alpha-mercaptoacrylic acids.
J.Struct.Biol., 187, 2014
4WQ2
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HUMAN CALPAIN PEF(S) WITH (Z)-3-(6-BROMONDOL-3-YL)-2-MERCAPTOACRYLIC ACID BOUND
Descriptor:Calpain small subunit 1, (2Z)-3-(6-bromo-1H-indol-3-yl)-2-sulfanylprop-2-enoic acid, CALCIUM ION, ...
Authors:Adams, S.E., Rizkallah, P.J., Miller, D.J., Hallett, M.B., Allemann, R.K.
Deposit date:2014-10-21
Release date:2015-09-02
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Conformationally restricted calpain inhibitors.
Chem Sci, 6, 2015
4WQ3
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HUMAN CALPAIN PEF(S) WITH (2Z,2Z')-2,2'-DISULFANEDIYLBIS(3-(6-BROMOINDOL-3-YL)ACRYLIC ACID) BOUND
Descriptor:Calpain small subunit 1, CALCIUM ION, (2Z)-3-(6-bromo-1H-indol-3-yl)-2-sulfanylprop-2-enoic acid
Authors:Adams, S.E., Robinson, E.J., Rizkallah, P.J., Miller, D.J., Hallett, M.B., Allemann, R.K.
Deposit date:2014-10-21
Release date:2015-09-02
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Conformationally restricted calpain inhibitors.
Chem Sci, 6, 2015
5D69
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HUMAN CALPAIN PEF(S) WITH (2Z,2Z')-2,2'-DISULFANEDIYLBIS(3-(6-IODOINDOL-3-YL)ACRYLIC ACID) BOUND
Descriptor:Calpain small subunit 1, CALCIUM ION, (2E,2'Z)-2,2'-disulfanediylbis[3-(4-iodophenyl)prop-2-enoic acid], ...
Authors:Adams, S.E., Robinson, E.J., Rizkallah, P.J., Miller, D.J., Hallett, M.B., Allemann, R.K.
Deposit date:2015-08-11
Release date:2015-09-02
Last modified:2017-08-16
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Conformationally restricted calpain inhibitors.
Chem Sci, 6, 2015
3BNX
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CRYSTAL STRUCTURE OF ARISTOLOCHENE SYNTHASE COMPLEXED WITH FARNESYL DIPHOSPHATE
Descriptor:Aristolochene synthase, BETA-MERCAPTOETHANOL, FARNESYL DIPHOSPHATE, ...
Authors:Shishova, E.Y., Christianson, D.W.
Deposit date:2007-12-14
Release date:2008-03-25
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:X-ray Crystallographic Studies of Substrate Binding to Aristolochene Synthase Suggest a Metal Ion Binding Sequence for Catalysis
J.Biol.Chem., 283, 2008
3BNY
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CRYSTAL STRUCTURE OF ARISTOLOCHENE SYNTHASE COMPLEXED WITH 2-FLUOROFARNESYL DIPHOSPHATE (2F-FPP)
Descriptor:Aristolochene synthase, (2Z,6E)-2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate, CHLORIDE ION, ...
Authors:Shishova, E.Y., Christianson, D.W.
Deposit date:2007-12-14
Release date:2008-03-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:X-ray Crystallographic Studies of Substrate Binding to Aristolochene Synthase Suggest a Metal Ion Binding Sequence for Catalysis
J.Biol.Chem., 283, 2008
3G4F
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CRYSTAL STRUCTURE OF (+)- -CADINENE SYNTHASE FROM GOSSYPIUM ARBOREUM IN COMPLEX WITH 2-FLUOROFARNESYL DIPHOSPHATE
Descriptor:(+)-delta-cadinene synthase isozyme XC1, BETA-MERCAPTOETHANOL, (2Z,6E)-2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate, ...
Authors:Gennadios, H.A., Di Costanzo, L., Christianson, D.W.
Deposit date:2009-02-03
Release date:2009-06-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.651 Å)
Cite:Crystal structure of (+)-delta-cadinene synthase from Gossypium arboreum and evolutionary divergence of metal binding motifs for catalysis.
Biochemistry, 48, 2009
3IA4
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MORITELLA PROFUNDA DIHYDROFOLATE REDUCTASE (DHFR) IN COMPLEX WITH NADPH AND METHOTREXATE (MTX)
Descriptor:Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, METHOTREXATE
Authors:Levy, C.
Deposit date:2009-07-13
Release date:2009-07-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Are the Catalytic Properties of Enzymes from Piezophilic Organisms Pressure Adapted?
Chembiochem, 10, 2009
4FJQ
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CRYSTAL STRUCTURE OF AN ALPHA-BISABOLOL SYNTHASE
Descriptor:Amorpha-4,11-diene synthase
Authors:Jianxu, L., Peng, Z.
Deposit date:2012-06-12
Release date:2013-03-13
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.0001 Å)
Cite:Rational engineering of plasticity residues of sesquiterpene synthases from Artemisia annua: product specificity and catalytic efficiency.
Biochem.J., 451, 2013
4GAX
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CRYSTAL STRUCTURE OF AN ALPHA-BISABOLOL SYNTHASE MUTANT
Descriptor:Amorpha-4,11-diene synthase
Authors:Li, J., Peng, Z.
Deposit date:2012-07-26
Release date:2013-03-13
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.9948 Å)
Cite:Rational engineering of plasticity residues of sesquiterpene synthases from Artemisia annua: product specificity and catalytic efficiency.
Biochem.J., 451, 2013
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