Author results

2JJI
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ENDOTHIAPEPSIN IN COMPLEX WITH A GEM-DIOL INHIBITOR.
Descriptor:ENDOTHIAPEPSIN, N~2~-[(2R)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-{(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide, SULFATE ION
Authors:Coates, L., Tuan, H.-F., Tomanicek, S.J., Kovalevsky, A., Mustyakimov, M., Erskine, P., Cooper, J.
Deposit date:2008-04-09
Release date:2008-05-27
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:The Catalytic Mechanism of an Aspartic Proteinase Explored with Neutron and X-Ray Diffraction
J.Am.Chem.Soc., 130, 2008
2JJJ
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ENDOTHIAPEPSIN IN COMPLEX WITH A GEM-DIOL INHIBITOR.
Descriptor:ENDOTHIAPEPSIN, N~2~-[(2R)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-{(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide, SULFATE ION
Authors:Coates, L., Tuan, H.-F., Tomanicek, S.J., Kovalevsky, A., Mustyakimov, M., Erskine, P., Cooper, J.
Deposit date:2008-04-09
Release date:2008-05-27
Last modified:2013-09-25
Method:X-RAY DIFFRACTION (1 Å)
Cite:The Catalytic Mechanism of an Aspartic Proteinase Explored with Neutron and X-Ray Diffraction
J.Am.Chem.Soc., 130, 2008
2VS2
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NEUTRON DIFFRACTION STRUCTURE OF ENDOTHIAPEPSIN IN COMPLEX WITH A GEM- DIOL INHIBITOR.
Descriptor:ENDOTHIAPEPSIN, N~2~-[(2R)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-{(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide
Authors:Coates, L., Tuan, H.-F., Tomanicek, S., Kovalevsky, A., Mustyakimov, M., Erskine, P., Cooper, J.
Deposit date:2008-04-17
Release date:2008-05-27
Last modified:2018-11-14
Method:NEUTRON DIFFRACTION (2 Å)
Cite:The Catalytic Mechanism of an Aspartic Proteinase Explored with Neutron and X-Ray Diffraction
J.Am.Chem.Soc., 130, 2008
1GKT
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NEUTRON LAUE DIFFRACTION STRUCTURE OF ENDOTHIAPEPSIN COMPLEXED WITH TRANSITION STATE ANALOGUE INHIBITOR H261
Descriptor:ENDOTHIAPEPSIN, INHIBITOR, H261
Authors:Coates, L., Erskine, P.T., Wood, S.P., Myles, D.A.A., Cooper, J.B.
Deposit date:2001-08-20
Release date:2001-11-20
Last modified:2018-02-14
Method:NEUTRON DIFFRACTION (2.1 Å)
Cite:A Neutron Laue Diffraction Study of Endothiapepsin: Implications for the Aspartic Proteinase Mechanism
Biochemistry, 40, 2001
1GVT
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ENDOTHIAPEPSIN COMPLEX WITH CP-80,794
Descriptor:ENDOTHIAPEPSIN, N-(morpholin-4-ylcarbonyl)-L-phenylalanyl-N-[(1R,2S)-1-(cyclohexylmethyl)-2-hydroxy-3-(1-methylethoxy)-3-oxopropyl]-S-methyl-L-cysteinamide, SULFATE ION
Authors:Coates, L., Erskine, P.T., Crump, M.P., Wood, S.P., Cooper, J.B.
Deposit date:2002-02-27
Release date:2002-07-04
Last modified:2012-11-30
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Five Atomic Resolution Structures of Endothiapepsin Inhibitor Complexes: Implications for the Aspartic Proteinase Mechanism
J.Mol.Biol., 318, 2002
1GVU
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ENDOTHIAPEPSIN COMPLEX WITH H189
Descriptor:ENDOTHIAPEPSIN, INHIBITOR, H189, ...
Authors:Coates, L., Erskine, P.T., Crump, M.P., Wood, S.P., Cooper, J.B.
Deposit date:2002-02-27
Release date:2002-07-04
Last modified:2013-03-06
Method:X-RAY DIFFRACTION (0.94 Å)
Cite:Five Atomic Resolution Structures of Endothiapepsin Inhibitor Complexes: Implications for the Aspartic Proteinase Mechanism
J.Mol.Biol., 318, 2002
1GVV
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FIVE ATOMIC RESOLUTION STRUCTURES OF ENDOTHIAPEPSIN INHIBITOR COMPLEXES; IMPLICATIONS FOR THE ASPARTIC PROTEINASE MECHANISM
Descriptor:ENDOTHIAPEPSIN, N-[(5S,9S,10S,13S)-9-hydroxy-5,10-bis(2-methylpropyl)-4,7,12,16-tetraoxo-3,6,11,17-tetraazabicyclo[17.3.1]tricosa-1(23),19,21-trien-13-yl]-3-(naphthalen-1-yl)-2-(naphthalen-1-ylmethyl)propanamide, SULFATE ION
Authors:Coates, L., Erskine, P.T., Crump, M.P., Wood, S.P., Cooper, J.B.
Deposit date:2002-02-27
Release date:2002-07-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Five Atomic Resolution Structures of Endothiapepsin Inhibitor Complexes: Implications for the Aspartic Proteinase Mechanism
J.Mol.Biol., 318, 2002
1GVW
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ENDOTHIAPEPSIN COMPLEX WITH PD-130,328
Descriptor:ENDOTHIAPEPSIN, N-(tert-butoxycarbonyl)-L-phenylalanyl-N-{(1S)-1-[(R)-hydroxy(2-{[(2S)-2-methylbutyl]amino}-2-oxoethyl)phosphoryl]-3-methylbutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide, SULFATE ION
Authors:Coates, L., Erskine, P.T., Crump, M.P., Wood, S.P., Cooper, J.B.
Deposit date:2002-02-27
Release date:2002-07-04
Last modified:2012-11-30
Method:X-RAY DIFFRACTION (1 Å)
Cite:Five Atomic Resolution Structures of Endothiapepsin Inhibitor Complexes: Implications for the Aspartic Proteinase Mechanism
J.Mol.Biol., 318, 2002
1GVX
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ENDOTHIAPEPSIN COMPLEXED WITH H256
Descriptor:ENDOTHIAPEPSIN, INHIBITOR H256, SULFATE ION
Authors:Coates, L., Erskine, P.T., Crump, M.P., Wood, S.P., Cooper, J.B.
Deposit date:2002-02-27
Release date:2002-07-04
Last modified:2016-12-21
Method:X-RAY DIFFRACTION (1 Å)
Cite:Five Atomic Resolution Structures of Endothiapepsin Inhibitor Complexes: Implications for the Aspartic Proteinase Mechanism
J.Mol.Biol., 318, 2002
1OD1
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ENDOTHIAPEPSIN PD135,040 COMPLEX
Descriptor:ENDOTHIAPEPSIN, N~2~-[(2R)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-{(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide, SULFATE ION
Authors:Coates, L., Erskine, P.T., Mall, S., Gill, R.S., Wood, S.P., Cooper, J.B.
Deposit date:2003-02-12
Release date:2003-06-12
Last modified:2012-11-30
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:The Structure of Endothiapepsin Complexed with the Gem-Diol Inhibitor Pd-135,040 at 1.37 A
Acta Crystallogr.,Sect.D, 59, 2003
1W1Z
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STRUCTURE OF THE PLANT LIKE 5-AMINOLAEVULINIC ACID DEHYDRATASE FROM CHLOROBIUM VIBRIOFORME
Descriptor:DELTA-AMINOLEVULINIC ACID DEHYDRATASE, LAEVULINIC ACID, MAGNESIUM ION
Authors:Coates, L., Beaven, G., Erskine, P.T., Beale, S.I., Avissar, Y.J., Gill, R., Mohammed, F., Wood, S.P., Shoolingin-Jordan, P., Cooper, J.B.
Deposit date:2004-06-24
Release date:2004-09-02
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The X-ray structure of the plant like 5-aminolaevulinic acid dehydratase from Chlorobium vibrioforme complexed with the inhibitor laevulinic acid at 2.6 A resolution.
J. Mol. Biol., 342, 2004
2C1H
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THE X-RAY STRUCTURE OF CHLOROBIUM VIBRIOFORME 5-AMINOLAEVULINIC ACID DEHYDRATASE COMPLEXED WITH A DIACID INHIBITOR
Descriptor:DELTA-AMINOLEVULINIC ACID DEHYDRATASE, MAGNESIUM ION, 4,7-DIOXOSEBACIC ACID
Authors:Coates, L., Beaven, G., Erskine, P.T., Beale, S., Wood, S.P., Shoolingin-Jordan, P.M., Cooper, J.B.
Deposit date:2005-09-14
Release date:2005-12-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of Chlorobium Vibrioforme 5-Aminolaevulinic Acid Dehydratase Complexed with a Diacid Inhibitor.
Acta Crystallogr.,Sect.D, 61, 2005
4C3Q
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NEUTRON STRUCTURE OF A PERDEUTERATED TOHO-1 R274N R276N DOUBLE MUTANT BETA-LACTAMASE IN COMPLEX WITH A FULLY DEUTERATED BORONIC ACID (BZB) AT 100K
Descriptor:BETA-LACTAMASE TOHO-1, BENZO[B]THIOPHENE-2-BORONIC ACID
Authors:Coates, L., Tomanicek, S.J., Schrader, T., Weiss, K.L., Ng, J.D., Ostermann, A.
Deposit date:2013-08-26
Release date:2014-07-09
Last modified:2017-03-22
Method:NEUTRON DIFFRACTION (2.2 Å)
Cite:Cryogenic Neutron Protein Crystallography: Routine Methods and Potential Benefits
J.Appl.Crystallogr., 47, 2014
5KMW
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TOHO1 BETA LACTAMASE MUTANT E166A/R274N/R276N -BENZYL PENICILLIN COMPLEX
Descriptor:Beta-lactamase Toho-1, SULFATE ION, OPEN FORM - PENICILLIN G, ...
Authors:Coates, L., Langan, P.S., Vandavasi, V.G., Weiss, K.L., Cooper, J.B., Ginell, S.L.
Deposit date:2016-06-27
Release date:2017-03-01
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:TOHO1 Beta lactamase mutant E166A/R274N/R276N -benzyl penicillin complex
to be published
1OEW
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ATOMIC RESOLUTION STRUCTURE OF NATIVE ENDOTHIAPEPSIN
Descriptor:ENDOTHIAPEPSIN, SERINE, THREONINE, ...
Authors:Coates, L., Erskine, P.T., Mall, S., Gill, R.S., Wood, S.P., Myles, D.A.A., Cooper, J.B.
Deposit date:2003-03-31
Release date:2003-04-02
Last modified:2018-06-20
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:Atomic Resolution Analysis of the Catalytic Site of an Aspartic Proteinase and an Unexpected Mode of Binding by Short Peptides
Protein Sci., 12, 2003
1OEX
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ATOMIC RESOLUTION STRUCTURE OF ENDOTHIAPEPSIN IN COMPLEX WITH A HYDROXYETHYLENE TRANSITION STATE ANALOGUE INHIBITOR H261
Descriptor:ENDOTHIAPEPSIN, INHIBITOR H261, GLYCEROL, ...
Authors:Coates, L., Erskine, P.T., Mall, S., Gill, R.S., Wood, S.P., Myles, D.A.A., Cooper, J.B.
Deposit date:2003-03-31
Release date:2003-04-02
Last modified:2017-02-08
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Atomic Resolution Analysis of the Catalytic Site of an Aspartic Proteinase and an Unexpected Mode of Binding by Short Peptides
Protein Sci., 12, 2003
6C79
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CONFORMATIONAL CHANGES IN A CLASS A BETA LACTAMASE THAT PRIME IT FOR CATALYSIS
Descriptor:Beta-lactamase Toho-1, (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, SULFATE ION
Authors:Coates, L., Langan, P.S., Vandavasi, V.G., Cooper, S.J., Weiss, K.L., Ginell, S.L., Parks, J.M.
Deposit date:2018-01-22
Release date:2018-03-21
Last modified:2019-01-23
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Substrate Binding Induces Conformational Changes in a Class A Beta-lactamase That Prime It for Catalysis
Acs Catalysis, 8, 2018
6C7A
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CONFORMATIONAL CHANGES IN A CLASS A BETA LACTAMASE THAT PRIME IT FOR CATALYSIS
Descriptor:Beta-lactamase Toho-1, SULFATE ION
Authors:Coates, L., Langan, P.S., Vandavasi, V.G., Cooper, S.J., Weiss, K.L., Ginell, S.L., Parks, J.M.
Deposit date:2018-01-22
Release date:2018-03-21
Last modified:2019-01-23
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Substrate Binding Induces Conformational Changes in a Class A Beta-lactamase That Prime It for Catalysis
Acs Catalysis, 8, 2018
4XPV
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NEUTRON AND X-RAY STRUCTURE ANALYSIS OF XYLANASE: N44D AT PH6
Descriptor:Endo-1,4-beta-xylanase 2, IODIDE ION
Authors:Wan, Q., Park, J.M., Riccardi, D.M., Hanson, L.B., Fisher, Z., Smith, J.C., Ostermann, A., Schrader, T., Graham, D.E., Coates, L., Langan, P., Kovalevsky, A.Y.
Deposit date:2015-01-18
Release date:2015-09-30
Last modified:2018-04-25
Method:X-RAY DIFFRACTION (1.7 Å), NEUTRON DIFFRACTION
Cite:Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
4XQ4
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X-RAY STRUCTURE ANALYSIS OF XYLANASE - N44D
Descriptor:Endo-1,4-beta-xylanase 2, IODIDE ION
Authors:Wan, Q., Park, J.M., Riccardi, D.M., Hanson, L.B., Fisher, Z., Smith, J.C., Ostermann, A., Schrader, T., Graham, D.E., Coates, L., Langan, P., Kovalevsky, A.Y.
Deposit date:2015-01-19
Release date:2015-09-23
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
4XQD
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X-RAY STRUCTURE ANALYSIS OF XYLANASE-WT AT PH4.0
Descriptor:Endo-1,4-beta-xylanase 2, IODIDE ION, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
Authors:Wan, Q., Park, J.M., Riccardi, D.M., Hanson, L.B., Fisher, Z., Smith, J.C., Ostermann, A., Schrader, T., Graham, D.E., Coates, L., Langan, P., Kovalevsky, A.Y.
Deposit date:2015-01-19
Release date:2015-09-23
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
4XQW
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X-RAY STRUCTURE ANALYSIS OF XYLANASE-N44E WITH MES AT PH6.0
Descriptor:Endo-1,4-beta-xylanase 2, IODIDE ION, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID
Authors:Wan, Q., Park, J.M., Riccardi, D.M., Hanson, L.B., Fisher, Z., Smith, J.C., Ostermann, A., Schrader, T., Graham, D.E., Coates, L., Langan, P., Kovalevsky, A.Y.
Deposit date:2015-01-20
Release date:2015-09-23
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
6EYM
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NEUTRON CRYSTAL STRUCTURE OF PERDEUTERATED GALECTIN-3C IN COMPLEX WITH LACTOSE
Descriptor:Galectin-3, BETA-LACTOSE
Authors:Manzoni, F., Coates, L., Blakeley, M.P., Oksanen, E., Logan, D.T.
Deposit date:2017-11-13
Release date:2018-09-12
Last modified:2018-12-12
Method:X-RAY DIFFRACTION (1.7 Å), NEUTRON DIFFRACTION
Cite:Elucidation of Hydrogen Bonding Patterns in Ligand-Free, Lactose- and Glycerol-Bound Galectin-3C by Neutron Crystallography to Guide Drug Design.
J. Med. Chem., 61, 2018
4CZS
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DISCOVERY OF GLYCOMIMETIC LIGANDS VIA GENETICALLY-ENCODED LIBRARY OF PHAGE DISPLAYING MANNOSE-PEPTIDES
Descriptor:CONCANAVALIN-A, MAN-WYD, CALCIUM ION, ...
Authors:Ng, S., Lin, E., Tjhung, K.F., Gerlits, O., Sood, A., Kasper, B., Deng, L., Kitov, P.I., Matochko, W.L., Paschal, B.M., Noren, C.J., Klassen, J., Mahal, L.K., Coates, L., Woods, R.J., Derda, R.
Deposit date:2014-04-22
Release date:2015-04-22
Last modified:2015-07-08
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Genetically-Encoded Fragment-Based Discovery of Glycopeptide Ligands for Carbohydrate-Binding Proteins.
J.Am.Chem.Soc., 137, 2015
1EB3
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YEAST 5-AMINOLAEVULINIC ACID DEHYDRATASE 4,7-DIOXOSEBACIC ACID COMPLEX
Descriptor:5-AMINOLAEVULINIC ACID DEHYDRATASE, 4,7-DIOXOSEBACIC ACID, ZINC ION
Authors:Erskine, P.T., Coates, L., Newbold, R., Brindley, A.A., Stauffer, F., Wood, S.P., Warren, M.J., Cooper, J.B., Shoolingin-Jordan, P.M., Neier, R.
Deposit date:2001-07-18
Release date:2001-08-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The X-Ray Structure of Yeast 5-Aminolaevulinic Acid Dehydratase Complexed with Two Diacid Inhibitors
FEBS Lett., 503, 2001