Author results

1K30
  • Download 1k30
  • View 1k30
Molmil generated image of 1k30
CRYSTAL STRUCTURE ANALYSIS OF SQUASH (CUCURBITA MOSCHATA) GLYCEROL-3-PHOSPHATE (1)-ACYLTRANSFERASE
Descriptor:glycerol-3-phosphate acyltransferase
Authors:Turnbull, A.P., Rafferty, J.B., Sedelnikova, S.E., Slabas, A.R., Schierer, T.P., Kroon, J.T., Simon, J.W., Fawcett, T., Nishida, I., Murata, N., Rice, D.W.
Deposit date:2001-10-01
Release date:2001-10-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Analysis of the structure, substrate specificity, and mechanism of squash glycerol-3-phosphate (1)-acyltransferase.
Structure, 9, 2001
1SZ7
  • Download 1sz7
  • View 1sz7
Molmil generated image of 1sz7
CRYSTAL STRUCTURE OF HUMAN BET3
Descriptor:Trafficking protein particle complex subunit 3, PALMITIC ACID
Authors:Turnbull, A.P., Prinz, B., Holz, C., Behlke, J., Schultchen, J., Delbrueck, H., Niesen, F.H., Lang, C., Heinemann, U.
Deposit date:2004-04-05
Release date:2005-01-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure of palmitoylated BET3: insights into TRAPP complex assembly and membrane localization
Embo J., 24, 2005
1ZSV
  • Download 1zsv
  • View 1zsv
Molmil generated image of 1zsv
CRYSTAL STRUCTURE OF HUMAN NADP-DEPENDENT LEUKOTRIENE B4 12-HYDROXYDEHYDROGENASE
Descriptor:NADP-dependent leukotriene B4 12-hydroxydehydrogenase, CHLORIDE ION
Authors:Turnbull, A.P., Johansson, C., Savitsky, P., Guo, K., Edwards, A., Arrowsmith, C., Sundstrom, M., von Delft, F., Oppermann, U., Structural Genomics Consortium (SGC)
Deposit date:2005-05-25
Release date:2005-06-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of human NADP-dependent leukotriene B4 12-hydroxydehydrogenase
To be Published
2ATV
  • Download 2atv
  • View 2atv
Molmil generated image of 2atv
THE CRYSTAL STRUCTURE OF HUMAN RERG IN THE GDP BOUND STATE
Descriptor:RAS-like estrogen-regulated growth inhibitor, MAGNESIUM ION, GUANOSINE-5'-DIPHOSPHATE
Authors:Turnbull, A.P., Salah, E., Schoch, G., Elkins, J., Burgess, N., Gileadi, O., von Delft, F., Weigelt, J., Edwards, A., Arrowsmith, C., Sundstrom, M., Doyle, D., Structural Genomics Consortium (SGC)
Deposit date:2005-08-26
Release date:2005-10-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The crystal structure of human RERG in the GDP bound state
To be Published
2FN4
  • Download 2fn4
  • View 2fn4
Molmil generated image of 2fn4
THE CRYSTAL STRUCTURE OF HUMAN RAS-RELATED PROTEIN, RRAS, IN THE GDP-BOUND STATE
Descriptor:Ras-related protein R-Ras, MAGNESIUM ION, GUANOSINE-5'-DIPHOSPHATE
Authors:Turnbull, A.P., Elkins, J.M., Gileadi, C., Burgess, N., Salah, E., Papagrigoriou, E., Debreczeni, J., von Delft, F., Weigelt, J., Edwards, A., Arrowsmith, C., Sundstrom, M., Doyle, D., Structural Genomics Consortium (SGC)
Deposit date:2006-01-10
Release date:2006-01-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The crystal structure of human Ras-related protein, RRAS, in the GDP-bound state
To be Published
2FV8
  • Download 2fv8
  • View 2fv8
Molmil generated image of 2fv8
THE CRYSTAL STRUCTURE OF RHOB IN THE GDP-BOUND STATE
Descriptor:Rho-related GTP-binding protein RhoB, GUANOSINE-5'-DIPHOSPHATE
Authors:Turnbull, A.P., Soundararajan, M., Smee, C., Johansson, C., Schoch, G., Gorrec, F., Bray, J., Papagrigoriou, E., von Delft, F., Weigelt, J., Edwards, A., Arrowsmith, C., Sundstrom, M., Doyle, D., Structural Genomics Consortium (SGC)
Deposit date:2006-01-30
Release date:2006-02-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The crystal structure of RhoB in the GDP-bound state
To be Published
2G76
  • Download 2g76
  • View 2g76
Molmil generated image of 2g76
CRYSTAL STRUCTURE OF HUMAN 3-PHOSPHOGLYCERATE DEHYDROGENASE
Descriptor:D-3-phosphoglycerate dehydrogenase, D-MALATE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Turnbull, A.P., Salah, E., Savitsky, P., Gileadi, O., von Delft, F., Edwards, A., Arrowsmith, C., Weigelt, J., Sundstrom, M., Oppermann, U., Structural Genomics Consortium (SGC)
Deposit date:2006-02-27
Release date:2006-03-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of human 3-phosphoglycerate dehydrogenase
To be Published
2GF0
  • Download 2gf0
  • View 2gf0
Molmil generated image of 2gf0
THE CRYSTAL STRUCTURE OF THE HUMAN DIRAS1 GTPASE IN THE INACTIVE GDP BOUND STATE
Descriptor:GTP-binding protein Di-Ras1, MAGNESIUM ION, GUANOSINE-5'-DIPHOSPHATE
Authors:Turnbull, A.P., Papagrigoriou, E., Yang, X., Schoch, G., Elkins, J., Gileadi, O., Salah, E., Bray, J., Wen-Hwa, L., Fedorov, O., Niesen, F.E., von Delft, F., Weigelt, J., Edwards, A., Arrowsmith, C., Sundstrom, M., Doyle, D., Structural Genomics Consortium (SGC)
Deposit date:2006-03-21
Release date:2006-04-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The crystal structure of the human DiRas1 GTPase in the inactive GDP bound state
To be Published
2GJS
  • Download 2gjs
  • View 2gjs
Molmil generated image of 2gjs
THE CRYSTAL STRUCTURE OF HUMAN RRAD IN COMPLEX WITH GDP
Descriptor:GTP-binding protein RAD, MAGNESIUM ION, GUANOSINE-5'-DIPHOSPHATE
Authors:Turnbull, A.P., Yang, X., Soundararajan, M., Schoch, G., Debreczeni, J., Elkins, J.M., Gileadi, C., Berridge, G., Pantic, N., Burgess, N., Smee, C.E.A., Bray, J., von Delft, F., Weigelt, J., Edwards, A., Arrowsmith, C., Sundstrom, M., Doyle, D., Structural Genomics Consortium (SGC)
Deposit date:2006-03-31
Release date:2006-04-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The crystal structure of human RRAD in complex with GDP
To be Published
2HW5
  • Download 2hw5
  • View 2hw5
Molmil generated image of 2hw5
THE CRYSTAL STRUCTURE OF HUMAN ENOYL-COENZYME A (COA) HYDRATASE SHORT CHAIN 1, ECHS1
Descriptor:Enoyl-CoA hydratase, MAGNESIUM ION, CROTONYL COENZYME A
Authors:Turnbull, A.P., Salah, E., Niesen, F., Debreczeni, J., Ugochukwu, E., Pike, A.C.W., Kavanagh, K., Gileadi, O., Gorrec, F., Umeano, C., von Delft, F., Weigelt, J., Edwards, A., Arrowsmith, C., Sundstrom, M., Oppermann, U., Structural Genomics Consortium (SGC)
Deposit date:2006-07-31
Release date:2006-08-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:The crystal structure of human enoyl-coenzyme A (CoA) hydratase short chain 1, ECHS1
To be Published
2NZJ
  • Download 2nzj
  • View 2nzj
Molmil generated image of 2nzj
THE CRYSTAL STRUCTURE OF REM1 IN COMPLEX WITH GDP
Descriptor:GTP-binding protein REM 1, MAGNESIUM ION, CHLORIDE ION, ...
Authors:Turnbull, A.P., Papagrigoriou, E., Ugochukwu, E., Elkins, J.M., Soundararajan, M., Yang, X., Gorrec, F., Umeano, C., Salah, E., Burgess, N., Johansson, C., Berridge, G., Gileadi, O., Bray, J., Marsden, B., Watts, S., von Delft, F., Weigelt, J., Edwards, A., Arrowsmith, C.H., Sundstrom, M., Doyle, D., Structural Genomics Consortium (SGC)
Deposit date:2006-11-23
Release date:2006-12-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The crystal structure of REM1 in complex with GDP
To be Published
2P0A
  • Download 2p0a
  • View 2p0a
Molmil generated image of 2p0a
THE CRYSTAL STRUCTURE OF HUMAN SYNAPSIN III (SYN3) IN COMPLEX WITH AMPPNP
Descriptor:Synapsin-3, CHLORIDE ION, SULFATE ION, ...
Authors:Turnbull, A.P., Phillips, C., Pike, A.C.W., Elkins, J.M., Gileadi, C., Salah, E., Niesen, F.H., Burgess, N., Gileadi, O., Gorrec, F., Umeano, C., von Delft, F., Weigelt, J., Edwards, A., Arrowsmith, C.H., Sundstrom, M., Doyle, D., Structural Genomics Consortium (SGC)
Deposit date:2007-02-28
Release date:2007-03-27
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The crystal structure of human synapsin III (SYN3) in complex with AMPPNP
To be Published
2PD6
  • Download 2pd6
  • View 2pd6
Molmil generated image of 2pd6
STRUCTURE OF HUMAN HYDROXYSTEROID DEHYDROGENASE TYPE 8, HSD17B8
Descriptor:Estradiol 17-beta-dehydrogenase 8, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Turnbull, A.P., Salah, E., Gileadi, O., Savitsky, P., Guo, K., Bunkoczi, G., Pike, A.C.W., Ugochukwu, E., Umeano, C., von Delft, F., Weigelt, J., Arrowsmith, C.H., Sundstrom, M., Edwards, A., Oppermann, U., Structural Genomics Consortium (SGC)
Deposit date:2007-03-31
Release date:2007-05-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of human hydroxysteroid dehydrogenase type 8, HSD17B8
To be Published
5NGE
  • Download 5nge
  • View 5nge
Molmil generated image of 5nge
CRYSTAL STRUCTURE OF USP7 IN COMPLEX WITH THE NON-COVALENT INHIBITOR, FT671
Descriptor:Ubiquitin carboxyl-terminal hydrolase 7, 5-[[1-[(3~{S})-4,4-bis(fluoranyl)-3-(3-fluoranylpyrazol-1-yl)butanoyl]-4-oxidanyl-piperidin-4-yl]methyl]-1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-one
Authors:Turnbull, A.P., Krajewski, W.W., Ioannidis, S., Kessler, B.M., Komander, D.
Deposit date:2017-03-17
Release date:2017-10-18
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Molecular basis of USP7 inhibition by selective small-molecule inhibitors.
Nature, 550, 2017
2IHD
  • Download 2ihd
  • View 2ihd
Molmil generated image of 2ihd
CRYSTAL STRUCTURE OF HUMAN REGULATOR OF G-PROTEIN SIGNALING 8, RGS8
Descriptor:Regulator of G-protein signaling 8, CHLORIDE ION
Authors:Turnbull, A.P., Papagrigoriou, E., Ugochukwu, E., Salah, E., Gileadi, C., Burgess, N., Bhatia, C., Gileadi, O., Bray, J., Elkins, J., von Delft, F., Weigelt, J., Edwards, A., Arrowsmith, C., Sundstrom, M., Doyle, D.A., Structural Genomics Consortium (SGC)
Deposit date:2006-09-26
Release date:2006-11-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits.
Proc.Natl.Acad.Sci.Usa, 105, 2008
4FA3
  • Download 4fa3
  • View 4fa3
Molmil generated image of 4fa3
CRYSTAL STRUCTURE OF HUMAN 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 5 IN COMPLEX WITH (R)-1-(NAPHTHALEN-2-YLSULFONYL)PIPERIDINE-3-CARBOXYLIC ACID (86)
Descriptor:Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, (3R)-1-(naphthalen-2-ylsulfonyl)piperidine-3-carboxylic acid, ...
Authors:Turnbull, A.P., Jamieson, S.M.F., Brooke, D.G., Heinrich, D., Atwell, G.J., Silva, S., Hamilton, E.J., Rigoreau, L.J.M., Trivier, E., Soudy, C., Samlal, S.S., Owen, P.J., Schroeder, E., Raynham, T., Flanagan, J.U., Denny, W.A.
Deposit date:2012-05-21
Release date:2012-10-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:3-(3,4-Dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acids; a New Class of Highly Potent and Selective Inhibitors of the Type 5 17-beta-hydroxysteroid Dehydrogenase AKR1C3
J.Med.Chem., 55, 2012
4FAL
  • Download 4fal
  • View 4fal
Molmil generated image of 4fal
CRYSTAL STRUCTURE OF HUMAN 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 5 IN COMPLEX WITH 3-((3,4-DIHYDROISOQUINOLIN-2(1H)-YL)SULFONYL)-N-METHYLBENZAMIDE (80)
Descriptor:Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-N-methylbenzamide, ...
Authors:Turnbull, A.P., Jamieson, S.M.F., Brooke, D.G., Heinrich, D., Atwell, G.J., Silva, S., Hamilton, E.J., Rigoreau, L.J.M., Trivier, E., Soudy, C., Samlal, S.S., Owen, P.J., Schroeder, E., Raynham, T., Flanagan, J.U., Denny, W.A.
Deposit date:2012-05-22
Release date:2012-10-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:3-(3,4-Dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acids; a New Class of Highly Potent and Selective Inhibitors of the Type 5 17-beta-hydroxysteroid Dehydrogenase AKR1C3
J.Med.Chem., 55, 2012
4FAM
  • Download 4fam
  • View 4fam
Molmil generated image of 4fam
CRYSTAL STRUCTURE OF HUMAN 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 5 IN COMPLEX WITH 3-((3,4-DIHYDROISOQUINOLIN-2(1H)-YL)SULFONYL)BENZOIC ACID (17)
Descriptor:Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acid, ...
Authors:Turnbull, A.P., Jamieson, S.M.F., Brooke, D.G., Heinrich, D., Atwell, G.J., Silva, S., Hamilton, E.J., Rigoreau, L.J.M., Trivier, E., Soudy, C., Samlal, S.S., Owen, P.J., Schroeder, E., Raynham, T., Flanagan, J.U., Denny, W.A.
Deposit date:2012-05-22
Release date:2012-10-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:3-(3,4-Dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acids; a New Class of Highly Potent and Selective Inhibitors of the Type 5 17-beta-hydroxysteroid Dehydrogenase AKR1C3
J.Med.Chem., 55, 2012
4H7C
  • Download 4h7c
  • View 4h7c
Molmil generated image of 4h7c
CRYSTAL STRUCTURE OF HUMAN 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 5 IN COMPLEX WITH 1-{4-[(2-METHYL-1-PIPERIDINYL)SULFONYL]PHENYL}-2-PYRROLIDINONE
Descriptor:Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 1-(4-{[(2R)-2-methylpiperidin-1-yl]sulfonyl}phenyl)-1,3-dihydro-2H-pyrrol-2-one
Authors:Turnbull, A.P., Heinrich, D., Jamieson, S.M.F., Flanagan, J.U., Silva, S., Rigoreau, L.J.M., Trivier, E., Soudy, C., Samlal, S.S., Owen, P.J., Schroeder, E., Raynham, T., Denny, W.A.
Deposit date:2012-09-20
Release date:2013-03-20
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Synthesis and structure-activity relationships for 1-(4-(piperidin-1-ylsulfonyl)phenyl)pyrrolidin-2-ones as novel non-carboxylate inhibitors of the aldo-keto reductase enzyme AKR1C3.
Eur.J.Med.Chem., 62C, 2013
4HMN
  • Download 4hmn
  • View 4hmn
Molmil generated image of 4hmn
CRYSTAL STRUCTURE OF HUMAN 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 5 IN COMPLEX WITH (4-(4-CHLOROPHENYL)PIPERAZIN-1-YL)(MORPHOLINO)METHANONE (24)
Descriptor:Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [4-(4-chlorophenyl)piperazin-1-yl](morpholin-4-yl)methanone, ...
Authors:Turnbull, A.P., Flanagan, J.U., Atwell, G.J., Heinrich, D.M., Jamieson, S.M.F., Brooke, D.G., Silva, S., Rigoreau, L.J.M., Trivier, E., Soudy, C., Samlal, S.S., Owen, P.J., Schroeder, E., Raynham, T., Denny, W.A.
Deposit date:2012-10-18
Release date:2013-11-13
Last modified:2014-02-26
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Morpholylureas are a new class of potent and selective inhibitors of the type 5 17-beta-hydroxysteroid dehydrogenase (AKR1C3).
Bioorg.Med.Chem., 22, 2014
5NGF
  • Download 5ngf
  • View 5ngf
Molmil generated image of 5ngf
CRYSTAL STRUCTURE OF USP7 IN COMPLEX WITH THE COVALENT INHIBITOR, FT827
Descriptor:Ubiquitin carboxyl-terminal hydrolase 7, ~{N}-[2-[4-[4-[(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)methyl]-4-oxidanyl-piperidin-1-yl]carbonylphenyl]phenyl]ethanesulfonamide, 1,2-ETHANEDIOL
Authors:Krajewski, W.W., Turnbull, A.P., Ioannidis, S., Kessler, B.M., Komander, D.
Deposit date:2017-03-17
Release date:2017-10-18
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Molecular basis of USP7 inhibition by selective small-molecule inhibitors.
Nature, 550, 2017
5NP8
  • Download 5np8
  • View 5np8
Molmil generated image of 5np8
PGK1 IN COMPLEX WITH CRT0063465 (3-[2-(4-BROMOPHENYL)-5,7-DIMETHYL-PYRAZOLO[1,5-A]PYRIMIDIN-6-YL]PROPANOIC ACID)
Descriptor:Phosphoglycerate kinase 1, 3-[2-(4-bromophenyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid, 1,2-ETHANEDIOL, ...
Authors:Turnbull, A.P., Bilsland, A.E., Liu, Y., Sumpton, D., Stevenson, K., Cairney, C.J., Roffey, J., Jenkinson, D., Keith, W.N.
Deposit date:2017-04-13
Release date:2018-05-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:PGK1 in complex with CRT0063465 (3-[2-(4-bromophenyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid)
To Be Published
1LEH
  • Download 1leh
  • View 1leh
Molmil generated image of 1leh
LEUCINE DEHYDROGENASE FROM BACILLUS SPHAERICUS
Descriptor:LEUCINE DEHYDROGENASE
Authors:Baker, P.J., Turnbull, A.P., Sedelnikova, S.E., Stillman, T.J., Rice, D.W.
Deposit date:1995-06-09
Release date:1996-12-23
Last modified:2018-03-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A role for quaternary structure in the substrate specificity of leucine dehydrogenase.
Structure, 3, 1995
1AUP
  • Download 1aup
  • View 1aup
Molmil generated image of 1aup
GLUTAMATE DEHYDROGENASE
Descriptor:NAD-SPECIFIC GLUTAMATE DEHYDROGENASE
Authors:Baker, P.J., Waugh, M.L., Stillman, T.J., Turnbull, A.P., Rice, D.W.
Deposit date:1997-09-01
Release date:1998-03-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Determinants of substrate specificity in the superfamily of amino acid dehydrogenases.
Biochemistry, 36, 1997
1X7N
  • Download 1x7n
  • View 1x7n
Molmil generated image of 1x7n
THE CRYSTAL STRUCTURE OF PYROCOCCUS FURIOSUS PHOSPHOGLUCOSE ISOMERASE WITH BOUND 5-PHOSPHO-D-ARABINONATE AND MANGANESE
Descriptor:Glucose-6-phosphate isomerase, MANGANESE (II) ION, 5-PHOSPHOARABINONIC ACID
Authors:Berrisford, J.M., Akerboom, J., Brouns, S., Sedelnikova, S.E., Turnbull, A.P., van der Oost, J., Salmon, L., Hardre, R., Murray, I.A., Blackburn, G.M., Rice, D.W., Baker, P.J.
Deposit date:2004-08-16
Release date:2004-10-12
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:The structures of inhibitor complexes of Pyrococcus furiosus phosphoglucose isomerase provide insights into substrate binding and catalysis.
J.Mol.Biol., 343, 2004