Author results

4YP2
  • Download 4yp2
  • View 4yp2
Molmil generated image of 4yp2
CLEAVAGE OF NICOTINAMIDE ADENINE DINUCLEOTIDES BY THE RIBOSOME INACTIVATING PROTEIN FROM MOMORDICA CHARANTIA
Descriptor:Ribosome-inactivating protein momordin I, N-ACETYL-D-GLUCOSAMINE, NICOTINAMIDE
Authors:Vinkovic, M., Hussain, J., Wood, G.E., Gill, R., Wood, S.P.
Deposit date:2015-03-12
Release date:2015-05-20
Last modified:2015-09-09
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Cleavage of nicotinamide adenine dinucleotide by the ribosome-inactivating protein from Momordica charantia.
Acta Crystallogr.,Sect.F, 71, 2015
5CF9
  • Download 5cf9
  • View 5cf9
Molmil generated image of 5cf9
CLEAVAGE OF NICOTINAMIDE ADENINE DINUCLEOTIDE BY THE RIBOSOME INACTIVATING PROTEIN OF MOMORDICA CHARANTIA - ENZYME-NADP+ CO-CRYSTALLISATION.
Descriptor:Ribosome-inactivating protein momordin I, N-ACETYL-D-GLUCOSAMINE, NICOTINAMIDE
Authors:Vinkovic, M., Wood, S.P., Gill, R., Husain, J., Wood, G.E., Dunn, G.
Deposit date:2015-07-08
Release date:2015-07-22
Last modified:2015-09-09
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Cleavage of nicotinamide adenine dinucleotide by the ribosome-inactivating protein from Momordica charantia.
Acta Crystallogr.,Sect.F, 71, 2015
4OYA
  • Download 4oya
  • View 4oya
Molmil generated image of 4oya
HUMAN SOLAC COMPLEXED WITH (4-AMINOFURAZAN-3-YL)-[3-(1H-BENZOIMIDAZOL-2-YLMETHOXY)PHENYL]METHANONE
Descriptor:Adenylate cyclase type 10, (4-azanyl-1,2,5-oxadiazol-3-yl)-[3-(1H-benzimidazol-2-ylmethoxy)phenyl]methanone, GLYCEROL
Authors:Vinkovic, M.
Deposit date:2014-02-11
Release date:2014-04-02
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Crystal structure of human soluble adenylate cyclase reveals a distinct, highly flexible allosteric bicarbonate binding pocket.
Chemmedchem, 9, 2014
4OYB
  • Download 4oyb
  • View 4oyb
Molmil generated image of 4oyb
CRYSTAL STRUCTURE ANALYSIS OF THE SOLAC
Descriptor:Adenylate cyclase type 10, GLYCEROL, ethyl 2-[3-[(4-azanyl-1,2,5-oxadiazol-3-yl)carbonyl]phenoxy]ethanoate
Authors:Vinkovic, M.
Deposit date:2014-02-11
Release date:2014-04-02
Last modified:2014-10-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of human soluble adenylate cyclase reveals a distinct, highly flexible allosteric bicarbonate binding pocket.
Chemmedchem, 9, 2014
4OYI
  • Download 4oyi
  • View 4oyi
Molmil generated image of 4oyi
HUMAN SOLAC COMPLEXED WITH (4-AMINO-FURAZAN-3-YL)-PHENYL-METHANONE
Descriptor:Adenylate cyclase type 10, (4-azanyl-1,2,5-oxadiazol-3-yl)-phenyl-methanone, GLYCEROL
Authors:Vinkovic, M.
Deposit date:2014-02-12
Release date:2014-04-02
Last modified:2014-10-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of human soluble adenylate cyclase reveals a distinct, highly flexible allosteric bicarbonate binding pocket.
Chemmedchem, 9, 2014
4OYM
  • Download 4oym
  • View 4oym
Molmil generated image of 4oym
HUMAN SOLAC COMPLEXED WITH (4-AMINO-FURAZAN-3-YL)-(3-METHOXY-PHENYL)-METHANONE
Descriptor:Adenylate cyclase type 10, (4-azanyl-1,2,5-oxadiazol-3-yl)-(3-methoxyphenyl)methanone, GLYCEROL
Authors:Vinkovic, M.
Deposit date:2014-02-12
Release date:2014-04-02
Last modified:2014-10-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of human soluble adenylate cyclase reveals a distinct, highly flexible allosteric bicarbonate binding pocket.
Chemmedchem, 9, 2014
4OYO
  • Download 4oyo
  • View 4oyo
Molmil generated image of 4oyo
HUMAN SOLAC COMPLEXED WITH 4-(2-CHLOROPHENYL)-3-METHYL-1H-PYRAZOLE
Descriptor:Adenylate cyclase type 10, 4-(2-chlorophenyl)-5-methyl-1H-pyrazole, GLYCEROL
Authors:Vinkovic, M.
Deposit date:2014-02-12
Release date:2014-04-02
Last modified:2014-10-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of human soluble adenylate cyclase reveals a distinct, highly flexible allosteric bicarbonate binding pocket.
Chemmedchem, 9, 2014
4OYP
  • Download 4oyp
  • View 4oyp
Molmil generated image of 4oyp
HUMAN SOLAC COMPLEXED WITH 1-BENZOFURAN-2-CARBOXYLIC ACID
Descriptor:Adenylate cyclase type 10, CHLORIDE ION, 1-benzofuran-2-carboxylic acid
Authors:Vinkovic, M.
Deposit date:2014-02-12
Release date:2014-04-02
Last modified:2014-10-01
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Crystal structure of human soluble adenylate cyclase reveals a distinct, highly flexible allosteric bicarbonate binding pocket.
Chemmedchem, 9, 2014
4OYW
  • Download 4oyw
  • View 4oyw
Molmil generated image of 4oyw
CRYSTAL STRUCTURE OF HUMAN SOLUBLE ADENYLATE CYCLASE
Descriptor:Adenylate cyclase type 10, GLYCEROL, CHLORIDE ION
Authors:Vinkovic, M.
Deposit date:2014-02-13
Release date:2014-04-02
Last modified:2014-10-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of human soluble adenylate cyclase reveals a distinct, highly flexible allosteric bicarbonate binding pocket.
Chemmedchem, 9, 2014
4OYX
  • Download 4oyx
  • View 4oyx
Molmil generated image of 4oyx
HUMAN SOLAC COMPLEXED WITH AMPCPP
Descriptor:Adenylate cyclase type 10, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, CALCIUM ION, ...
Authors:Vinkovic, M.
Deposit date:2014-02-13
Release date:2014-04-02
Last modified:2014-10-01
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Crystal structure of human soluble adenylate cyclase reveals a distinct, highly flexible allosteric bicarbonate binding pocket.
Chemmedchem, 9, 2014
4OYZ
  • Download 4oyz
  • View 4oyz
Molmil generated image of 4oyz
HUMAN SOLAC COMPLEXED WITH BICARBONATE
Descriptor:Adenylate cyclase type 10, GLYCEROL, BICARBONATE ION
Authors:Vinkovic, M.
Deposit date:2014-02-13
Release date:2014-04-02
Last modified:2014-10-01
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal structure of human soluble adenylate cyclase reveals a distinct, highly flexible allosteric bicarbonate binding pocket.
Chemmedchem, 9, 2014
4OZ2
  • Download 4oz2
  • View 4oz2
Molmil generated image of 4oz2
HUMAN SOLAC COMPLEXED WITH 4-(4-FLUOROPHENYL)-3-METHYL-1H-PYRAZOLE
Descriptor:Adenylate cyclase type 10, 4-(4-fluorophenyl)-3-methyl-1H-pyrazole, GLYCEROL, ...
Authors:Vinkovic, M.
Deposit date:2014-02-13
Release date:2014-04-02
Last modified:2014-10-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of human soluble adenylate cyclase reveals a distinct, highly flexible allosteric bicarbonate binding pocket.
Chemmedchem, 9, 2014
4OZ3
  • Download 4oz3
  • View 4oz3
Molmil generated image of 4oz3
HUMAN SOLAC COMPLEXED WITH 4-PHENYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE
Descriptor:Adenylate cyclase type 10, 4-phenyl-3-(trifluoromethyl)-1H-pyrazole, GLYCEROL
Authors:Vinkovic, M.
Deposit date:2014-02-13
Release date:2014-04-02
Last modified:2014-10-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of human soluble adenylate cyclase reveals a distinct, highly flexible allosteric bicarbonate binding pocket.
Chemmedchem, 9, 2014
1PPY
  • Download 1ppy
  • View 1ppy
Molmil generated image of 1ppy
NATIVE PRECURSOR OF PYRUVOYL DEPENDENT ASPARTATE DECARBOXYLASE
Descriptor:Aspartate 1-decarboxylase precursor, SULFATE ION
Authors:Schmitzberger, F., Kilkenny, M.L., Lobley, C.M.C., Webb, M.E., Vinkovic, M., Matak-Vinkovic, D., Witty, M., Chirgadze, D.Y., Smith, A.G., Abell, C., Blundell, T.L.
Deposit date:2003-06-17
Release date:2003-11-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural constraints on protein self-processing in L-aspartate-alpha-decarboxylase
Embo J., 22, 2003
1PQE
  • Download 1pqe
  • View 1pqe
Molmil generated image of 1pqe
S25A MUTANT OF PYRUVOYL DEPENDENT ASPARTATE DECARBOXYLASE
Descriptor:Aspartate 1-decarboxylase
Authors:Schmitzberger, F., Kilkenny, M.L., Lobley, C.M.C., Webb, M.E., Vinkovic, M., Matak-Vinkovic, D., Witty, M., Chirgadze, D.Y., Smith, A.G., Abell, C., Blundell, T.L.
Deposit date:2003-06-18
Release date:2003-11-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural constraints on protein self-processing in L-aspartate-alpha-decarboxylase
Embo J., 22, 2003
1PQF
  • Download 1pqf
  • View 1pqf
Molmil generated image of 1pqf
GLYCINE 24 TO SERINE MUTATION OF ASPARTATE DECARBOXYLASE
Descriptor:Aspartate 1-decarboxylase, SULFATE ION
Authors:Schmitzberger, F., Kilkenny, M.L., Lobley, C.M.C., Webb, M.E., Vinkovic, M., Matak-Vinkovic, D., Witty, M., Chirgadze, D.Y., Smith, A.G., Abell, C., Blundell, T.L.
Deposit date:2003-06-18
Release date:2003-11-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural constraints on protein self-processing in L-aspartate-alpha-decarboxylase
Embo J., 22, 2003
1PQH
  • Download 1pqh
  • View 1pqh
Molmil generated image of 1pqh
SERINE 25 TO THREONINE MUTATION OF ASPARTATE DECARBOXYLASE
Descriptor:Aspartate 1-decarboxylase, SODIUM ION, MALONIC ACID
Authors:Schmitzberger, F., Kilkenny, M.L., Lobley, C.M.C., Webb, M.E., Vinkovic, M., Matak-Vinkovic, D., Witty, M., Chirgadze, D.Y., Smith, A.G., Abell, C., Blundell, T.L.
Deposit date:2003-06-18
Release date:2003-11-18
Last modified:2015-04-29
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Structural constraints on protein self-processing in L-aspartate-alpha-decarboxylase
Embo J., 22, 2003
1PT0
  • Download 1pt0
  • View 1pt0
Molmil generated image of 1pt0
UNPROCESSED PYRUVOYL DEPENDENT ASPARTATE DECARBOXYLASE WITH AN ALANINE INSERTION AT POSITION 26
Descriptor:Aspartate 1-decarboxylase, SULFATE ION
Authors:Schmitzberger, F., Kilkenny, M.L., Lobley, C.M.C., Webb, M.E., Vinkovic, M., Matak-Vinkovic, D., Witty, M., Chirgadze, D.Y., Smith, A.G., Abell, C., Blundell, T.L.
Deposit date:2003-06-22
Release date:2003-11-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural constraints on protein self-processing in L-aspartate-alpha-decarboxylase
Embo J., 22, 2003
1PT1
  • Download 1pt1
  • View 1pt1
Molmil generated image of 1pt1
UNPROCESSED PYRUVOYL DEPENDENT ASPARTATE DECARBOXYLASE WITH HISTIDINE 11 MUTATED TO ALANINE
Descriptor:Aspartate 1-decarboxylase, SULFATE ION
Authors:Schmitzberger, F., Kilkenny, M.L., Lobley, C.M.C., Webb, M.E., Vinkovic, M., Matak-Vinkovic, D., Witty, M., Chirgadze, D.Y., Smith, A.G., Abell, C., Blundell, T.L.
Deposit date:2003-06-22
Release date:2003-11-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural constraints on protein self-processing in L-aspartate-alpha-decarboxylase
Embo J., 22, 2003
1PYQ
  • Download 1pyq
  • View 1pyq
Molmil generated image of 1pyq
UNPROCESSED ASPARTATE DECARBOXYLASE MUTANT, WITH ALANINE INSERTED AT POSITION 24
Descriptor:Aspartate 1-decarboxylase, SULFATE ION
Authors:Schmitzberger, F., Kilkenny, M.L., Lobley, C.M.C., Webb, M.E., Vinkovic, M., Matak-Vinkovic, D., Witty, M., Chirgadze, D.Y., Smith, A.G., Abell, C., Blundell, T.L.
Deposit date:2003-07-09
Release date:2003-11-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Constraints on protein self-processing in L-aspartate-alpha-decarboxylase
Embo J., 22, 2003
1PYU
  • Download 1pyu
  • View 1pyu
Molmil generated image of 1pyu
PROCESSED ASPARTATE DECARBOXYLASE MUTANT WITH SER25 MUTATED TO CYS
Descriptor:Aspartate 1-decarboxylase beta chain, Aspartate 1-decarboxylase alfa chain, SULFATE ION
Authors:Schmitzberger, F., Kilkenny, M.L., Lobley, C.M.C., Webb, M.E., Vinkovic, M., Matak-Vinkovic, D., Witty, M., Chirgadze, D.Y., Smith, A.G., Abell, C., Blundell, T.L.
Deposit date:2003-07-09
Release date:2003-11-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Constraints on protein self-processing in L-aspartate-alpha-decarboxylase
Embo J., 22, 2003
1KS9
  • Download 1ks9
  • View 1ks9
Molmil generated image of 1ks9
KETOPANTOATE REDUCTASE FROM ESCHERICHIA COLI
Descriptor:2-DEHYDROPANTOATE 2-REDUCTASE
Authors:Matak-Vinkovic, D., Vinkovic, M., Saldanha, S.A., Ashurst, J.A., von Delft, F., Inoue, T., Miguel, R.N., Smith, A.G., Blundell, T.L., Abell, C.
Deposit date:2002-01-11
Release date:2002-01-25
Last modified:2014-11-12
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of Escherichia coli ketopantoate reductase at 1.7 A resolution and insight into the enzyme mechanism.
Biochemistry, 40, 2001
2VIN
  • Download 2vin
  • View 2vin
Molmil generated image of 2vin
FRAGMENT-BASED DISCOVERY OF MEXILETINE DERIVATIVES AS ORALLY BIOAVAILABLE INHIBITORS OF UROKINASE-TYPE PLASMINOGEN ACTIVATOR
Descriptor:UROKINASE-TYPE PLASMINOGEN ACTIVATOR CHAIN B, ACETATE ION, SULFATE ION, ...
Authors:Frederickson, M., Callaghan, O., Chessari, G., Congreve, M., Cowan, S.R., Matthews, J.E., McMenamin, R., Smith, D., Vinkovic, M., Wallis, N.G.
Deposit date:2007-12-05
Release date:2008-01-22
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator
J.Med.Chem., 51, 2008
2VIO
  • Download 2vio
  • View 2vio
Molmil generated image of 2vio
FRAGMENT-BASED DISCOVERY OF MEXILETINE DERIVATIVES AS ORALLY BIOAVAILABLE INHIBITORS OF UROKINASE-TYPE PLASMINOGEN ACTIVATOR
Descriptor:UROKINASE-TYPE PLASMINOGEN ACTIVATOR CHAIN B, ACETATE ION, 4-(2-aminoethoxy)-3,5-dichlorobenzoic acid
Authors:Frederickson, M., Callaghan, O., Chessari, G., Congreve, M., Cowan, S.R., Matthews, J.E., McMenamin, R., Smith, D., Vinkovic, M., Wallis, N.G.
Deposit date:2007-12-05
Release date:2008-01-22
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator
J.Med.Chem., 51, 2008
2VIP
  • Download 2vip
  • View 2vip
Molmil generated image of 2vip
FRAGMENT-BASED DISCOVERY OF MEXILETINE DERIVATIVES AS ORALLY BIOAVAILABLE INHIBITORS OF UROKINASE-TYPE PLASMINOGEN ACTIVATOR
Descriptor:UROKINASE-TYPE PLASMINOGEN ACTIVATOR CHAIN B, ACETATE ION, SULFATE ION, ...
Authors:Frederickson, M., Callaghan, O., Chessari, G., Congreve, M., Cowan, S.R., Matthews, J.E., McMenamin, R., Smith, D., Vinkovic, M., Wallis, N.G.
Deposit date:2007-12-05
Release date:2008-01-22
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator
J.Med.Chem., 51, 2008
<12>