Author results

1M3I
  • Download 1m3i
  • View 1m3i
Molmil generated image of 1m3i
PERFRINGOLYSIN O, NEW CRYSTAL FORM
Descriptor:perfringolysin O
Authors:Rossjohn, J., Parker, M., Polekhina, G., Feil, S., Tweten, R.
Deposit date:2002-06-28
Release date:2004-02-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural Snapshots in the Molecular Mechanism of PFO Revealed
To be Published
1M3J
  • Download 1m3j
  • View 1m3j
Molmil generated image of 1m3j
CRYSTAL FORM II OF PERFRINGOLYSIN O
Descriptor:perfringolysin o
Authors:Rossjohn, J., Parker, M., Polekhina, G., Feil, S., Tweten, R.
Deposit date:2002-06-28
Release date:2003-09-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:STRUCTURAL SNAPSHOTS IN THE MOLECULAR MECHANISM OF PFO REVEALED
To be Published
1OQO
  • Download 1oqo
  • View 1oqo
Molmil generated image of 1oqo
COMPLEX BETWEEN G0 VERSION OF AN FC BOUND TO A MINIMIZED VERSION OF PROTEIN A CALLED MINI-Z
Descriptor:immunoglobulin gamma-1 heavy chain constant region, Minimized version of Protein A (Z34C), N-ACETYL-D-GLUCOSAMINE, ...
Authors:Raju, T.S., Mulkerrin, M.G., Parker, M., De Vos, A.M., Gazzano-Santoro, H., Totpal, K., Ultsch, M.H.
Deposit date:2003-03-10
Release date:2003-03-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Impact of Fc Glycans on The Effector Functions Vary with the Antibody mechanism of Action
To be Published
1OQX
  • Download 1oqx
  • View 1oqx
Molmil generated image of 1oqx
G-2 GLYCOVARIANT OF HUMAN IGG FC BOUND TO MINIMIZED VERSION OF PROTEIN A CALLED Z34C
Descriptor:immunoglobulin gamma-1 heavy chain constant region, Protein A Z34C, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Raju, T.S., Mulkerrin, M.G., Parker, M., De Vos, A.M., Gazzano-Santoro, H., Totpal, K., Ultsch, M.H.
Deposit date:2003-03-11
Release date:2003-03-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Impact of Fc Glycans on The Effector Functions Vary with the Antibody mechanism of Action
To be Published
4GSS
  • Download 4gss
  • View 4gss
Molmil generated image of 4gss
HUMAN GLUTATHIONE S-TRANSFERASE P1-1 Y108F MUTANT
Descriptor:GLUTATHIONE S-TRANSFERASE, S-HEXYLGLUTATHIONE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID
Authors:Oakley, A., Rossjohn, J., Parker, M.
Deposit date:1997-01-20
Release date:1998-01-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Multifunctional role of Tyr 108 in the catalytic mechanism of human glutathione transferase P1-1. Crystallographic and kinetic studies on the Y108F mutant enzyme.
Biochemistry, 36, 1997
10GS
  • Download 10gs
  • View 10gs
Molmil generated image of 10gs
HUMAN GLUTATHIONE S-TRANSFERASE P1-1, COMPLEX WITH TER117
Descriptor:GLUTATHIONE S-TRANSFERASE P1-1, L-gamma-glutamyl-S-benzyl-N-[(S)-carboxy(phenyl)methyl]-L-cysteinamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID
Authors:Oakley, A., Parker, M.
Deposit date:1997-08-14
Release date:1998-09-16
Last modified:2013-02-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The structures of human glutathione transferase P1-1 in complex with glutathione and various inhibitors at high resolution.
J.Mol.Biol., 274, 1997
5GSS
  • Download 5gss
  • View 5gss
Molmil generated image of 5gss
HUMAN GLUTATHIONE S-TRANSFERASE P1-1, COMPLEX WITH GLUTATHIONE
Descriptor:GLUTATHIONE S-TRANSFERASE P1-1, GLUTATHIONE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID
Authors:Oakley, A., Parker, M.
Deposit date:1997-08-11
Release date:1998-09-16
Last modified:2011-12-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The structures of human glutathione transferase P1-1 in complex with glutathione and various inhibitors at high resolution.
J.Mol.Biol., 274, 1997
6GSS
  • Download 6gss
  • View 6gss
Molmil generated image of 6gss
HUMAN GLUTATHIONE S-TRANSFERASE P1-1, COMPLEX WITH GLUTATHIONE
Descriptor:GLUTATHIONE S-TRANSFERASE P1-1, GLUTATHIONE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID
Authors:Oakley, A., Parker, M.
Deposit date:1997-08-13
Release date:1998-09-16
Last modified:2011-12-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The structures of human glutathione transferase P1-1 in complex with glutathione and various inhibitors at high resolution.
J.Mol.Biol., 274, 1997
7GSS
  • Download 7gss
  • View 7gss
Molmil generated image of 7gss
HUMAN GLUTATHIONE S-TRANSFERASE P1-1, COMPLEX WITH GLUTATHIONE
Descriptor:GLUTATHIONE S-TRANSFERASE P1-1, GLUTATHIONE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID
Authors:Oakley, A., Parker, M.
Deposit date:1997-08-13
Release date:1998-09-16
Last modified:2011-12-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The structures of human glutathione transferase P1-1 in complex with glutathione and various inhibitors at high resolution.
J.Mol.Biol., 274, 1997
8GSS
  • Download 8gss
  • View 8gss
Molmil generated image of 8gss
HUMAN GLUTATHIONE S-TRANSFERASE P1-1, COMPLEX WITH GLUTATHIONE
Descriptor:GLUTATHIONE S-TRANSFERASE P1-1, SULFATE ION, GLUTATHIONE, ...
Authors:Oakley, A., Parker, M.
Deposit date:1997-08-14
Release date:1998-09-16
Last modified:2011-12-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The structures of human glutathione transferase P1-1 in complex with glutathione and various inhibitors at high resolution.
J.Mol.Biol., 274, 1997
9GSS
  • Download 9gss
  • View 9gss
Molmil generated image of 9gss
HUMAN GLUTATHIONE S-TRANSFERASE P1-1, COMPLEX WITH S-HEXYL GLUTATHIONE
Descriptor:GLUTATHIONE S-TRANSFERASE P1-1, SULFATE ION, S-HEXYLGLUTATHIONE, ...
Authors:Oakley, A., Parker, M.
Deposit date:1997-08-14
Release date:1998-09-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:The structures of human glutathione transferase P1-1 in complex with glutathione and various inhibitors at high resolution.
J.Mol.Biol., 274, 1997
3TZR
  • Download 3tzr
  • View 3tzr
Molmil generated image of 3tzr
STRUCTURE OF A RIBOSWITCH-LIKE RNA-LIGAND COMPLEX FROM THE HEPATITIS C VIRUS INTERNAL RIBOSOME ENTRY SITE
Descriptor:5'-R(*CP*GP*AP*GP*GP*AP*AP*CP*UP*AP*CP*UP*GP*UP*CP*UP*UP*CP*CP*C)-3', 5'-R(*GP*GP*UP*CP*GP*UP*GP*CP*AP*GP*CP*CP*UP*CP*GP*G)-3', MAGNESIUM ION, ...
Authors:Dibrov, S.M., Ding, K., Brunn, N., Parker, M.A., Bergdahl, B.M., Wyles, D.L., Hermann, T.
Deposit date:2011-09-27
Release date:2012-03-21
Method:X-RAY DIFFRACTION (2.212 Å)
Cite:Structure of a Riboswitch in the Hepatitis C Virus Internal Ribosome Entry Site
To be Published
3ZXZ
  • Download 3zxz
  • View 3zxz
Molmil generated image of 3zxz
X-RAY STRUCTURE OF PF-04217903 BOUND TO THE KINASE DOMAIN OF C-MET
Descriptor:HEPATOCYTE GROWTH FACTOR RECEPTOR, 2-{4-[1-(QUINOLIN-6-YLMETHYL)-1H-[1,2,3]TRIAZOLO[4,5-B]PYRAZIN-6-YL]-1H-PYRAZOL-1-YL}ETHANOL
Authors:McTigue, M., Grodsky, N., Ryan, K., Cui, J.J.
Deposit date:2011-08-16
Release date:2011-08-31
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of a Novel Class of Exquisitely Selective Mesenchymal-Epithelial Transition Factor (C-met) Protein Kinase Inhibitors and Identification of the Clinical Candidate 2-(4-(1-(Quinolin-6-Ylmethyl)-1H-[1,2, 3]Triazolo[4,5-B]Pyrazin-6-Yl)-1H-Pyrazol-1-Yl)Ethanol (Pf-04217903) for the Treatment of Cancer.
J.Med.Chem., 55, 2012
3ZZE
  • Download 3zze
  • View 3zze
Molmil generated image of 3zze
CRYSTAL STRUCTURE OF C-MET KINASE DOMAIN IN COMPLEX WITH N'-((3Z)-4- CHLORO-7-METHYL-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)-2-(4- HYDROXYPHENYL)PROPANOHYDRAZIDE
Descriptor:HEPATOCYTE GROWTH FACTOR RECEPTOR, (2S)-N'-[(3R)-4-chloro-7-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl]-2-(4-hydroxyphenyl)propanehydrazide
Authors:McTigue, M., Deng, Y., Ryan, K., Cui, J.J.
Deposit date:2011-08-31
Release date:2011-09-14
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Discovery of a Novel Class of Exquisitely Selective Mesenchymal-Epithelial Transition Factor (C-met) Protein Kinase Inhibitors and Identification of the Clinical Candidate 2-(4-(1-(Quinolin-6-Ylmethyl)-1H-[1,2, 3]Triazolo[4,5-B]Pyrazin-6-Yl)-1H-Pyrazol-1-Yl)Ethanol (Pf-04217903) for the Treatment of Cancer.
J.Med.Chem., 55, 2012
4AOI
  • Download 4aoi
  • View 4aoi
Molmil generated image of 4aoi
CRYSTAL STRUCTURE OF C-MET KINASE DOMAIN IN COMPLEX WITH 4-(3-((1H- PYRROLO(2,3-B)PYRIDIN-3-YL)METHYL)-(1,2,4)TRIAZOLO(4,3-B)(1,2,4) TRIAZIN-6-YL)BENZONITRILE
Descriptor:HEPATOCYTE GROWTH FACTOR RECEPTOR, 4-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]benzenecarbonitrile
Authors:McTigue, M., Grodsky, N., Ryan, K., Cui, J.J.
Deposit date:2012-03-27
Release date:2012-09-26
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of a Novel Class of Exquisitely Selective Mesenchymal-Epithelial Transition Factor (C-met) Protein Kinase Inhibitors and Identification of the Clinical Candidate 2-(4-(1-(Quinolin-6-Ylmethyl)-1H-[1,2, 3]Triazolo[4,5-B]Pyrazin-6-Yl)-1H-Pyrazol-1-Yl)Ethanol (Pf-04217903) for the Treatment of Cancer.
J.Med.Chem., 55, 2012
4AP7
  • Download 4ap7
  • View 4ap7
Molmil generated image of 4ap7
CRYSTAL STRUCTURE OF C-MET KINASE DOMAIN IN COMPLEX WITH 4-((6-(4- FLUOROPHENYL)-(1,2,4)TRIAZOLO(4,3-B)(1,2,4)TRIAZIN-3-YL)METHYL)PHENOL
Descriptor:HEPATOCYTE GROWTH FACTOR RECEPTOR, 4-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]phenol
Authors:McTigue, M., Wickersham, J.
Deposit date:2012-03-30
Release date:2012-09-26
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of a Novel Class of Exquisitely Selective Mesenchymal-Epithelial Transition Factor (C-met) Protein Kinase Inhibitors and Identification of the Clinical Candidate 2-(4-(1-(Quinolin-6-Ylmethyl)-1H-[1,2, 3]Triazolo[4,5-B]Pyrazin-6-Yl)-1H-Pyrazol-1-Yl)Ethanol (Pf-04217903) for the Treatment of Cancer.
J.Med.Chem., 55, 2012
3ZBX
  • Download 3zbx
  • View 3zbx
Molmil generated image of 3zbx
X-RAY STRUCTURE OF C-MET KINASE IN COMPLEX WITH INHIBITOR 6-((6-(4- FLUOROPHENYL)-(1,2,4)TRIAZOLO(4,3-B)(1,2,4)TRIAZIN-3-YL)METHYL) QUINOLINE.
Descriptor:HEPATOCYTE GROWTH FACTOR RECEPTOR, 6-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline
Authors:McTigue, M., Wickersham, J., Ryan, K.
Deposit date:2012-11-13
Release date:2013-11-27
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Lessons from (S)-6-(1-(6-(1-Methyl-1H-Pyrazol-4-Yl)-[1,2, 4]Triazolo[4,3-B]Pyridazin-3-Yl)Ethyl)Quinoline (Pf-04254644), an Inhibitor of Receptor Tyrosine Kinase C-met with High Protein Kinase Selectivity But Broad Phosphodiesterase Family Inhibition Leading to Myocardial Degeneration in Rats.
J.Med.Chem., 56, 2013
3ZC5
  • Download 3zc5
  • View 3zc5
Molmil generated image of 3zc5
X-RAY STRUCTURE OF C-MET KINASE IN COMPLEX WITH INHIBITOR (S)-6-(1-(6- (1-METHYL-1H-PYRAZOL-4-YL)-(1,2,4)TRIAZOLO(4,3-B)PYRIDAZIN-3-YL)ETHYL) QUINOLINE.
Descriptor:HEPATOCYTE GROWTH FACTOR RECEPTOR, 6-{(1S)-1-[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl}quinoline
Authors:McTigue, M., Grodsky, N., Ryan, K.
Deposit date:2012-11-15
Release date:2013-11-27
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Lessons from (S)-6-(1-(6-(1-Methyl-1H-Pyrazol-4-Yl)-[1,2, 4]Triazolo[4,3-B]Pyridazin-3-Yl)Ethyl)Quinoline (Pf-04254644), an Inhibitor of Receptor Tyrosine Kinase C-met with High Protein Kinase Selectivity But Broad Phosphodiesterase Family Inhibition Leading to Myocardial Degeneration in Rats.
J.Med.Chem., 56, 2013
3ZCL
  • Download 3zcl
  • View 3zcl
Molmil generated image of 3zcl
X-RAY STRUCTURE OF C-MET KINASE IN COMPLEX WITH INHIBITOR (S)-3-(1-(1H-PYRROLO(2,3-B)PYRIDIN-3-YL)ETHYL)-N-ISOPROPYL-(1,2,4)TRIAZOLO(4,3- B)PYRIDAZIN-6-AMINE
Descriptor:HEPATOCYTE GROWTH FACTOR RECEPTOR, (S)-3-(1-(1H-pyrrolo(2,3-b)pyridin-3-yl)ethyl)-N-isopropyl-(1,2,4)triazolo(4,3-b)pyridazin-6-amine
Authors:McTigue, M., Grodsky, N., Ryan, K.
Deposit date:2012-11-20
Release date:2013-11-27
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Lessons from (S)-6-(1-(6-(1-Methyl-1H-Pyrazol-4-Yl)-[1,2, 4]Triazolo[4,3-B]Pyridazin-3-Yl)Ethyl)Quinoline (Pf-04254644), an Inhibitor of Receptor Tyrosine Kinase C-met with High Protein Kinase Selectivity But Broad Phosphodiesterase Family Inhibition Leading to Myocardial Degeneration in Rats.
J.Med.Chem., 56, 2013
2LU3
  • Download 2lu3
  • View 2lu3
Molmil generated image of 2lu3
SOLUTION NMR STRUCTURE OF THE APO-FORM OF THE BETA2 CARBOHYDRATE MODULE OF AMP-ACTIVATED PROTEIN KINASE
Descriptor:5'-AMP-activated protein kinase subunit beta-2
Authors:Gooley, P., Koay, A., Stapleton, D.
Deposit date:2012-06-08
Release date:2013-06-12
Method:SOLUTION NMR
Cite:Structure and carbohydrate binding of the beta2-subunit of AMP-activated protein kinase
To be Published
2LU4
  • Download 2lu4
  • View 2lu4
Molmil generated image of 2lu4
SOLUTION NMR STRUCTURE OF THE BETA2 CARBOHYDRATE MODULE OF AMP-ACTIVATED PROTEIN KINASE BOUND TO GLUCOSYL-CYCLODEXTRIN
Descriptor:5'-AMP-activated protein kinase subunit beta-2
Authors:Gooley, P., Koay, A., Stapleton, D.
Deposit date:2012-06-08
Release date:2013-06-12
Method:SOLUTION NMR
Cite:Structure and carbohydrate binding of the beta2-subunit of AMP-activated protein kinase
To be Published
5C37
  • Download 5c37
  • View 5c37
Molmil generated image of 5c37
STRUCTURE OF THE BETA-KETOACYL REDUCTASE DOMAIN OF HUMAN FATTY ACID SYNTHASE BOUND TO A SPIRO-IMIDAZOLONE INHIBITOR
Descriptor:Fatty acid synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 6-{[(3R)-1-(cyclopropylcarbonyl)pyrrolidin-3-yl]methyl}-5-[4-(1-methyl-1H-indazol-5-yl)phenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one, ...
Authors:Schubert, C., Milligan, C.M., Vo, K., Grasberger, B.
Deposit date:2015-06-17
Release date:2016-06-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design and Synthesis of a Series of Bioavailable Fatty Acid Synthase (FASN) KR Domain Inhibitors for Cancer Therapy
to be published