Author results

2C7Y
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PLANT ENZYME
Descriptor:3-KETOACYL-COA THIOLASE 2
Authors:Sundaramoorthy, R., Micossi, E., Alphey, M.S., Germain, V., Bryce, J.H., Smith, S.M., Leonard, G.A., Hunter, W.N.
Deposit date:2005-11-30
Release date:2006-05-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Crystal Structure of a Plant 3-Ketoacyl-Coa Thiolase Reveals the Potential for Redox Control of Peroxisomal Fatty Acid Beta-Oxidation.
J.Mol.Biol., 359, 2006
2C7Z
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PLANT ENZYME CRYSTAL FORM II
Descriptor:3-KETOACYL-COA THIOLASE 2
Authors:Sundaramoorthy, R., Micossi, E., Alphey, M.S., Leonard, G.A., Hunter, W.N.
Deposit date:2005-11-30
Release date:2006-05-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:The Crystal Structure of a Plant 3-Ketoacyl-Coa Thiolase Reveals the Potential for Redox Control of Peroxisomal Fatty Acid Beta-Oxidation.
J.Mol.Biol., 359, 2006
2IYO
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STRUCTURAL CHARACTERIZATION OF A BACTERIAL 6PDH REVEALS ASPECTS OF SPECIFICITY, MECHANISM AND MODE OF INHIBITION
Descriptor:6-PHOSPHOGLUCONATE DEHYDROGENASE, DECARBOXYLATING, 6-PHOSPHOGLUCONIC ACID, ...
Authors:Sundaramoorthy, R., Iulek, J., Hunter, W.N.
Deposit date:2006-07-21
Release date:2007-01-23
Last modified:2018-05-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structures of a Bacterial 6-Phosphogluconate Dehydrogenase Reveal Aspects of Specificity, Mechanism and Mode of Inhibition by Analogues of High-Energy Reaction Intermediates.
FEBS J., 274, 2007
2IYP
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PRODUCT RUP
Descriptor:6-PHOSPHOGLUCONATE DEHYDROGENASE, DECARBOXYLATING, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Sundaramoorthy, R., Iulek, J., Hunter, W.N.
Deposit date:2006-07-21
Release date:2007-01-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Crystal Structures of a Bacterial 6-Phosphogluconate Dehydrogenase Reveal Aspects of Specificity, Mechanism and Mode of Inhibition by Analogues of High-Energy Reaction Intermediates.
FEBS J., 274, 2007
2IZ0
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PEX INHIBITOR-HOME DATA
Descriptor:6-PHOSPHOGLUCONATE DEHYDROGENASE, DECARBOXYLATING, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Sundaramoorthy, R., Iulek, J., Hunter, W.N.
Deposit date:2006-07-23
Release date:2007-01-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structures of a Bacterial 6- Phosphogluconate Dehydrogenase Reveal Aspects of Specificity, Mechanism and Mode of Inhibition by Analogues of High-Energy Reaction Intermediates.
FEBS J., 274, 2007
2IZ1
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6PDH COMPLEXED WITH PEX INHIBITOR SYNCHROTRON DATA
Descriptor:6-PHOSPHOGLUCONATE DEHYDROGENASE, DECARBOXYLATING, 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, ...
Authors:Sundaramoorthy, R., Iulek, J., Hunter, W.N.
Deposit date:2006-07-23
Release date:2007-01-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structures of a Bacterial 6- Phosphogluconate Dehydrogenase Reveal Aspects of Specificity, Mechanism and Mode of Inhibition by Analogues of High-Energy Reaction Intermediates.
FEBS J., 274, 2007
2VRZ
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STRUCTURAL ANALYSIS OF HOMODIMERIC STAPHYLOCOCCAL AUREUS ESXA
Descriptor:VIRULENCE FACTOR ESXA, ZINC ION
Authors:Sundaramoorthy, R., Hunter, W.N.
Deposit date:2008-04-17
Release date:2008-08-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of Staphylococcus Aureus Esxa Suggests a Contribution to Virulence by Action as a Transport Chaperone and/or Adaptor Protein.
J.Mol.Biol., 383, 2008
2VS0
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STRUCTURAL ANALYSIS OF HOMODIMERIC STAPHYLOCOCCAL AUREUS VIRULENCE FACTOR ESXA
Descriptor:VIRULENCE FACTOR ESXA, ZINC ION, CACODYLATE ION
Authors:Sundaramoorthy, R., Fyfe, P.K., Hunter, W.N.
Deposit date:2008-04-17
Release date:2008-08-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure of Staphylococcus Aureus Esxa Suggests a Contribution to Virulence by Action as a Transport Chaperone and/or Adaptor Protein.
J.Mol.Biol., 383, 2008
6FTX
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STRUCTURE OF THE CHROMATIN REMODELLING ENZYME CHD1 BOUND TO A UBIQUITINYLATED NUCLEOSOME
Descriptor:Histone H3, Histone H4, Histone H2A type 1, ...
Authors:Sundaramoorthy, R., Owen-hughes, T., Norman, D.G., Hughes, A.
Deposit date:2018-02-25
Release date:2018-08-08
Last modified:2018-10-17
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Structure of the chromatin remodelling enzyme Chd1 bound to a ubiquitinylated nucleosome.
Elife, 7, 2018
6G0L
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STRUCTURE OF TWO MOLECULES OF THE CHROMATIN REMODELLING ENZYME CHD1 BOUND TO A NUCLEOSOME
Descriptor:Histone H3, Histone H4, Histone H2A type 1, ...
Authors:Sundaramoorthy, R., Owen-hughes, T., Norman, D.G., Hughes, A.
Deposit date:2018-03-19
Release date:2018-08-22
Last modified:2018-11-21
Method:ELECTRON MICROSCOPY (10 Å)
Cite:Structure of the chromatin remodelling enzyme Chd1 bound to a ubiquitinylated nucleosome.
Elife, 7, 2018
1FBZ
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STRUCTURE-BASED DESIGN OF A NOVEL, OSTEOCLAST-SELECTIVE, NONPEPTIDE SRC SH2 INHIBITOR WITH IN VIVO ANTI-RESORPTIVE ACTIVITY
Descriptor:PROTO-ONCOGENE TYROSINE-PROTEIN KINASE LCK, {4-[2-ACETYLAMINO-2-(3-CARBAMOYL-2-CYCLOHEXYLMETHOXY-6,7,8,9-TETRAHYDRO-5H-BENZOCYCLOHEPTEN-5YLCARBAMOYL)-ETHYL]-2-PHOSPHONO-PHENYL}-PHOSPHONIC ACID
Authors:Shakespeare, W., Yang, M., Bohacek, R., Cerasoli, F., Stebbis, K., Sundaramoorthi, R., Vu, C., Pradeepan, S., Metcalf, C., Haraldson, C., Merry, T., Dalgarno, D., Narula, S., Hatada, M., Lu, X., Van Schravendijk, M.R., Adams, S., Violette, S., Smith, J., Guan, W., Bartlett, C., Herson, J., Iuliucci, J., Weigele, M., Sawyer, T.
Deposit date:2000-07-17
Release date:2000-08-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-based design of an osteoclast-selective, nonpeptide src homology 2 inhibitor with in vivo antiresorptive activity.
Proc.Natl.Acad.Sci.Usa, 97, 2000
5C1Z
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PARKIN (UBLR0RBR)
Descriptor:E3 ubiquitin-protein ligase parkin, ZINC ION, SULFATE ION, ...
Authors:kumar, A., Aguirre, J.D., Condos, T.E.C., Martinez-Torres, R.J., Chaugule, V.K., Toth, R., Sundaramoorthy, R., Mercier, P., Knebel, A., Spratt, D.E., Barber, K.R., Shaw, G.S., Walden, H.
Deposit date:2015-06-15
Release date:2015-07-29
Last modified:2015-10-28
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Disruption of the autoinhibited state primes the E3 ligase parkin for activation and catalysis.
Embo J., 34, 2015
5C23
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PARKIN (S65DUBLR0RBR)
Descriptor:E3 ubiquitin-protein ligase parkin, ZINC ION, GLYCEROL, ...
Authors:Kumar, A., Aguirre, J.D., Condos, T.E.C., Martinez-Torres, R.J., Chaugule, V.K., Toth, R., Sundaramoorthy, R., Mercier, P., Knebel, A., Spratt, D.E., Barber, K.R., Shaw, G.S., Walden, H.
Deposit date:2015-06-15
Release date:2015-07-29
Last modified:2015-10-28
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Disruption of the autoinhibited state primes the E3 ligase parkin for activation and catalysis.
Embo J., 34, 2015
5N2W
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WT-PARKIN AND PUB COMPLEX
Descriptor:E3 ubiquitin-protein ligase parkin,E3 ubiquitin-protein ligase parkin, Polyubiquitin-B, ZINC ION, ...
Authors:Kumar, A., Chaugule, V.K., Johnson, C., Toth, R., Sundaramoorthy, R., Knebel, A., Walden, H.
Deposit date:2017-02-08
Release date:2017-04-19
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Parkin-phosphoubiquitin complex reveals cryptic ubiquitin-binding site required for RBR ligase activity.
Nat. Struct. Mol. Biol., 24, 2017
5N38
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S65DPARKIN AND PUB COMPLEX
Descriptor:E3 ubiquitin-protein ligase parkin,E3 ubiquitin-protein ligase parkin, Polyubiquitin-B, DI(HYDROXYETHYL)ETHER, ...
Authors:Kumar, A., Chaugule, V.K., Johnson, C., Toth, R., Sundaramoorthy, R., Knebel, A., Walden, H.
Deposit date:2017-02-08
Release date:2017-04-19
Last modified:2018-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Parkin-phosphoubiquitin complex reveals cryptic ubiquitin-binding site required for RBR ligase activity.
Nat. Struct. Mol. Biol., 24, 2017
5AGC
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CRYSTALLOGRAPHIC FORMS OF THE VPS75 TETRAMER
Descriptor:VACUOLAR PROTEIN SORTING-ASSOCIATED PROTEIN 75
Authors:Hammond, C.M., Sundaramoorthy, R., Owen-Hughes, T.
Deposit date:2015-01-29
Release date:2016-03-02
Last modified:2016-08-10
Method:X-RAY DIFFRACTION (4 Å)
Cite:The Histone Chaperone Vps75 Forms Multiple Oligomeric Assemblies Capable of Mediating Exchange between Histone H3-H4 Tetramers and Asf1-H3-H4 Complexes.
Nucleic Acids Res., 44, 2016
1IJR
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CRYSTAL STRUCTURE OF LCK SH2 COMPLEXED WITH NONPEPTIDE PHOSPHOTYROSINE MIMETIC
Descriptor:PROTO-ONCOGENE TYROSINE-PROTEIN KINASE LCK, (4-{2-ACETYLAMINO-2-[1-(3-CARBAMOYL-4-CYCLOHEXYLMETHOXY-PHENYL)-ETHYLCARBAMOYL}-ETHYL}-2-PHOSPHONO-PHENOXY)-ACETIC ACID
Authors:Kawahata, N.H., Yang, M.H., Luke, G.P., Shakespeare, W.C., Sundaramoorthi, R.
Deposit date:2001-04-27
Release date:2002-05-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A novel phosphotyrosine mimetic 4'-carboxymethyloxy-3'-phosphonophenylalanine (Cpp): exploitation in the design of nonpeptide inhibitors of pp60(Src) SH2 domain.
Bioorg.Med.Chem.Lett., 11, 2001
2XB0
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DNA-BINDING DOMAIN FROM SACCHAROMYCES CEREVISIAE CHROMATIN- REMODELLING PROTEIN CHD1
Descriptor:CHROMO DOMAIN-CONTAINING PROTEIN 1, GLYCEROL, CHLORIDE ION
Authors:Ryan, D.P., Sundaramoorthy, R., Owen-Hughes, T.
Deposit date:2010-04-01
Release date:2011-05-11
Last modified:2013-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:The DNA-Binding Domain of the Chd1 Chromatin- Remodelling Enzyme Contains Sant and Slide Domains.
Embo J., 30, 2011
2BDF
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SRC KINASE IN COMPLEX WITH INHIBITOR AP23451
Descriptor:Proto-oncogene tyrosine-protein kinase Src, {[(4-{[2-(4-AMINOCYCLOHEXYL)-9-ETHYL-9H-PURIN-6-YL]AMINO}PHENYL)(HYDROXY)PHOSPHORYL]METHYL}PHOSPHONIC ACID
Authors:Dalgarno, D., Stehle, T., Schelling, P., Sawyer, T., Narula, S.
Deposit date:2005-10-20
Release date:2006-10-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis of Src tyrosine kinase inhibition with a new class of potent and selective trisubstituted purine-based compounds.
Chem.Biol.Drug Des., 67, 2006
2BDJ
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SRC KINASE IN COMPLEX WITH INHIBITOR AP23464
Descriptor:Proto-oncogene tyrosine-protein kinase Src, 3-[2-(2-CYCLOPENTYL-6-{[4-(DIMETHYLPHOSPHORYL)PHENYL]AMINO}-9H-PURIN-9-YL)ETHYL]PHENOL
Authors:Dalgarno, D., Stehle, T., Schelling, P., Narula, S., Sawyer, T.
Deposit date:2005-10-20
Release date:2006-10-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis of Src tyrosine kinase inhibition with a new class of potent and selective trisubstituted purine-based compounds.
Chem.Biol.Drug Des., 67, 2006
3IK3
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AP24534, A PAN-BCR-ABL INHIBITOR FOR CHRONIC MYELOID LEUKEMIA, POTENTLY INHIBITS THE T315I MUTANT AND OVERCOMES MUTATION-BASED RESISTANCE
Descriptor:Proto-oncogene tyrosine-protein kinase ABL1, 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide
Authors:Zhou, T.
Deposit date:2009-08-05
Release date:2009-11-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:AP24534, a pan-BCR-ABL inhibitor for chronic myeloid leukemia, potently inhibits the T315I mutant and overcomes mutation-based resistance.
Cancer Cell, 16, 2009
5O6C
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CRYSTAL STRUCTURE OF A THREONINE-SELECTIVE RCR E3 LIGASE
Descriptor:E3 ubiquitin-protein ligase MYCBP2, ZINC ION
Authors:Pao, K.-C., Rafie, K.Z., van Aalten, D., Virdee, S.
Deposit date:2017-06-06
Release date:2018-04-18
Last modified:2018-05-02
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Activity-based E3 ligase profiling uncovers an E3 ligase with esterification activity.
Nature, 556, 2018
6N13
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UBCH7-UB COMPLEX WITH R0RBR PARKIN AND PHOSPHOUBIQUITIN
Descriptor:E3 ubiquitin-protein ligase parkin, ubiquitin, Ubiquitin-conjugating enzyme E2 L3, ...
Authors:Condos, T.E.C., Dunkerley, K.M., Freeman, E.A., Barber, K.R., Aguirre, J.D., Chaugule, V.K., Xiao, Y., Konermann, L., Walden, H., Shaw, G.S.
Deposit date:2018-11-08
Release date:2018-11-28
Last modified:2020-01-08
Method:SOLUTION NMR
Cite:Synergistic recruitment of UbcH7~Ub and phosphorylated Ubl domain triggers parkin activation.
EMBO J., 37, 2018
170383
PDB entries from 2020-10-28