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6FTX
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BU of 6ftx by Molmil
Structure of the chromatin remodelling enzyme Chd1 bound to a ubiquitinylated nucleosome
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Chromatin-remodeling ATPase, ...
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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BU of 6g0l by Molmil
Structure of two molecules of the chromatin remodelling enzyme Chd1 bound to a nucleosome
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Chromo domain-containing protein 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
2VS0
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BU of 2vs0 by Molmil
Structural analysis of homodimeric staphylococcal aureus virulence factor EsxA
Descriptor: CACODYLATE ION, VIRULENCE FACTOR ESXA, ZINC 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
2VRZ
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BU of 2vrz by Molmil
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
2IYP
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BU of 2iyp by Molmil
product rup
Descriptor: 6-PHOSPHOGLUCONATE DEHYDROGENASE, DECARBOXYLATING, ADENOSINE-2'-5'-DIPHOSPHATE, ...
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
2IZ1
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BU of 2iz1 by Molmil
6PDH complexed with PEX inhibitor synchrotron data
Descriptor: 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, 4-PHOSPHO-D-ERYTHRONOHYDROXAMIC ACID, ...
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
2IZ0
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BU of 2iz0 by Molmil
PEX inhibitor-home data
Descriptor: 1,2-ETHANEDIOL, 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ...
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
2IYO
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BU of 2iyo by Molmil
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:2023-12-13
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
2C7Y
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BU of 2c7y by Molmil
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:2023-12-13
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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BU of 2c7z by Molmil
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:2023-12-13
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
8OV6
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BU of 8ov6 by Molmil
Ternary structure of intramolecular bivalent glue degrader IBG1 bound to BRD4 and DCAF16:DDB1deltaBPB
Descriptor: Bromodomain-containing protein 4, DDB1- and CUL4-associated factor 16, DDB1deltaBPB, ...
Authors:Cowan, A.D, Sundaramoorthy, R, Nakasone, M.A, Ciulli, A.
Deposit date:2023-04-25
Release date:2023-05-17
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.77 Å)
Cite:Targeted protein degradation via intramolecular bivalent glues.
Nature, 627, 2024
5N2W
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BU of 5n2w by Molmil
WT-Parkin and pUB complex
Descriptor: CHLORIDE ION, E3 ubiquitin-protein ligase parkin,E3 ubiquitin-protein ligase parkin, Polyubiquitin-B, ...
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:2024-01-17
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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BU of 5n38 by Molmil
S65DParkin and pUB complex
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, E3 ubiquitin-protein ligase parkin,E3 ubiquitin-protein ligase parkin, ...
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:2024-01-17
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
5C23
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BU of 5c23 by Molmil
Parkin (S65DUblR0RBR)
Descriptor: CHLORIDE ION, E3 ubiquitin-protein ligase parkin, 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:2024-01-10
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
5C1Z
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BU of 5c1z by Molmil
Parkin (UblR0RBR)
Descriptor: CHLORIDE ION, E3 ubiquitin-protein ligase parkin, 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:2024-01-10
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
1FBZ
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BU of 1fbz by Molmil
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:2024-02-07
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
5AGC
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BU of 5agc by Molmil
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:2024-01-10
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
8ANE
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BU of 8ane by Molmil
Structure of the type I-G CRISPR effector
Descriptor: Cas7, RNA (66-MER)
Authors:Shangguan, Q, Graham, S, Sundaramoorthy, R, White, M.F.
Deposit date:2022-08-05
Release date:2022-11-09
Last modified:2022-11-16
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure and mechanism of the type I-G CRISPR effector.
Nucleic Acids Res., 50, 2022
8B2X
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BU of 8b2x by Molmil
Structure of the type I-G CRISPR effector
Descriptor: Type I-G CRISPR Cascade large subunit CSX17
Authors:Shangguan, Q, Graham, S, Sundaramoorthy, R, White, M.F.
Deposit date:2022-09-15
Release date:2022-11-09
Last modified:2022-11-16
Method:ELECTRON MICROSCOPY (8 Å)
Cite:Structure and mechanism of the type I-G CRISPR effector.
Nucleic Acids Res., 50, 2022
2XB0
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BU of 2xb0 by Molmil
DNA-binding domain from Saccharomyces cerevisiae chromatin- remodelling protein Chd1
Descriptor: CHLORIDE ION, CHROMO DOMAIN-CONTAINING PROTEIN 1, GLYCEROL
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
1IJR
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BU of 1ijr by Molmil
Crystal structure of LCK SH2 complexed with nonpeptide phosphotyrosine mimetic
Descriptor: (4-{2-ACETYLAMINO-2-[1-(3-CARBAMOYL-4-CYCLOHEXYLMETHOXY-PHENYL)-ETHYLCARBAMOYL}-ETHYL}-2-PHOSPHONO-PHENOXY)-ACETIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE LCK
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:2024-02-07
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
5O6C
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BU of 5o6c by Molmil
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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BU of 6n13 by Molmil
UbcH7-Ub Complex with R0RBR Parkin and phosphoubiquitin
Descriptor: E3 ubiquitin-protein ligase parkin, Ubiquitin-conjugating enzyme E2 L3, ZINC ION, ...
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
3IK3
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BU of 3ik3 by Molmil
AP24534, a Pan-BCR-ABL Inhibitor for Chronic Myeloid Leukemia, Potently Inhibits the T315I Mutant and Overcomes Mutation-Based Resistance
Descriptor: 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, Proto-oncogene tyrosine-protein kinase ABL1
Authors:Zhou, T.
Deposit date:2009-08-05
Release date:2009-11-03
Last modified:2023-09-06
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
2BDJ
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BU of 2bdj by Molmil
Src kinase in complex with inhibitor AP23464
Descriptor: 3-[2-(2-CYCLOPENTYL-6-{[4-(DIMETHYLPHOSPHORYL)PHENYL]AMINO}-9H-PURIN-9-YL)ETHYL]PHENOL, Proto-oncogene tyrosine-protein kinase Src
Authors:Dalgarno, D, Stehle, T, Schelling, P, Narula, S, Sawyer, T.
Deposit date:2005-10-20
Release date:2006-10-24
Last modified:2023-08-23
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

 

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