Author results

6EN4
  • Download 6en4
  • View 6en4
Molmil generated image of 6en4
SF3B CORE IN COMPLEX WITH A SPLICING MODULATOR
Descriptor:Splicing factor 3B subunit 3, Splicing factor 3B subunit 5, Splicing factor 3B subunit 1, ...
Authors:Cretu, C., Pena, V.
Deposit date:2017-10-04
Release date:2018-06-20
Method:X-RAY DIFFRACTION (3.08 Å)
Cite:Structural Basis of Splicing Modulation by Antitumor Macrolide Compounds.
Mol. Cell, 70, 2018
5ZYA
  • Download 5zya
  • View 5zya
Molmil generated image of 5zya
SF3B SPLICEOSOMAL COMPLEX BOUND TO E7107
Descriptor:Splicing factor 3B subunit 5, Splicing factor 3B subunit 1, PHD finger-like domain-containing protein 5A, ...
Authors:Finci, L.I., Larsen, N.A.
Deposit date:2018-05-23
Release date:2018-06-20
Method:ELECTRON MICROSCOPY (3.95 Å)
Cite:The cryo-EM structure of the SF3b spliceosome complex bound to a splicing modulator reveals a pre-mRNA substrate competitive mechanism of action
Genes Dev., 32, 2018
5ND7
  • Download 5nd7
  • View 5nd7
Molmil generated image of 5nd7
MICROTUBULE-BOUND MKLP2 MOTOR DOMAIN IN THE PRESENCE OF AMPPNP
Descriptor:Kinesin-like protein KIF20A, Tubulin alpha chain, Tubulin beta-2B chain, ...
Authors:Atherton, J., Yu, I.-M., Cook, A., Muretta, J.M., Joseph, A.P., Major, J., Sourigues, Y., Clause, J., Topf, M., Rosenfeld, S.S., Houdusse, A., Moores, C.A.
Deposit date:2017-03-07
Release date:2017-10-04
Method:ELECTRON MICROSCOPY (7.9 Å)
Cite:The divergent mitotic kinesin MKLP2 exhibits atypical structure and mechanochemistry.
Elife, 6, 2017
5ND4
  • Download 5nd4
  • View 5nd4
Molmil generated image of 5nd4
MICROTUBULE-BOUND MKLP2 MOTOR DOMAIN IN THE PRESENCE OF ADP.ALFX
Descriptor:Kinesin-like protein KIF20A, Tubulin alpha chain, Tubulin beta-2B chain, ...
Authors:Atherton, J., Yu, I.-M., Cook, A., Muretta, J.M., Joseph, A.P., Major, J., Sourigues, Y., Clause, J., Topf, M., Rosenfeld, S.S., Houdusse, A., Moores, C.A.
Deposit date:2017-03-07
Release date:2017-10-04
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:The divergent mitotic kinesin MKLP2 exhibits atypical structure and mechanochemistry.
Elife, 6, 2017
5ND3
  • Download 5nd3
  • View 5nd3
Molmil generated image of 5nd3
MICROTUBULE-BOUND MKLP2 MOTOR DOMAIN IN THE WITH NO NUCLEOTIDE
Descriptor:Kinesin-like protein KIF20A, Tubulin alpha chain, Tubulin beta-2B chain, ...
Authors:Atherton, J., Yu, I.M., Cook, A., Muretta, J.M., Joseph, A.P., Major, J., Sourigues, Y., Clause, J., Topf, M., Rosenfeld, S.S., Houdusse, A., Moores, C.A.
Deposit date:2017-03-07
Release date:2017-10-04
Method:ELECTRON MICROSCOPY (6.1 Å)
Cite:The divergent mitotic kinesin MKLP2 exhibits atypical structure and mechanochemistry.
Elife, 6, 2017
5ND2
  • Download 5nd2
  • View 5nd2
Molmil generated image of 5nd2
MICROTUBULE-BOUND MKLP2 MOTOR DOMAIN IN THE PRESENCE OF ADP
Descriptor:Kinesin-like protein KIF20A, Tubulin alpha chain, Tubulin beta-2B chain, ...
Authors:Atherton, J., Yu, I.M., Cook, A., Muretta, J.M., Joseph, A.P., Major, J., Sourigues, Y., Clause, J., Topf, M., Rosenfeld, S.S., Houdusse, A., Moores, C.A.
Deposit date:2017-03-07
Release date:2017-10-04
Method:ELECTRON MICROSCOPY (5.8 Å)
Cite:The divergent mitotic kinesin MKLP2 exhibits atypical structure and mechanochemistry.
Elife, 6, 2017
4M15
  • Download 4m15
  • View 4m15
Molmil generated image of 4m15
CRYSTAL STRUCTURE OF ITK IN COMPLEX WITH COMPOUND 9 [4-(CARBAMOYLAMINO)-1-[7-(PROPAN-2-YLOXY)NAPHTHALEN-1-YL]-1H-PYRAZOLE-3-CARBOXAMIDE] AND ADP
Descriptor:Tyrosine-protein kinase ITK/TSK, 4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide, ADENOSINE-5'-DIPHOSPHATE
Authors:Han, S., Caspers, N.L.
Deposit date:2013-08-02
Release date:2014-04-02
Last modified:2014-06-04
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4M14
  • Download 4m14
  • View 4m14
Molmil generated image of 4m14
CRYSTAL STRUCTURE OF ITK IN COMPLEX WITH COMPOUND 9 [4-(CARBAMOYLAMINO)-1-[7-(PROPAN-2-YLOXY)NAPHTHALEN-1-YL]-1H-PYRAZOLE-3-CARBOXAMIDE]
Descriptor:Tyrosine-protein kinase ITK/TSK, 4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide
Authors:Han, S., Caspers, N.L.
Deposit date:2013-08-02
Release date:2014-04-02
Last modified:2014-06-04
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4M13
  • Download 4m13
  • View 4m13
Molmil generated image of 4m13
CRYSTAL STRUCTURE OF ITK IN COMPLEX WITH COMPOUND 8 [4-(CARBAMOYLAMINO)-1-(7-PROPOXYNAPHTHALEN-1-YL)-1H-PYRAZOLE-3-CARBOXAMIDE]
Descriptor:Tyrosine-protein kinase ITK/TSK, 4-(carbamoylamino)-1-(7-propoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide
Authors:Han, S., Caspers, N.L.
Deposit date:2013-08-02
Release date:2014-04-02
Last modified:2014-06-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4M12
  • Download 4m12
  • View 4m12
Molmil generated image of 4m12
CRYSTAL STRUCTURE OF ITK IN COMPLEX WITH COMPOUND 7 [4-(CARBAMOYLAMINO)-1-(7-ETHOXYNAPHTHALEN-1-YL)-1H-PYRAZOLE-3-CARBOXAMIDE]
Descriptor:Tyrosine-protein kinase ITK/TSK, 4-(carbamoylamino)-1-(7-ethoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide
Authors:Han, S., Caspers, N.L.
Deposit date:2013-08-02
Release date:2014-04-02
Last modified:2014-06-04
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4M0Z
  • Download 4m0z
  • View 4m0z
Molmil generated image of 4m0z
CRYSTAL STRUCTURE OF ITK IN COMPLEX WITH COMPOUND 5 {4-(CARBAMOYLAMINO)-1-(7-METHOXYNAPHTHALEN-1-YL)-1H-PYRAZOLE-3-CARBOXAMIDE}
Descriptor:Tyrosine-protein kinase ITK/TSK, 4-(carbamoylamino)-1-(7-methoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide
Authors:Han, S., Caspers, N.L.
Deposit date:2013-08-02
Release date:2014-04-02
Last modified:2014-06-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4M0Y
  • Download 4m0y
  • View 4m0y
Molmil generated image of 4m0y
CRYSTAL STRUCTURE OF ITK IN COMPLEX WITH COMPOUND 1 [4-(CARBAMOYLAMINO)-1-(NAPHTHALEN-1-YL)-1H-PYRAZOLE-3-CARBOXAMIDE]
Descriptor:Tyrosine-protein kinase ITK/TSK, 4-(carbamoylamino)-1-(naphthalen-1-yl)-1H-pyrazole-3-carboxamide
Authors:Han, S., Caspers, N.L.
Deposit date:2013-08-02
Release date:2014-04-02
Last modified:2014-06-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4E96
  • Download 4e96
  • View 4e96
Molmil generated image of 4e96
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH THE INHIBITOR PFI-1
Descriptor:Bromodomain-containing protein 4, 2-methoxy-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzenesulfonamide, SODIUM ION, ...
Authors:Filippakopoulos, P., Picaud, S., Felletar, I., Fedorov, O., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Fish, P., Bunnage, M., Owen, D., Knapp, S., Cook, A., Structural Genomics Consortium (SGC)
Deposit date:2012-03-20
Release date:2012-04-18
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Identification of a chemical probe for bromo and extra C-terminal bromodomain inhibition through optimization of a fragment-derived hit.
J.Med.Chem., 55, 2012
4E47
  • Download 4e47
  • View 4e47
Molmil generated image of 4e47
SET7/9 IN COMPLEX WITH INHIBITOR (R)-(3-(3-CYANOPHENYL)-1-OXO-1-(PYRROLIDIN-1-YL)PROPAN-2-YL)-1,2,3,4-TETRAHYDROISOQUINOLINE-6- SULFONAMIDE AND S-ADENOSYLMETHIONINE
Descriptor:Histone-lysine N-methyltransferase SETD7, S-ADENOSYLMETHIONINE, (R)-(3-(3-cyanophenyl)-1-oxo-1-(pyrrolidin-1-yl)propan-2-yl)-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide, ...
Authors:Walker, J.R., Ouyang, H., Dong, A., Fish, P., Cook, A., Barsyte, D., Vedadi, M., Tatlock, J., Owen, D., Bunnage, M., Bountra, C., Weigelt, J., Edwards, A.M., Arrowsmith, C.H., Brown, P.J., Structural Genomics Consortium (SGC)
Deposit date:2012-03-12
Release date:2012-03-28
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Setd7 in Complex with Inhibitor and SAM
To be Published
4CD0
  • Download 4cd0
  • View 4cd0
Molmil generated image of 4cd0
STRUCTURE OF L1196M MUTANT HUMAN ANAPLASTIC LYMPHOMA KINASE IN COMPLEX WITH 2-(5-(6-AMINO-5-((R)-1-(5-FLUORO-2-(2H-1,2,3-TRIAZOL-2- YL)PHENYL)ETHOXY)PYRIDIN-3-YL)-4-METHYLTHIAZOL-2-YL)PROPANE-1,2-DIOL
Descriptor:ALK TYROSINE KINASE RECEPTOR, (2R)-2-[5-(6-amino-5-{(1R)-1-[2-(1,3-dihydro-2H-1,2,3-triazol-2-yl)-5-fluorophenyl]ethoxy}pyridin-3-yl)-4-methyl-1,3-thiazol-2-yl]propane-1,2-diol
Authors:McTigue, M., Deng, Y., Liu, W., Brooun, A., Stewart, A.
Deposit date:2013-10-29
Release date:2014-01-29
Last modified:2014-03-12
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:The Design of Potent and Selective Inhibitors to Overcome Clinical Alk Mutations Resistant to Crizotinib.
J.Med.Chem., 57, 2014
4CCU
  • Download 4ccu
  • View 4ccu
Molmil generated image of 4ccu
STRUCTURE OF THE HUMAN ANAPLASTIC LYMPHOMA KINASE IN COMPLEX WITH 2-(5-(6-AMINO-5-((R)-1-(5-FLUORO-2-(2H-1,2,3-TRIAZOL-2-YL)PHENYL)ETHOXY) PYRIDIN-3-YL)-4-METHYLTHIAZOL-2-YL)PROPAN-2-OL
Descriptor:ALK TYROSINE KINASE RECEPTOR, 2-(5-(6-amino-5-((R)-1-(5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)ethoxy)pyridin-3-yl)-4-methylthiazol-2-yl)propan-2-ol
Authors:McTigue, M., Deng, Y., Liu, W., Brooun, A., Stewart, A.
Deposit date:2013-10-28
Release date:2014-01-29
Last modified:2014-03-12
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Design of Potent and Selective Inhibitors to Overcome Clinical Alk Mutations Resistant to Crizotinib.
J.Med.Chem., 57, 2014
4CCB
  • Download 4ccb
  • View 4ccb
Molmil generated image of 4ccb
STRUCTURE OF THE HUMAN ANAPLASTIC LYMPHOMA KINASE IN COMPLEX WITH 3-((R)-1-(5-FLUORO-2-(2H-1,2,3-TRIAZOL-2-YL)PHENYL)ETHOXY)-5-(5-METHYL-1H- PYRAZOL-4-YL)PYRIDIN-2-AMINE
Descriptor:ALK TYROSINE KINASE RECEPTOR, 3-[(1R)-1-[5-fluoranyl-2-(1,2,3-triazol-2-yl)phenyl]ethoxy]-5-(3-methyl-1H-pyrazol-4-yl)pyridin-2-amine
Authors:McTigue, M., Deng, Y., Liu, W., Brooun, A., Stewart, A.
Deposit date:2013-10-21
Release date:2014-01-29
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:The Design of Potent and Selective Inhibitors to Overcome Clinical Alk Mutations Resistant to Crizotinib.
J.Med.Chem., 57, 2014
1Z3H
  • Download 1z3h
  • View 1z3h
Molmil generated image of 1z3h
THE EXPORTIN CSE1 IN ITS CARGO-FREE, CYTOPLASMIC STATE
Descriptor:Importin alpha re-exporter, MAGNESIUM ION
Authors:Cook, A., Fernandez, E., Lindner, D., Ebert, J., Schlenstedt, G., Conti, E.
Deposit date:2005-03-12
Release date:2005-05-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:The structure of the nuclear export receptor cse1 in its cytosolic state reveals a closed conformation incompatible with cargo binding
Mol.Cell, 18, 2005
1W98
  • Download 1w98
  • View 1w98
Molmil generated image of 1w98
THE STRUCTURAL BASIS OF CDK2 ACTIVATION BY CYCLIN E
Descriptor:CELL DIVISION PROTEIN KINASE 2, G1/S-SPECIFIC CYCLIN E1
Authors:Lowe, E.D., Honda, R., Dubinina, E., Skamnaki, V., Cook, A., Johnson, L.N.
Deposit date:2004-10-07
Release date:2005-02-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The Structure of Cyclin E1/Cdk2: Implications for Cdk2 Activation and Cdk2-Independent Roles
Embo J., 24, 2005
1GY3
  • Download 1gy3
  • View 1gy3
Molmil generated image of 1gy3
PCDK2/CYCLIN A IN COMPLEX WITH MGADP, NITRATE AND PEPTIDE SUBSTRATE
Descriptor:CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, SUBSTRATE PEPTIDE, ...
Authors:Cook, A., Lowe, E.D., Chrysina, E.D., Skamnaki, V.T., Oikonomakos, N.G., Johnson, L.N.
Deposit date:2002-04-19
Release date:2002-04-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Studies on Phospho-Cdk2/Cyclin a Bound to Nitrate, a Transition State Analogue: Implications for the Protein Kinase Mechanism
Biochemistry, 41, 2002
1E5A
  • Download 1e5a
  • View 1e5a
Molmil generated image of 1e5a
STRUCTURE OF HUMAN TRANSTHYRETIN COMPLEXED WITH BROMOPHENOLS: A NEW MODE OF BINDING
Descriptor:TRANSTHYRETIN, 2,4,6-TRIBROMOPHENOL
Authors:Ghosh, M., Meerts, I.A.T.M., Cook, A., Bergman, A., Brouwer, A., Johnson, L.N.
Deposit date:2000-07-20
Release date:2000-08-29
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of Human Transthyretin Complexed with Bromophenols : A New Mode of Binding
Acta Crystallogr.,Sect.D, 56, 2000
1E4H
  • Download 1e4h
  • View 1e4h
Molmil generated image of 1e4h
STRUCTURE OF HUMAN TRANSTHYRETIN COMPLEXED WITH BROMOPHENOLS: A NEW MODE OF BINDING
Descriptor:TRANSTHYRETIN, GLYCEROL, PENTABROMOPHENOL
Authors:Ghosh, M., Meerts, I.A.T.M., Cook, A., Bergman, A., Brouwer, A., Johnson, L.N.
Deposit date:2000-07-04
Release date:2000-08-29
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of Human Transthyretin Complexed with Bromophenols : A New Mode of Binding
Acta Crystallogr.,Sect.D, 56, 2000
1E3F
  • Download 1e3f
  • View 1e3f
Molmil generated image of 1e3f
STRUCTURE OF HUMAN TRANSTHYRETIN COMPLEXED WITH BROMOPHENOLS: A NEW MODE OF BINDING
Descriptor:TRANSTHYRETIN
Authors:Ghosh, M., Meerts, I.A.T.M., Cook, A., Bergman, A., Brouwer, A., Johnson, L.N.
Deposit date:2000-06-14
Release date:2000-08-29
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of Human Transthyretin Complexed with Bromophenols : A New Mode of Binding
Acta Crystallogr.,Sect.D, 56, 2000