Author results

2IWI
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CRYSTAL STRUCTURE OF THE HUMAN PIM2 IN COMPLEX WITH A RUTHENIUM ORGANOMETALLIC LIGAND RU1
Descriptor:SERINE/THREONINE-PROTEIN KINASE PIM-2, RUTHENIUM-PYRIDOCARBAZOLE-1
Authors:Russo, S., Debreczeni, J.E., Amos, A., Bullock, A.N., Fedorov, O., Niesen, F., Sobott, F., Turnbull, A., Pike, A.C.W., Ugochukwu, E., Papagrigoriou, E., Bunkoczi, G., Gorrec, F., Edwards, A., Arrowsmith, C., Weigelt, J., Sundstrom, M., von Delft, F., Knapp, S.
Deposit date:2006-06-30
Release date:2006-08-02
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of the PIM2 kinase in complex with an organoruthenium inhibitor.
PLoS ONE, 4, 2009
1UJZ
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CRYSTAL STRUCTURE OF THE E7_C/IM7_C COMPLEX; A COMPUTATIONALLY DESIGNED INTERFACE BETWEEN THE COLICIN E7 DNASE AND THE IM7 IMMUNITY PROTEIN
Descriptor:Designed Colicin E7 immunity protein, Designed Colicin E7 DNase
Authors:Kortemme, T., Joachimiak, L.A., Bullock, A.N., Schuler, A.D., Stoddard, B.L., Baker, D.
Deposit date:2003-08-13
Release date:2004-04-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Computational redesign of protein-protein interaction specificity
NAT.STRUCT.MOL.BIOL., 11, 2004
2IVX
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CRYSTAL STRUCTURE OF HUMAN CYCLIN T2 AT 1.8 A RESOLUTION
Descriptor:CYCLIN-T2, 1,2-ETHANEDIOL
Authors:Debreczeni, J.E., Bullock, A.N., Fedorov, O., Savitsky, P., Berridge, G., Das, S., Pike, A.C.W., Turnbull, A., Ugochukwu, E., Papagrigoriou, E., Gorrec, F., Sundstrom, M., Edwards, A., Arrowsmith, C., Weigelt, J., von Delft, F., Knapp, S.
Deposit date:2006-06-21
Release date:2006-07-19
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The structure of P-TEFb (CDK9/cyclin T1), its complex with flavopiridol and regulation by phosphorylation.
EMBO J., 27, 2008
2J2I
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CRYSTAL STRUCTURE OF THE HUMAB PIM1 IN COMPLEX WITH LY333531
Descriptor:PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PIM-1, SULFATE ION, (9R)-9-[(DIMETHYLAMINO)METHYL]-6,7,10,11-TETRAHYDRO-9H,18H-5,21:12,17-DIMETHENODIBENZO[E,K]PYRROLO[3,4-H][1,4,13]OXADIAZACYCLOHEXADECINE-18,20-DIONE
Authors:Debreczeni, J.E., Bullock, A.N., von Delft, F., Sundstrom, M., Arrowsmith, C., Edwards, A., Weigelt, J., Knapp, S.
Deposit date:2006-08-16
Release date:2007-02-13
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A systematic interaction map of validated kinase inhibitors with Ser/Thr kinases.
Proc. Natl. Acad. Sci. U.S.A., 104, 2007
2VAG
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CRYSTAL STRUCTURE OF DI-PHOSPHORYLATED HUMAN CLK1 IN COMPLEX WITH A NOVEL SUBSTITUTED INDOLE INHIBITOR
Descriptor:DUAL SPECIFICITY PROTEIN KINASE CLK1, ethyl 3-[(E)-2-amino-1-cyanoethenyl]-6,7-dichloro-1-methyl-1H-indole-2-carboxylate
Authors:Pike, A.C.W., Bullock, A.N., Fedorov, O., Pilka, E.S., Ugochukwu, E., von Delft, F., Edwards, A., Arrowsmith, C.H., Weigelt, J., Sundstrom, M., Huber, K., Bracher, F., Knapp, S.
Deposit date:2007-08-31
Release date:2007-10-09
Last modified:2011-12-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Specific Clk Inhibitors from a Novel Chemotype for Regulation of Alternative Splicing.
Chem.Biol, 18, 2011
2VPJ
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CRYSTAL STRUCTURE OF THE KELCH DOMAIN OF HUMAN KLHL12
Descriptor:KELCH-LIKE PROTEIN 12, ACETATE ION
Authors:Keates, T., Pike, A.C.W., Bullock, A.N., Salah, E., Filippakopoulos, P., Roos, A.K., von Delft, F., Savitsky, P., Weigelt, J., Edwards, A., Arrowsmith, C.H., Bountra, C., Knapp, S.
Deposit date:2008-02-29
Release date:2008-03-18
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural Basis for Cul3 Assembly with the Btb-Kelch Family of E3 Ubiquitin Ligases.
J.Biol.Chem., 288, 2013
2WU6
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CRYSTAL STRUCTURE OF THE HUMAN CLK3 IN COMPLEX WITH DKI
Descriptor:DUAL SPECIFICITY PROTEIN KINASE CLK3, 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE, SULFATE ION, ...
Authors:Muniz, J.R.C., Fedorov, O., King, O., Filippakopoulos, P., Bullock, A.N., Philips, C., Heightman, T., Ugochukwu, E., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Bountra, C., Knapp, S.
Deposit date:2009-09-30
Release date:2009-10-20
Last modified:2011-12-07
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Specific Clk Inhibitors from a Novel Chemotype for Regulation of Alternative Splicing.
Chem.Biol, 18, 2011
2WU7
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CRYSTAL STRUCTURE OF THE HUMAN CLK3 IN COMPLEX WITH V25
Descriptor:DUAL SPECIFICITY PROTEIN KINASE CLK3, ethyl 3-[(E)-2-amino-1-cyanoethenyl]-6,7-dichloro-1-methyl-1H-indole-2-carboxylate, SULFATE ION, ...
Authors:Muniz, J.R.C., Fedorov, O., King, O., Filippakopoulos, P., Bullock, A.N., Phillips, C., Heightman, T., Ugochukwu, E., von Delft, F., Arrowsmith, C.H., Bracher, F., Huber, K., Edwards, A.M., Weigelt, J., Bountra, C., Knapp, S.
Deposit date:2009-09-30
Release date:2009-10-20
Last modified:2011-12-07
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Specific Clk Inhibitors from a Novel Chemotype for Regulation of Alternative Splicing.
Chem.Biol, 18, 2011
2WZK
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STRUCTURE OF THE CUL5 N-TERMINAL DOMAIN AT 2.05A RESOLUTION.
Descriptor:CULLIN-5, 1,2-ETHANEDIOL
Authors:Muniz, J.R.C., Ayinampudi, V., Zhang, Y., Babon, J.J., Chaikuad, A., Krojer, T., Pike, A.C.W., Vollmar, M., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Bountra, C., Bullock, A.N.
Deposit date:2009-11-30
Release date:2009-12-15
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Molecular Architecture of the Ankyrin Socs Box Family of Cul5-Dependent E3 Ubiquitin Ligases
J.Mol.Biol., 425, 2013
2XN4
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CRYSTAL STRUCTURE OF THE KELCH DOMAIN OF HUMAN KLHL2 (MAYVEN)
Descriptor:KELCH-LIKE PROTEIN 2, SODIUM ION, SULFATE ION, ...
Authors:Canning, P., Hozjan, V., Cooper, C.D.O., Ayinampudi, V., Vollmar, M., Pike, A.C.W., von Delft, F., Weigelt, J., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Bullock, A.N.
Deposit date:2010-07-30
Release date:2010-08-18
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structural Basis for Cul3 Assembly with the Btb-Kelch Family of E3 Ubiquitin Ligases.
J.Biol.Chem., 288, 2013
2XVS
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CRYSTAL STRUCTURE OF HUMAN TTC5 (STRAP) C-TERMINAL OB DOMAIN
Descriptor:TETRATRICOPEPTIDE REPEAT PROTEIN 5, IODIDE ION, 1,2-ETHANEDIOL, ...
Authors:Adams, J., Pike, A.C.W., Maniam, S., Sharpe, T.D., Coutts, A.S., Knapp, S., La Thangue, B., Bullock, A.N.
Deposit date:2010-10-31
Release date:2010-11-17
Last modified:2012-03-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The P53 Cofactor Strap Exhibits an Unexpected Tpr Motif and Oligonucleotide-Binding (Ob)-Fold Structure.
Proc.Natl.Acad.Sci.USA, 109, 2012
2XWC
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CRYSTAL STRUCTURE OF THE DNA BINDING DOMAIN OF HUMAN TP73 REFINED AT 1.8 A RESOLUTION
Descriptor:TUMOUR PROTEIN P73, ZINC ION, TRIS(HYDROXYETHYL)AMINOMETHANE, ...
Authors:Canning, P., Zhang, Y., Vollmar, M., Krojer, T., Ugochukwu, E., Muniz, J.R.C., von Delft, F., Weigelt, J., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Bullock, A.N.
Deposit date:2010-11-03
Release date:2010-11-17
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structural Basis for Aspp2 Recognition by the Tumor Suppressor P73.
J.Mol.Biol., 423, 2012
3JPV
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CRYSTAL STRUCTURE OF HUMAN PROTO-ONCOGENE SERINE THREONINE KINASE (PIM1) IN COMPLEX WITH A CONSENSUS PEPTIDE AND A PYRROLO[2,3-A]CARBAZOLE LIGAND
Descriptor:Proto-oncogene serine/threonine-protein kinase Pim-1, Peptide (PIMTIDE) ARKRRRHPSGPPTA, 1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde
Authors:Filippakopoulos, P., Bullock, A.N., Fedorov, O., Akue-Gedu, R., Rossignol, E., Azzaro, S., Bain, J., Cohen, P., Prudhomme, M., Moreau, P., Amizon, F., von Delft, F., Arrowsmith, C.H., Weigelt, J., Edwards, A., Bountra, C., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2009-09-04
Release date:2009-10-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Synthesis, kinase inhibitory potencies, and in vitro antiproliferative evaluation of new pim kinase inhibitors.
J.Med.Chem., 52, 2009
3QF9
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CRYSTAL STRUCTURE OF HUMAN PROTO-ONCOGENE SERINE THREONINE KINASE (PIM1) IN COMPLEX WITH A CONSENSUS PEPTIDE AND A FURAN-THIAZOLIDINEDIONE LIGAND
Descriptor:Proto-oncogene serine/threonine-protein kinase pim-1, pimtide, 6-{5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}-N-{3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl}naphthalene-1-carboxamide, ...
Authors:Filippakopoulos, P., Bullock, A.N., Fedorov, O., Miduturu, C.V., von Delft, F., Arrowsmith, C.H., Weigelt, J., Edwards, A., Bountra, C., Grey, N., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2011-01-21
Release date:2011-03-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and a furan-thiazolidinedione ligand
To be Published
3ZKJ
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CRYSTAL STRUCTURE OF ANKYRIN REPEAT AND SOCS BOX-CONTAINING PROTEIN 9 (ASB9) IN COMPLEX WITH ELONGINB AND ELONGINC
Descriptor:ANKYRIN REPEAT AND SOCS BOX PROTEIN 9, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 1, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 2, ...
Authors:Muniz, J.R.C., Guo, K., Zhang, Y., Ayinampudi, V., Savitsky, P., Keates, T., Filippakopoulos, P., Vollmar, M., Yue, W.W., Krojer, T., Ugochukwu, E., von Delft, F., Knapp, S., Weigelt, J., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Bullock, A.N.
Deposit date:2013-01-23
Release date:2013-01-30
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Molecular Architecture of the Ankyrin Socs Box Family of Cul5-Dependent E3 Ubiquitin Ligases
J.Mol.Biol., 425, 2013
4A63
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CRYSTAL STRUCTURE OF THE P73-ASPP2 COMPLEX AT 2.6A RESOLUTION
Descriptor:TUMOUR PROTEIN 73, APOPTOSIS STIMULATING OF P53 PROTEIN 2, ZINC ION, ...
Authors:Canning, P., Sharpe, T., Krojer, T., Savitsky, P., Cooper, C.D.O., Salah, E., Keates, T., Muniz, J., Vollmar, M., von Delft, F., Weigelt, J., Arrowsmith, C., Bountra, C., Edwards, A., Bullock, A.N.
Deposit date:2011-10-31
Release date:2011-12-21
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structural Basis for Aspp2 Recognition by the Tumor Suppressor P73.
J.Mol.Biol., 423, 2012
4ABN
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CRYSTAL STRUCTURE OF FULL LENGTH MOUSE STRAP (TTC5)
Descriptor:TETRATRICOPEPTIDE REPEAT PROTEIN 5, 1,2-ETHANEDIOL
Authors:Pike, A.C.W., Bullock, A.N., Kleinekofort, W., Zimmermann, T., Burgess-Brown, N., Sharpe, T.D., Thangaratnarajah, C., Keates, T., Ugochukwu, E., Bunkoczi, G., Uppenberg, J., von Delft, F., Arrowsmith, C.H., Weigelt, J., Edwards, A., Bountra, C., La Thangue, N.B., Knapp, S.
Deposit date:2011-12-09
Release date:2012-01-25
Last modified:2012-03-21
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The P53 Cofactor Strap Exhibits an Unexpected Tpr Motif and Oligonucleotide-Binding (Ob)-Fold Structure.
Proc.Natl.Acad.Sci.USA, 109, 2012
4AP2
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CRYSTAL STRUCTURE OF THE HUMAN KLHL11-CUL3 COMPLEX AT 2.8A RESOLUTION
Descriptor:KELCH-LIKE PROTEIN 11, CULLIN-3, 1,2-ETHANEDIOL, ...
Authors:Canning, P., Cooper, C.D.O., Krojer, T., Filippakopoulos, P., Ayinampudi, V., Arrowsmith, C.H., Edwards, A.M., Bountra, C., von Delft, F., Bullock, A.N., Structural Genomics Consortium (SGC)
Deposit date:2012-03-30
Release date:2012-05-09
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Basis for Cul3 Assembly with the Btb-Kelch Family of E3 Ubiquitin Ligases.
J.Biol.Chem., 288, 2013
4APF
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CRYSTAL STRUCTURE OF THE HUMAN KLHL11-CUL3 COMPLEX AT 3.1A RESOLUTION
Descriptor:KELCH-LIKE PROTEIN 11, CULLIN 3
Authors:Canning, P., Cooper, C.D.O., Krojer, T., Vollmar, M., Ugochukwu, E., Muniz, J.R.C., Ayinampudi, V., Savitsky, P., Arrowsmith, C.H., Edwards, A.M., Bountra, C., von Delft, F., Bullock, A.N., Structural Genomics Consortium (SGC)
Deposit date:2012-04-02
Release date:2012-05-09
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural Basis for Cul3 Assembly with the Btb-Kelch Family of E3 Ubiquitin Ligases.
J.Biol.Chem., 288, 2013
4ASC
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CRYSTAL STRUCTURE OF THE KELCH DOMAIN OF HUMAN KBTBD5
Descriptor:KELCH REPEAT AND BTB DOMAIN-CONTAINING PROTEIN 5, 1,2-ETHANEDIOL
Authors:Canning, P., Ayinampudi, V., Krojer, T., Strain-Damerell, C., Raynor, J., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Bullock, A.N., Structural Genomics Consortium (SGC)
Deposit date:2012-04-30
Release date:2012-05-09
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural Basis for Cul3 Assembly with the Btb-Kelch Family of E3 Ubiquitin Ligases.
J.Biol.Chem., 288, 2013
4AYT
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STRUCTURE OF THE HUMAN MITOCHONDRIAL ABC TRANSPORTER, ABCB10
Descriptor:ATP-BINDING CASSETTE SUB-FAMILY B MEMBER 10 MITOCHONDRIAL, GLYCINE, MAGNESIUM ION, ...
Authors:Pike, A.C.W., Shintre, C.A., Li, Q., Kim, J., von Delft, F., Barr, A.J., Das, S., Chaikuad, A., Xia, X., Quigley, A., Dong, Y., Dong, L., Krojer, T., Vollmar, M., Muniz, J.R.C., Bray, J.E., Berridge, G., Chalk, R., Gileadi, O., Burgess-Brown, N., Shrestha, L., Goubin, S., Yang, J., Mahajan, P., Mukhopadhyay, S., Bullock, A.N., Arrowsmith, C.H., Weigelt, J., Bountra, C., Edwards, A.M., Carpenter, E.P.
Deposit date:2012-06-22
Release date:2012-07-11
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structures of Abcb10, a Human ATP-Binding Cassette Transporter in Apo- and Nucleotide-Bound States
Proc.Natl.Acad.Sci.USA, 110, 2013
4AYW
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STRUCTURE OF THE HUMAN MITOCHONDRIAL ABC TRANSPORTER, ABCB10 (PLATE FORM)
Descriptor:ATP-BINDING CASSETTE SUB-FAMILY B MEMBER 10, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, DODECYL-BETA-D-MALTOSIDE, ...
Authors:Pike, A.C.W., Shintre, C.A., Li, Q., Kim, J., von Delft, F., Barr, A.J., Das, S., Chaikuad, A., Xia, X., Quigley, A., Dong, Y., Dong, L., Krojer, T., Vollmar, M., Muniz, J.R.C., Bray, J.E., Berridge, G., Chalk, R., Gileadi, O., Burgess-Brown, N., Shrestha, L., Goubin, S., Yang, J., Mahajan, P., Mukhopadhyay, S., Bullock, A.N., Arrowsmith, C.H., Weigelt, J., Bountra, C., Edwards, A.M., Carpenter, E.P.
Deposit date:2012-06-22
Release date:2012-07-11
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structures of Abcb10, a Human ATP-Binding Cassette Transporter in Apo- and Nucleotide-Bound States
Proc.Natl.Acad.Sci.USA, 110, 2013
4AYX
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STRUCTURE OF THE HUMAN MITOCHONDRIAL ABC TRANSPORTER, ABCB10 (ROD FORM B)
Descriptor:ATP-BINDING CASSETTE SUB-FAMILY B MEMBER 10, GLYCINE, MAGNESIUM ION, ...
Authors:Pike, A.C.W., Shintre, C.A., Li, Q., Kim, J., von Delft, F., Barr, A.J., Das, S., Chaikuad, A., Xia, X., Quigley, A., Dong, Y., Dong, L., Krojer, T., Vollmar, M., Muniz, J.R.C., Bray, J.E., Berridge, G., Chalk, R., Gileadi, O., Burgess-Brown, N., Shrestha, L., Goubin, S., Yang, J., Mahajan, P., Mukhopadhyay, S., Bullock, A.N., Arrowsmith, C.H., Weigelt, J., Bountra, C., Edwards, A.M., Carpenter, E.P.
Deposit date:2012-06-22
Release date:2012-07-11
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structures of Abcb10, a Human ATP-Binding Cassette Transporter in Apo- and Nucleotide-Bound States
Proc.Natl.Acad.Sci.USA, 110, 2013
5L6W
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STRUCTURE OF THE LIMK1-ATPGAMMAS-CFL1 COMPLEX
Descriptor:LIM domain kinase 1, Cofilin-1, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
Authors:Salah, E., Mathea, S., Oerum, S., Newman, J.A., Tallant, C., Adamson, R., Canning, P., Beltrami, A., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Knapp, S., Bullock, A.N.
Deposit date:2016-05-31
Release date:2016-06-08
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Structure Of the LIMK1-ATPgammaS-CFL1 Complex
To Be Published
5NXC
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LIM DOMAIN KINASE 1 (LIMK1) IN COMPLEX WITH PF-00477736
Descriptor:LIM domain kinase 1, (2~{R})-2-azanyl-2-cyclohexyl-~{N}-[2-(1-methylpyrazol-4-yl)-9-oxidanylidene-3,10,11-triazatricyclo[6.4.1.0^{4,13}]trideca-1,4,6,8(13),11-pentaen-6-yl]ethanamide
Authors:Mathea, S., Salah, E., Pike, A.C.W., Bushell, S., Carpenter, E.P., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Bullock, A.N., Knapp, S.
Deposit date:2017-05-10
Release date:2017-05-24
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:LIM Domain Kinase (LIMK1) In Complex With PF-00477736
To Be Published