Author results

3ZDU
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CRYSTAL STRUCTURE OF THE HUMAN CDKL3 KINASE DOMAIN
Descriptor:CYCLIN-DEPENDENT KINASE-LIKE 3, [4-({4-[(3-cyclopentyl-1H-pyrazol-5-yl)amino]pyrimidin-2-yl}amino)phenyl]acetonitrile, ZINC ION, ...
Authors:Canning, P., Elkins, J.M., Goubin, S., Mahajan, P., Pike, A.C.W., Quigley, A., MacKenzie, A., Carpenter, E.P., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Bullock, A.
Deposit date:2012-11-30
Release date:2013-03-20
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of the Human Cdkl3 Kinase Domain
To be Published
3ZOS
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STRUCTURE OF THE DDR1 KINASE DOMAIN IN COMPLEX WITH PONATINIB
Descriptor:EPITHELIAL DISCOIDIN DOMAIN-CONTAINING RECEPTOR 1, 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide, 1,2-ETHANEDIOL
Authors:Canning, P., Elkins, J.M., Goubin, S., Mahajan, P., Bradley, A., Coutandin, D., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Bullock, A.
Deposit date:2013-02-22
Release date:2013-05-01
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structural Mechanisms Determining Inhibition of the Collagen Receptor Ddr1 by Selective and Multi-Targeted Type II Kinase Inhibitors
J.Mol.Biol., 426, 2014
4AGU
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CRYSTAL STRUCTURE OF THE HUMAN CDKL1 KINASE DOMAIN
Descriptor:CYCLIN-DEPENDENT KINASE-LIKE 1, N-(5-{[(2S)-4-amino-2-(3-chlorophenyl)butanoyl]amino}-1H-indazol-3-yl)benzamide
Authors:Canning, P., Sharpe, T.D., Allerston, C., Savitsky, P., Pike, A.C.W., Muniz, J.R.C., Chaikuad, A., Kuo, K., Burgess-Brown, N., Ayinampudi, V., Zhang, Y., Thangaratnarajah, C., Ugochukwu, E., Vollmar, M., Krojer, T., Weigelt, J., Arrowsmith, C.H., Edwards, A.M., Bountra, C., von Delft, F., Knapp, S., Bullock, A.
Deposit date:2012-01-31
Release date:2012-02-08
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of the Human Cdkl1 Kinase Domain
To be Published
4BBM
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CRYSTAL STRUCTURE OF THE HUMAN CDKL2 KINASE DOMAIN WITH BOUND TCS 2312
Descriptor:CYCLIN-DEPENDENT KINASE-LIKE 2, 4'-[5-[[3-[(CYCLOPROPYLAMINO)METHYL]PHENYL]AMINO]-1H-PYRAZOL-3-YL]-[1,1'-BIPHENYL]-2,4-DIOL, CHLORIDE ION, ...
Authors:Canning, P., Elkins, J.M., Cooper, C.D.O., Mahajan, P., Daga, N., Berridge, G., Burgess-Brown, N., Muniz, J.R.C., Krojer, T., Arrowsmith, C.H., Edwards, A.M., Bountra, C., von Delft, F., Bullock, A.
Deposit date:2012-09-26
Release date:2012-10-17
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of the Human Cdkl2 Kinase Domain with Bound Tcs 2312
To be Published
4BGQ
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CRYSTAL STRUCTURE OF THE HUMAN CDKL5 KINASE DOMAIN
Descriptor:CYCLIN-DEPENDENT KINASE-LIKE 5, SODIUM ION, [4-({4-[(3-cyclopentyl-1H-pyrazol-5-yl)amino]pyrimidin-2-yl}amino)phenyl]acetonitrile, ...
Authors:Canning, P., Krojer, T., Goubin, S., Mahajan, P., Vollmar, M., Pike, A.C.W., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Bullock, A.
Deposit date:2013-03-28
Release date:2013-05-08
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of the Human Cdkl5 Kinase Domain
To be Published
4BKJ
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CRYSTAL STRUCTURE OF THE HUMAN DDR1 KINASE DOMAIN IN COMPLEX WITH IMATINIB
Descriptor:EPITHELIAL DISCOIDIN DOMAIN-CONTAINING RECEPTOR 1, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, 1,2-ETHANEDIOL
Authors:Canning, P., Elkins, J.M., Goubin, S., Mahajan, P., Krojer, T., Vollmar, M., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Bullock, A.
Deposit date:2013-04-25
Release date:2013-05-22
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Mechanisms Determining Inhibition of the Collagen Receptor Ddr1 by Selective and Multi-Targeted Type II Kinase Inhibitors
J.Mol.Biol., 426, 2014
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
4AAA
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CRYSTAL STRUCTURE OF THE HUMAN CDKL2 KINASE DOMAIN
Descriptor:CYCLIN-DEPENDENT KINASE-LIKE 2, 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE, 1,2-ETHANEDIOL
Authors:Canning, P., Vollmar, M., Cooper, C.D.O., Mahajan, P., Daga, N., Berridge, G., Burgess-Brown, N., Muniz, J.R.C., Krojer, T., von Delft, F., Weigelt, J., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Bullock, A.
Deposit date:2011-11-30
Release date:2011-12-21
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Crystal Structure of the Human Cdkl2 Kinase Domain
To be Published
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
4C8B
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STRUCTURE OF THE KINASE DOMAIN OF HUMAN RIPK2 IN COMPLEX WITH PONATINIB
Descriptor:RECEPTOR-INTERACTING SERINE/THREONINE-PROTEIN KINASE 2, 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide, 1,2-ETHANEDIOL
Authors:Canning, P., Krojer, T., Bradley, A., Mahajan, P., Goubin, S., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Bullock, A.
Deposit date:2013-09-30
Release date:2013-10-16
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Inflammatory Signaling by NOD-RIPK2 Is Inhibited by Clinically Relevant Type II Kinase Inhibitors.
Chem. Biol., 22, 2015
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
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
2YPS
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CRYSTAL STRUCTURE OF THE PX DOMAIN OF HUMAN SORTING NEXIN 3
Descriptor:SORTING NEXIN-3
Authors:Canning, P., Kiyani, W., Froese, D.S., Krojer, T., Strain-Damerell, C., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Yue, W.W.
Deposit date:2012-10-31
Release date:2013-03-20
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of the Px Domain of Human Sorting Nexin 3
To be Published
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
4BP8
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OLIGOPEPTIDASE B FROM TRYPANOSOMA BRUCEI - OPEN FORM
Descriptor:OLIGOPEPTIDASE B
Authors:Canning, P., Rea, D., Morty, R., Fulop, V.
Deposit date:2013-05-23
Release date:2014-02-12
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structures of Trypanosoma Brucei Oligopeptidase B Broaden the Paradigm of Catalytic Regulation in Prolyl Oligopeptidase Family Enzymes.
Plos One, 8, 2013
4BP9
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OLIGOPEPTIDASE B FROM TRYPANOSOMA BRUCEI WITH COVALENTLY BOUND ANTIPAIN - CLOSED FORM
Descriptor:OLIGOPEPTIDASSE B, ANTIPAIN
Authors:Canning, P., Rea, D., Morty, R., Fulop, V.
Deposit date:2013-05-23
Release date:2014-02-12
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystal Structures of Trypanosoma Brucei Oligopeptidase B Broaden the Paradigm of Catalytic Regulation in Prolyl Oligopeptidase Family Enzymes.
Plos One, 8, 2013
4CKR
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CRYSTAL STRUCTURE OF THE HUMAN DDR1 KINASE DOMAIN IN COMPLEX WITH DDR1-IN-1
Descriptor:EPITHELIAL DISCOIDIN DOMAIN-CONTAINING RECEPTOR 1, 4-[(4-ethylpiperazin-1-yl)methyl]-n-{4-methyl-3-[(2-oxo-2,3-dihydro-1h-indol-5-yl)oxy]phenyl}-3-(trifluoromethyl)benzamide, 1,2-ETHANEDIOL
Authors:Canning, P., Elkins, J.M., Goubin, S., Mahajan, P., Krojer, T., Newman, J.A., Dixon-Clarke, S., Chaikuad, A., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Bullock, A.
Deposit date:2014-01-07
Release date:2014-01-15
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of a Potent and Selective Ddr1 Receptor Tyrosine Kinase Inhibitor.
Acs Chem.Biol., 8, 2013
4B9D
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CRYSTAL STRUCTURE OF HUMAN NIMA-RELATED KINASE 1 (NEK1) WITH INHIBITOR.
Descriptor:SERINE/THREONINE-PROTEIN KINASE NEK1, [4-(2-AMINO-4-METHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)-AMINE, CHLORIDE ION, ...
Authors:Elkins, J.M., Hanchuk, T.D.M., Lovato, D.V., Basei, F.L., Meirelles, G.V., Kobarg, J., Szklarz, M., Vollmar, M., Mahajan, P., Rellos, P., Zhang, Y., Krojer, T., Pike, A.C.W., Canning, P., von Delft, F., Raynor, J., Bountra, C., Arrowsmith, C., Edwards, A., Knapp, S.
Deposit date:2012-09-04
Release date:2012-09-19
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of Human Nima-Related Kinase 1 (Nek1) with Inhibitor.
To be Published
4DYM
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CRYSTAL STRUCTURE OF THE ACVR1 KINASE DOMAIN IN COMPLEX WITH THE IMIDAZO[1,2-B]PYRIDAZINE INHIBITOR K00135
Descriptor:Activin receptor type-1, SULFATE ION, 1-(3-{6-[(CYCLOPROPYLMETHYL)AMINO]IMIDAZO[1,2-B]PYRIDAZIN-3-YL}PHENYL)ETHANONE, ...
Authors:Chaikuad, A., Sanvitale, C., Cooper, C., Canning, P., Mahajan, P., Daga, N., Petrie, K., Alfano, I., Gileadi, O., Fedorov, O., Krojer, T., Filippakopoulos, P., Muniz, J.R.C., von Delft, F., Weigelt, J., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Bullock, A., Structural Genomics Consortium (SGC)
Deposit date:2012-02-29
Release date:2012-03-21
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Crystal structure of the ACVR1 kinase domain in complex with the imidazo[1,2-b]pyridazine inhibitor K00135
To be Published
4FR4
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CRYSTAL STRUCTURE OF HUMAN SERINE/THREONINE-PROTEIN KINASE 32A (YANK1)
Descriptor:Serine/threonine-protein kinase 32A, STAUROSPORINE, 1,2-ETHANEDIOL
Authors:Chaikuad, A., Elkins, J.M., Krojer, T., Mahajan, P., Goubin, S., Szklarz, M., Tumber, A., Wang, J., Savitsky, P., Shrestha, B., Daga, N., Picaud, S., Fedorov, O., Allerston, C.K., Latwiel, S.V.A., Vollmar, M., Canning, P., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2012-06-26
Release date:2012-07-18
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Crystal structure of human serine/threonine-protein kinase 32A (YANK1)
To be Published
4ASX
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CRYSTAL STRUCTURE OF ACTIVIN RECEPTOR TYPE-IIA (ACVR2A) KINASE DOMAIN IN COMPLEX WITH DIHYDRO-BAUERINE C
Descriptor:ACTIVIN RECEPTOR TYPE-2A, 7,8-bis(chloranyl)-9-methyl-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one, 1,2-ETHANEDIOL
Authors:Williams, E., Chaikuad, A., Canning, P., Kochan, G., Mahajan, P., Cooper, C.D.O., Beltrami, A., Krojer, T., Pohl, B., Bracher, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., von Delft, F., Bullock, A.
Deposit date:2012-05-03
Release date:2012-05-23
Last modified:2018-06-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal Structure of Activin Receptor Type-Iia (Acvr2A) Kinase Domain in Complex with a Beta- Carboline Inhibitor
To be Published
4BC6
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CRYSTAL STRUCTURE OF HUMAN SERINE THREONINE KINASE-10 BOUND TO NOVEL BOSUTINIB ISOFORM 1, PREVIOUSLY THOUGHT TO BE BOSUTINIB
Descriptor:SERINE/THREONINE-PROTEIN KINASE 10, 4-[(3,5-DICHLORO-4-METHOXYPHENYL)AMINO]-6-METHOXY-7-[3-(4-METHYLPIPERAZIN-1-YL)PROPOXY]QUINOLINE-3-CARBONITRILE, 1,2-ETHANEDIOL
Authors:Vollmar, M., Szklarz, M., Chaikuad, A., Elkins, J., Savitsky, P., Azeez, K.A., Salah, E., Krojer, T., Canning, P., Muniz, J.R.C., Bountra, C., Arrowsmith, C.H., von Delft, F., Weigelt, J., Edwards, A., Knapp, S.
Deposit date:2012-10-01
Release date:2012-10-10
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of Human Serine Threonine Kinase- 10 Bound to Novel Bosutinib Isoform 1, Previously Thought to be Bosutinib
To be Published
2XVT
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STRUCTURE OF THE EXTRACELLULAR DOMAIN OF HUMAN RAMP2
Descriptor:RECEPTOR ACTIVITY-MODIFYING PROTEIN 2, CALCIUM ION
Authors:Quigley, A., Pike, A.C.W., Burgess-Brown, N., Krojer, T., Shrestha, L., Goubin, S., Kim, J., Das, S., Muniz, J.R.C., Canning, P., Chaikuad, A., Vollmar, M., von Delft, F., Arrowsmith, C.H., Weigelt, J., Edwards, A.M., Bountra, C., Barr, A.J., Carpenter, E.P.
Deposit date:2010-10-31
Release date:2010-12-29
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure of the Extracellular Domain of Human Ramp2
To be Published
3OP0
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CRYSTAL STRUCTURE OF CBL-C (CBL-3) TKB DOMAIN IN COMPLEX WITH EGFR PY1069 PEPTIDE
Descriptor:Signal transduction protein CBL-C, Epidermal growth factor receptor, SODIUM ION, ...
Authors:Chaikuad, A., Guo, K., Cooper, C.D.O., Ayinampudi, V., Krojer, T., Ugochukwu, E., Muniz, J.R.C., Vollmar, M., Canning, P., von Delft, F., Arrowsmith, C.H., Weigelt, J., Edwards, A.M., Bountra, C., Bullock, A., Structural Genomics Consortium (SGC)
Deposit date:2010-08-31
Release date:2010-10-20
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Crystal structure of Cbl-c (Cbl-3) TKB domain in complex with EGFR pY1069 peptide
To be Published
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