Author results

3MDY
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CRYSTAL STRUCTURE OF THE CYTOPLASMIC DOMAIN OF THE BONE MORPHOGENETIC PROTEIN RECEPTOR TYPE-1B (BMPR1B) IN COMPLEX WITH FKBP12 AND LDN-193189
Descriptor:Bone morphogenetic protein receptor type-1B, Peptidyl-prolyl cis-trans isomerase FKBP1A, 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
Authors:Chaikuad, A., Sanvitale, C., Mahajan, P., Daga, N., Cooper, C., Krojer, T., Alfano, I., Knapp, S., von Delft, F., Weigelt, J., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Bullock, A., Structural Genomics Consortium (SGC)
Deposit date:2010-03-31
Release date:2010-05-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of the cytoplasmic domain of the bone morphogenetic protein receptor type-1B (BMPR1B) in complex with FKBP12 and LDN-193189
To be Published
3OOM
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CRYSTAL STRUCTURE OF THE ACVR1 KINASE DOMAIN IN COMPLEX WITH THE IMIDAZO[1,2-B]PYRIDAZINE INHIBITOR K00507
Descriptor:Activin receptor type-1, PHOSPHATE ION, 1-{3-[6-(tetrahydro-2H-pyran-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl}ethanone, ...
Authors:Chaikuad, A., Sanvitale, C., Cooper, C., Mahajan, P., Daga, N., Petrie, K., Alfano, I., Gileadi, O., Fedorov, O., Allerston, C., Krojer, T., von Delft, F., Weigelt, J., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Bullock, A., Structural Genomics Consortium (SGC)
Deposit date:2010-08-31
Release date:2010-10-13
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the ACVR1 kinase domain in complex with the imidazo[1,2-b]pyridazine inhibitor K00507
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
3PFV
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CRYSTAL STRUCTURE OF CBL-B TKB DOMAIN IN COMPLEX WITH EGFR PY1069 PEPTIDE
Descriptor:E3 ubiquitin-protein ligase CBL-B, 11-meric peptide from Epidermal growth factor receptor, SODIUM ION, ...
Authors:Chaikuad, A., Guo, K., Cooper, C.D.O., Ayinampudi, V., Krojer, T., Muniz, J.R.C., Vollmar, M., Canning, P., Gileadi, O., von Delft, F., Arrowsmith, C.H., Weigelt, J., Edwards, A.M., Bountra, C., Bullock, A., Structural Genomics Consortium (SGC)
Deposit date:2010-10-29
Release date:2010-12-08
Last modified:2014-04-02
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Crystal structure of Cbl-b TKB domain in complex with EGFR pY1069 peptide
To be Published
3PRY
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CRYSTAL STRUCTURE OF THE MIDDLE DOMAIN OF HUMAN HSP90-BETA REFINED AT 2.3 A RESOLUTION
Descriptor:Heat shock protein HSP 90-beta, SULFATE ION, GLYCEROL, ...
Authors:Chaikuad, A., Pilka, E., Sharpe, T.D., Cooper, C.D.O., Phillips, C., Berridge, G., Ayinampudi, V., Fedorov, O., Keates, T., Thangaratnarajah, C., Zimmermann, T., Vollmar, M., Yue, W.W., Che, K.H., Krojer, T., Muniz, J.R.C., von Delft, F., Bountra, C., Arrowsmith, C.H., Weigelt, J., Edwards, A., Bullock, A., Structural Genomics Consortium (SGC)
Deposit date:2010-11-30
Release date:2010-12-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Crystal structure of the middle domain of human HSP90-beta refined at 2.3 A resolution
To be Published
3SOC
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CRYSTAL STRUCTURE OF ACTIVIN RECEPTOR TYPE-IIA (ACVR2A) KINASE DOMAIN IN COMPLEX WITH A QUINAZOLIN
Descriptor:Activin receptor type-2A, [4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)AMINO]QUINAZOLIN-2-YL}IMINO)CYCLOHEXA-2,5-DIEN-1-YL]ACETONITRILE, 1,2-ETHANEDIOL
Authors:Chaikuad, A., Williams, E., Mahajan, P., Cooper, C.D.O., Sanvitale, C., Vollmar, M., Muniz, J.R.C., Yue, W.W., von Delft, F., Weigelt, J., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Bullock, A., Structural Genomics Consortium (SGC)
Deposit date:2011-06-30
Release date:2011-07-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of Activin receptor type-IIA (ACVR2A) kinase domain in complex with a quinazolin
To be Published
3T7L
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CRYSTAL STRUCTURE OF THE FYVE DOMAIN OF ENDOFIN (ZFYVE16) AT 1.1A RESOLUTION
Descriptor:Zinc finger FYVE domain-containing protein 16, ZINC ION, 1,2-ETHANEDIOL
Authors:Chaikuad, A., Williams, E., Guo, K., Sanvitale, C., Berridge, G., Krojer, T., Muniz, J.R.C., Canning, P., Phillips, C., Shrestha, A., von Delft, F., Weigelt, J., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Bullock, A., Structural Genomics Consortium (SGC)
Deposit date:2011-07-30
Release date:2011-08-31
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Crystal structure of the FYVE domain of endofin (ZFYVE16) at 1.1A resolution
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
4YU2
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CRYSTAL STRUCTURE OF DYRK1A WITH HARMINE-DERIVATIZED ANNH-75 INHIBITOR
Descriptor:Dual specificity tyrosine-phosphorylation-regulated kinase 1A, TETRAETHYLENE GLYCOL, (1-chloro-7-methoxy-9H-beta-carbolin-9-yl)acetonitrile, ...
Authors:Chaikuad, A., Wurzlbauer, A., Nowak, R., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Bracher, F., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2015-03-18
Release date:2015-03-25
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of DYRK1A with harmine-derivatized AnnH-75 inhibitor
To Be Published
5LXC
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CRYSTAL STRUCTURE OF DYRK2 IN COMPLEX WITH EHT 5372 (COMPOUND 1)
Descriptor:Dual specificity tyrosine-phosphorylation-regulated kinase 2, methyl 9-[(2,4-dichlorophenyl)amino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate, 1,2-ETHANEDIOL
Authors:Chaikuad, A., von Delft, F., Arrowsmith, C.H., Edwards, A., Bountra, C., Besson, T., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2016-09-20
Release date:2016-10-26
Last modified:2017-01-11
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:An Unusual Binding Model of the Methyl 9-Anilinothiazolo[5,4-f] quinazoline-2-carbimidates (EHT 1610 and EHT 5372) Confers High Selectivity for Dual-Specificity Tyrosine Phosphorylation-Regulated Kinases.
J. Med. Chem., 59, 2016
5LXD
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CRYSTAL STRUCTURE OF DYRK2 IN COMPLEX WITH EHT 1610 (COMPOUND 2)
Descriptor:Dual specificity tyrosine-phosphorylation-regulated kinase 2, methyl 9-[(2-fluoranyl-4-methoxy-phenyl)amino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate, 1,2-ETHANEDIOL
Authors:Chaikuad, A., von Delft, F., Arrowsmith, C.H., Edwards, A., Bountra, C., Besson, T., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2016-09-20
Release date:2016-10-26
Last modified:2017-01-11
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:An Unusual Binding Model of the Methyl 9-Anilinothiazolo[5,4-f] quinazoline-2-carbimidates (EHT 1610 and EHT 5372) Confers High Selectivity for Dual-Specificity Tyrosine Phosphorylation-Regulated Kinases.
J. Med. Chem., 59, 2016
3H9R
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CRYSTAL STRUCTURE OF THE KINASE DOMAIN OF TYPE I ACTIVIN RECEPTOR (ACVR1) IN COMPLEX WITH FKBP12 AND DORSOMORPHIN
Descriptor:Activin receptor type-1, Peptidyl-prolyl cis-trans isomerase FKBP1A, 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine, ...
Authors:Chaikuad, A., Alfano, I., Shrestha, B., Muniz, J.R.C., Petrie, K., Fedorov, O., Phillips, C., Bishop, S., Mahajan, P., Pike, A.C.W., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Bountra, C., Knapp, S., Bullock, A., Structural Genomics Consortium (SGC)
Deposit date:2009-04-30
Release date:2009-06-02
Last modified:2012-11-28
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure of the Bone Morphogenetic Protein Receptor ALK2 and Implications for Fibrodysplasia Ossificans Progressiva.
J.Biol.Chem., 287, 2012
3MXO
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CRYSTAL STRUCTURE OH HUMAN PHOSPHOGLYCERATE MUTASE FAMILY MEMBER 5 (PGAM5)
Descriptor:Serine/threonine-protein phosphatase PGAM5, mitochondrial, 1,2-ETHANEDIOL, ...
Authors:Chaikuad, A., Alfano, I., Picaud, S., Filippakopoulos, P., Barr, A., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Bountra, C., Takeda, K., Ichijo, H., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2010-05-07
Release date:2010-09-15
Last modified:2017-07-12
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structures of PGAM5 Provide Insight into Active Site Plasticity and Multimeric Assembly.
Structure, 2017
3O0T
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CRYSTAL STRUCTURE OF HUMAN PHOSPHOGLYCERATE MUTASE FAMILY MEMBER 5 (PGAM5) IN COMPLEX WITH PHOSPHATE
Descriptor:Serine/threonine-protein phosphatase PGAM5, mitochondrial, PHOSPHATE ION, ...
Authors:Chaikuad, A., Alfano, I., Picaud, S., Filippakopoulos, P., Barr, A., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Bountra, C., Takeda, K., Ichijo, H., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2010-07-20
Release date:2010-10-06
Last modified:2017-07-12
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of PGAM5 Provide Insight into Active Site Plasticity and Multimeric Assembly.
Structure, 2017
4C57
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STRUCTURE OF GAK KINASE IN COMPLEX WITH A NANOBODY
Descriptor:Cyclin-G-associated kinase, NANOBODY, SULFATE ION, ...
Authors:Chaikuad, A., Keates, T., Krojer, T., Allerston, C.K., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Knapp, S., Muller-Knapp, S.
Deposit date:2013-09-10
Release date:2013-10-09
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structure of Cyclin G-Associated Kinase (Gak) Trapped in Different Conformations Using Nanobodies.
Biochem.J., 459, 2014
4C58
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STRUCTURE OF GAK KINASE IN COMPLEX WITH NANOBODY (NBGAK_4)
Descriptor:Cyclin-G-associated kinase, nanobody, 1,2-ETHANEDIOL, ...
Authors:Chaikuad, A., Keates, T., Allerston, C.K., Gileadi, O., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Knapp, S., Muller-Knapp, S.
Deposit date:2013-09-10
Release date:2013-10-09
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Structure of cyclin G-associated kinase (GAK) trapped in different conformations using nanobodies.
Biochem. J., 459, 2014
4C59
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STRUCTURE OF GAK KINASE IN COMPLEX WITH NANOBODY (NBGAK_4)
Descriptor:Cyclin-G-associated kinase, NANOBODY, (2Z,3E)-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE 3-{O-[(3R)-3,4-DIHYDROXYBUTYL]OXIME}
Authors:Chaikuad, A., Keates, T., Allerston, C.K., Gileadi, O., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Knapp, S., Muller-Knapp, S.
Deposit date:2013-09-10
Release date:2013-10-09
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of cyclin G-associated kinase (GAK) trapped in different conformations using nanobodies.
Biochem. J., 459, 2014
2A92
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CRYSTAL STRUCTURE OF LACTATE DEHYDROGENASE FROM PLASMODIUM VIVAX: COMPLEX WITH NADH
Descriptor:L-lactate dehydrogenase, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE
Authors:Chaikuad, A., Fairweather, V., Conners, R., Joseph-Horne, T., Turgut-Balik, D., Brady, R.L.
Deposit date:2005-07-11
Release date:2006-01-10
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structure of Lactate Dehydrogenase from Plasmodium vivax: Complexes with NADH and APADH.
Biochemistry, 44, 2005
2A94
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STRUCTURE OF PLASMODIUM FALCIPARUM LACTATE DEHYDROGENASE COMPLEXED TO APADH.
Descriptor:L-lactate dehydrogenase, ACETYL PYRIDINE ADENINE DINUCLEOTIDE, REDUCED
Authors:Chaikuad, A., Fairweather, V., Conners, R., Joseph-Horne, T., Turgut-Balik, D., Brady, R.L.
Deposit date:2005-07-11
Release date:2006-01-10
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of Lactate Dehydrogenase from Plasmodium vivax: Complexes with NADH and APADH.
Biochemistry, 44, 2005
2AA3
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CRYSTAL STRUCTURE OF PLASMODIUM VIVAX LACTATE DEHYDROGENASE COMPLEX WITH APADH
Descriptor:L-lactate dehydrogenase, SULFATE ION, ACETYL PYRIDINE ADENINE DINUCLEOTIDE, ...
Authors:Chaikuad, A., Fairweather, V., Conners, R., Joseph-Horne, T., Turgut-Balik, D., Brady, R.L.
Deposit date:2005-07-13
Release date:2006-01-10
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure of Lactate Dehydrogenase from Plasmodium vivax: Complexes with NADH and APADH.
Biochemistry, 44, 2005
3EMV
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CRYSTAL STRUCTURE OF PLASMODIUM VIVAX PNP WITH SULPHATE
Descriptor:Uridine phosphorylase, putative, SULFATE ION
Authors:Chaikuad, A., Brady, R.L.
Deposit date:2008-09-25
Release date:2009-08-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Conservation of structure and activity in Plasmodium purine nucleoside phosphorylases
Bmc Struct.Biol., 9, 2009
3ENZ
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ARSENOLYTIC STRUCTURE OF PLASMODIUM FALCIPARUM PURINE NUCLEOSIDE PHOSPHORYLASE WITH HYPOXANTHINE, RIBOSE AND ARSENATE ION
Descriptor:Purine nucleoside phosphorylase, HYPOXANTHINE, 1,4-anhydro-D-ribitol, ...
Authors:Chaikuad, A., Brady, R.L.
Deposit date:2008-09-26
Release date:2009-08-04
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Conservation of structure and activity in Plasmodium purine nucleoside phosphorylases.
Bmc Struct.Biol., 9, 2009
3GGE
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CRYSTAL STRUCTURE OF THE PDZ DOMAIN OF PDZ DOMAIN-CONTAINING PROTEIN GIPC2
Descriptor:PDZ domain-containing protein GIPC2, SULFATE ION, GLYCEROL
Authors:Chaikuad, A., Hozjan, V., Yue, W., Cooper, C., Elkins, J., Pike, A.C.W., Roos, A.K., Filippakopoulos, P., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Bountra, C., Oppermann, U., Structural Genomics Consortium (SGC)
Deposit date:2009-02-27
Release date:2009-03-24
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of the PDZ domain of PDZ domain-containing protein GIPC2
To be Published
3H8Q
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CRYSTAL STRUCTURE OF GLUTAREDOXIN DOMAIN OF HUMAN THIOREDOXIN REDUCTASE 3
Descriptor:Thioredoxin reductase 3, SULFATE ION, CHLORIDE ION
Authors:Chaikuad, A., Johansson, C., Ugochukwu, E., Roos, A.K., von Delft, F., Pilka, E., Yue, W., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Bountra, C., Oppermann, U., Structural Genomics Consortium (SGC)
Deposit date:2009-04-29
Release date:2009-05-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Crystal structure of glutaredoxin domain of human thioredoxin reductase 3
To be Published
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