4QSX
 
 | | Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with 3'-deoxy thymidine | | Descriptor: | 1,2-ETHANEDIOL, 1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methylpyrimidine-2,4(1H,3H)-dione, ATPase family AAA domain-containing protein 2, ... | | Authors: | Chaikuad, A, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-07-06 | | Release date: | 2014-07-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Structure-based approaches towards identification of fragments for the low-druggability ATAD2 bromodomain
MedChemComm, 5, 2014
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4DYM
 | | Crystal structure of the ACVR1 kinase domain in complex with the imidazo[1,2-b]pyridazine inhibitor K00135 | | Descriptor: | 1-(3-{6-[(CYCLOPROPYLMETHYL)AMINO]IMIDAZO[1,2-B]PYRIDAZIN-3-YL}PHENYL)ETHANONE, Activin receptor type-1, GLYCEROL, ... | | 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 | | Last modified: | 2023-09-13 | | 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
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4FR4
 | | Crystal structure of human serine/threonine-protein kinase 32A (YANK1) | | Descriptor: | 1,2-ETHANEDIOL, STAUROSPORINE, Serine/threonine-protein kinase 32A | | 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 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Crystal structure of human serine/threonine-protein kinase 32A (YANK1)
To be Published
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3T7L
 | | Crystal structure of the FYVE domain of endofin (ZFYVE16) at 1.1A resolution | | Descriptor: | 1,2-ETHANEDIOL, ZINC ION, Zinc finger FYVE domain-containing protein 16 | | 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 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.09 Å) | | Cite: | Crystal structure of the FYVE domain of endofin (ZFYVE16) at 1.1A resolution
To be Published
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3MDY
 | | Crystal structure of the cytoplasmic domain of the bone morphogenetic protein receptor type-1B (BMPR1B) in complex with FKBP12 and LDN-193189 | | Descriptor: | 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline, Bone morphogenetic protein receptor type-1B, Peptidyl-prolyl cis-trans isomerase FKBP1A | | 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: | 2023-11-01 | | 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
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3PRY
 | | Crystal structure of the middle domain of human HSP90-beta refined at 2.3 A resolution | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Heat shock protein HSP 90-beta, ... | | 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: | 2023-09-06 | | 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
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3SOC
 | | Crystal structure of Activin receptor type-IIA (ACVR2A) kinase domain in complex with a quinazolin | | Descriptor: | 1,2-ETHANEDIOL, Activin receptor type-2A, [4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)AMINO]QUINAZOLIN-2-YL}IMINO)CYCLOHEXA-2,5-DIEN-1-YL]ACETONITRILE | | 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 | | Last modified: | 2023-09-13 | | 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
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3OP0
 | | Crystal structure of Cbl-c (Cbl-3) TKB domain in complex with EGFR pY1069 peptide | | Descriptor: | Epidermal growth factor receptor, NICKEL (II) ION, 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: | 2023-12-06 | | 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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3OOM
 | | Crystal structure of the ACVR1 kinase domain in complex with the imidazo[1,2-b]pyridazine inhibitor K00507 | | Descriptor: | 1,2-ETHANEDIOL, 1-{3-[6-(tetrahydro-2H-pyran-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl}ethanone, Activin receptor type-1, ... | | 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: | 2023-11-01 | | 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
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4C57
 | | Structure of GAK kinase in complex with a nanobody | | Descriptor: | (2Z,3E)-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE 3-{O-[(3R)-3,4-DIHYDROXYBUTYL]OXIME}, 1,2-ETHANEDIOL, Cyclin-G-associated kinase, ... | | 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: | 2023-12-20 | | 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
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4C58
 | | Structure of GAK kinase in complex with nanobody (NbGAK_4) | | Descriptor: | 1,2-ETHANEDIOL, 9-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE, Cyclin-G-associated kinase, ... | | 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: | 2023-12-20 | | 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
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4C59
 | | Structure of GAK kinase in complex with nanobody (NbGAK_4) | | Descriptor: | (2Z,3E)-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE 3-{O-[(3R)-3,4-DIHYDROXYBUTYL]OXIME}, Cyclin-G-associated kinase, NANOBODY | | 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: | 2023-12-20 | | 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
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3MXO
 | | Crystal structure oh human phosphoglycerate mutase family member 5 (PGAM5) | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | 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: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structures of PGAM5 Provide Insight into Active Site Plasticity and Multimeric Assembly.
Structure, 25, 2017
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3PFV
 | | Crystal structure of Cbl-b TKB domain in complex with EGFR pY1069 peptide | | Descriptor: | 1,2-ETHANEDIOL, 11-meric peptide from Epidermal growth factor receptor, CHLORIDE 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: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Crystal structure of Cbl-b TKB domain in complex with EGFR pY1069 peptide
To be Published
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3H9R
 | | Crystal structure of the kinase domain of type I activin receptor (ACVR1) in complex with FKBP12 and dorsomorphin | | Descriptor: | 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine, Activin receptor type-1, Peptidyl-prolyl cis-trans isomerase FKBP1A, ... | | 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: | 2023-09-06 | | 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
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3G2F
 | | Crystal structure of the kinase domain of bone morphogenetic protein receptor type II (BMPR2) at 2.35 A resolution | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Bone morphogenetic protein receptor type-2, ... | | Authors: | Chaikuad, A, Thangaratnarajah, C, Roos, A.K, Filippakopoulos, P, Salah, E, Phillips, C, Keates, T, Fedorov, O, Chalk, R, Petrie, K, 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: | 2009-01-31 | | Release date: | 2009-02-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural consequences of BMPR2 kinase domain mutations causing pulmonary arterial hypertension.
Sci Rep, 9, 2019
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3O0T
 | | Crystal structure of human phosphoglycerate mutase family member 5 (PGAM5) in complex with phosphate | | Descriptor: | 1,2-ETHANEDIOL, PHOSPHATE ION, Serine/threonine-protein phosphatase PGAM5, ... | | 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: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structures of PGAM5 Provide Insight into Active Site Plasticity and Multimeric Assembly.
Structure, 25, 2017
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2A92
 | | Crystal structure of lactate dehydrogenase from Plasmodium vivax: complex with NADH | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, L-lactate dehydrogenase | | 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: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Structure of Lactate Dehydrogenase from Plasmodium vivax: Complexes with NADH and APADH.
Biochemistry, 44, 2005
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2A94
 | | Structure of Plasmodium falciparum lactate dehydrogenase complexed to APADH. | | Descriptor: | ACETYL PYRIDINE ADENINE DINUCLEOTIDE, REDUCED, L-lactate dehydrogenase | | 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: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure of Lactate Dehydrogenase from Plasmodium vivax: Complexes with NADH and APADH.
Biochemistry, 44, 2005
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4XWX
 | | Crystal structure of the PTB domain of SHC | | Descriptor: | 1,2-ETHANEDIOL, SHC-transforming protein 1, SODIUM ION | | Authors: | Chaikuad, A, Tallant, C, Krojer, T, Dixon-Clarke, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-01-29 | | Release date: | 2015-02-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Crystal structure of the PTB domain of SHC
To Be Published
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2AA3
 | | Crystal structure of Plasmodium vivax lactate dehydrogenase complex with APADH | | Descriptor: | ACETYL PYRIDINE ADENINE DINUCLEOTIDE, REDUCED, L-lactate dehydrogenase, ... | | 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: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structure of Lactate Dehydrogenase from Plasmodium vivax: Complexes with NADH and APADH.
Biochemistry, 44, 2005
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3EMV
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3ENZ
 | | Arsenolytic structure of Plasmodium falciparum purine nucleoside phosphorylase with hypoxanthine, ribose and arsenate ion | | Descriptor: | 1,4-anhydro-D-ribitol, ARSENATE, FORMIC ACID, ... | | Authors: | Chaikuad, A, Brady, R.L. | | Deposit date: | 2008-09-26 | | Release date: | 2009-08-04 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Conservation of structure and activity in Plasmodium purine nucleoside phosphorylases.
Bmc Struct.Biol., 9, 2009
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7A78
 | | Crystal structure of RXR beta LBD in complexes with palmitic acid and GRIP-1 peptide | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Nuclear receptor coactivator 2, ... | | Authors: | Chaikuad, A, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-08-27 | | Release date: | 2020-10-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Comprehensive Set of Tertiary Complex Structures and Palmitic Acid Binding Provide Molecular Insights into Ligand Design for RXR Isoforms.
Int J Mol Sci, 21, 2020
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7B2R
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