6T6F
 
 | | Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) bound to compound 8 (CS275) | | 分子名称: | 2-[(3~{S})-3-azanylpiperidin-1-yl]-4-[[3-(trifluoromethyl)phenyl]amino]pyrimidine-5-carboxamide, Calcium/calmodulin-dependent protein kinase type 1D | | 著者 | Sorrell, F, Kraemer, A, Butterworth, S, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2019-10-18 | | 公開日 | 2020-01-15 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | CAMK1D bound to CS275
To Be Published
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4UUC
 | | Crystal structure of human ASB11 ankyrin repeat domain | | 分子名称: | ANKYRIN REPEAT AND SOCS BOX PROTEIN 11 | | 著者 | Pinkas, D.M, Sanvitale, C, Kragh Nielsen, T, Guo, K, Sorrell, F, Berridge, G, Ayinampudi, V, Wang, D, Newman, J.A, Tallant, C, Chaikuad, A, Canning, P, Kopec, J, Krojer, T, Vollmar, M, Allerston, C.K, Chalk, R, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Bullock, A. | | 登録日 | 2014-07-25 | | 公開日 | 2014-08-06 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal Structure of Human Asb11 Ankyrin Repeat Domain
To be Published
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6H00
 | | Crystal structure of human pyridoxine 5-phophate oxidase, R116Q variant | | 分子名称: | 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, Pyridoxine-5'-phosphate oxidase, ... | | 著者 | Mackinnon, S, Wilson, M.P, Shrestha, L, Bezerra, G.A, Newman, J, Fox, N, Sorrell, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Clayton, P.T, Mills, P.B, Yue, W.W. | | 登録日 | 2018-07-05 | | 公開日 | 2018-08-08 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | | 主引用文献 | Crystal structure of human pyridoxine 5-phophate oxidase, R116Q variant
To Be Published
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5A6R
 | | Crystal structure of the BTB domain of human KCTD17 | | 分子名称: | BTB/POZ DOMAIN-CONTAINING PROTEIN KCTD17 | | 著者 | Pinkas, D.M, Sorrell, F, Sanvitale, C.E, Goubin, S, Williams, E, Newman, J.A, Pearce, N.M, Neshich, I, Pike, A.C.W, MacKenzie, A, Quigley, A, Faust, B, Carpenter, E.P, Tallant, C, Kopec, J, Chalk, R, Krojer, T, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | | 登録日 | 2015-06-30 | | 公開日 | 2015-11-04 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Structural complexity in the KCTD family of Cullin3-dependent E3 ubiquitin ligases.
Biochem. J., 474, 2017
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6S1I
 | | Crystal Structure of DYRK1A with small molecule inhibitor | | 分子名称: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, SULFATE ION, TETRAETHYLENE GLYCOL, ... | | 著者 | Sorrell, F.J, Henderson, S.H, Redondo, C, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Elkins, J.M. | | 登録日 | 2019-06-18 | | 公開日 | 2019-06-26 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | | 主引用文献 | Mining Public Domain Data to Develop Selective DYRK1A Inhibitors.
Acs Med.Chem.Lett., 11, 2020
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6T28
 | | Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) bound to compound 19 (CS640) | | 分子名称: | 1,2-ETHANEDIOL, 2-[(3~{S})-3-azanylpiperidin-1-yl]-4-[[2,6-di(propan-2-yl)pyridin-4-yl]amino]pyrimidine-5-carboxamide, Calcium/calmodulin-dependent protein kinase type 1D, ... | | 著者 | Kraemer, A, Sorrell, F, Butterworth, S, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2019-10-08 | | 公開日 | 2019-11-13 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Discovery of Highly Selective Inhibitors of Calmodulin-Dependent Kinases That Restore Insulin Sensitivity in the Diet-Induced Obesityin VivoMouse Model.
J.Med.Chem., 63, 2020
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6T29
 | | Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) bound to compound 18 (CS587) | | 分子名称: | 1,2-ETHANEDIOL, 2-[(3~{S})-3-azanylpiperidin-1-yl]-4-[[3,5-bis(2-cyanopropan-2-yl)phenyl]amino]pyrimidine-5-carboxamide, Calcium/calmodulin-dependent protein kinase type 1D, ... | | 著者 | Kraemer, A, Sorrell, F, Butterworth, S, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2019-10-08 | | 公開日 | 2019-11-13 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.484 Å) | | 主引用文献 | Discovery of Highly Selective Inhibitors of Calmodulin-Dependent Kinases That Restore Insulin Sensitivity in the Diet-Induced Obesityin VivoMouse Model.
J.Med.Chem., 63, 2020
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4TLG
 | | Crystal structure of SEC14-like protein 4 (SEC14L4) | | 分子名称: | 1,2-ETHANEDIOL, SEC14-like protein 4, UNDECANOIC ACID | | 著者 | Vollmar, M, Kopec, J, Kiyani, W, Shrestha, L, Sorrell, F, Krojer, T, Williams, E, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W. | | 登録日 | 2014-05-29 | | 公開日 | 2014-07-02 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Crystal structure of SEC14-like protein 4 (SEC14L4)
To Be Published
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4V24
 | | Sphingosine kinase 1 in complex with PF-543 | | 分子名称: | ACETATE ION, SPHINGOSINE KINASE 1, {(2R)-1-[4-({3-METHYL-5-[(PHENYLSULFONYL)METHYL]PHENOXY}METHYL)BENZYL]PYRROLIDIN-2-YL}METHANOL | | 著者 | Elkins, J.M, Wang, J, Sorrell, F, Tallant, C, Wang, D, Shrestha, L, Bountra, C, von Delft, F, Knapp, S, Edwards, A. | | 登録日 | 2014-10-05 | | 公開日 | 2014-10-15 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal Structure of Sphingosine Kinase 1 with Pf-543.
Acs Med.Chem.Lett., 5, 2014
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5AIL
 | | Human PARP9 2nd macrodomain | | 分子名称: | 1,2-ETHANEDIOL, PHOSPHATE ION, POLY [ADP-RIBOSE] POLYMERASE 9, ... | | 著者 | Sieg, C, Shrestha, L, Talon, R, Sorrell, F, Williams, E, von Delft, F, Bountra, C, Arrowsmith, C, Edwards, A.M, Knapp, S, Elkins, J.M. | | 登録日 | 2015-02-15 | | 公開日 | 2015-02-25 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Structure of Parp9 2Nd Macrodomain
To be Published
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5NNG
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with an acetylated SRPK1 peptide (K585ac) | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, VAG(ALY)YS(ALY)EFFY | | 著者 | Filippakopoulos, P, Picaud, S, Newman, J, Sorrell, F, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Structural Genomics Consortium (SGC) | | 登録日 | 2017-04-08 | | 公開日 | 2018-05-16 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains.
Mol. Cell, 73, 2019
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6G0Q
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with an acetylated GATA1 peptide (K312ac/K315ac) | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, Erythroid transcription factor | | 著者 | Filippakopoulos, P, Picaud, S, Newman, J, Sorrell, F, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C. | | 登録日 | 2018-03-19 | | 公開日 | 2018-11-28 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains.
Mol. Cell, 73, 2019
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6G0O
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with an acetylated ATRX peptide (K1030ac/K1033ac) | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, Transcriptional regulator ATRX | | 著者 | Filippakopoulos, P, Picaud, S, Newman, J, Sorrell, F, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C. | | 登録日 | 2018-03-19 | | 公開日 | 2018-11-28 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains.
Mol. Cell, 73, 2019
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6G0P
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with an acetylated E2F1 peptide (K117ac/K120ac) | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, Transcription factor E2F1 | | 著者 | Filippakopoulos, P, Picaud, S, Krojer, T, Sorrell, F, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C. | | 登録日 | 2018-03-19 | | 公開日 | 2018-11-28 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains.
Mol. Cell, 73, 2019
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6GI6
 | | Crystal structure of the ACVR1 (ALK2) kinase in complex with a Quinazolinone based ALK2 inhibitor with a 5-methyl core. | | 分子名称: | 1,2-ETHANEDIOL, 5-methyl-6-quinolin-5-yl-3~{H}-quinazolin-4-one, Activin receptor type-1, ... | | 著者 | Williams, E, Hudson, L, Bezerra, G.A, Sorrell, F, Mahajan, P, Kupinska, K, Hoelder, S, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | | 登録日 | 2018-05-10 | | 公開日 | 2018-05-23 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Novel Quinazolinone Inhibitors of ALK2 Flip between Alternate Binding Modes: Structure-Activity Relationship, Structural Characterization, Kinase Profiling, and Cellular Proof of Concept.
J. Med. Chem., 61, 2018
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6GIP
 | | Crystal structure of the ACVR1 (ALK2) kinase in complex with a Quinazolinone based ALK2 inhibitor with a 2, 5-dimethyl core. | | 分子名称: | 1,2-ETHANEDIOL, 2,5-dimethyl-6-quinolin-4-yl-3~{H}-quinazolin-4-one, Activin receptor type-1, ... | | 著者 | Williams, E, Hudson, L, Bezerra, G.A, Sorrell, F, Mathea, S, Chen, Z, Mahajan, P, Kupinska, K, Hoelder, S, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | | 登録日 | 2018-05-14 | | 公開日 | 2018-05-23 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | | 主引用文献 | Novel Quinazolinone Inhibitors of ALK2 Flip between Alternate Binding Modes: Structure-Activity Relationship, Structural Characterization, Kinase Profiling, and Cellular Proof of Concept.
J. Med. Chem., 61, 2018
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6GY5
 | | Crystal structure of the kelch domain of human KLHL20 in complex with DAPK1 peptide | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Death-associated protein kinase 1, ... | | 著者 | Chen, Z, Hozjan, V, Strain-Damerell, C, Williams, E, Wang, D, Cooper, C.D.O, Sanvitale, C.E, Fairhead, M, Carpenter, E.P, Pike, A.C.W, Krojer, T, Srikannathasan, V, Sorrell, F, Johansson, C, Mathea, S, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | | 登録日 | 2018-06-28 | | 公開日 | 2018-08-08 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.086 Å) | | 主引用文献 | Structural Basis for Recruitment of DAPK1 to the KLHL20 E3 Ligase.
Structure, 27, 2019
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