6FJZ
 
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6FI6
 | | Crystal structure of ERK2 in complex with an adenosine derivative | | 分子名称: | (2~{R},3~{R},4~{S},5~{R})-2-(6-azanyl-8-diazanyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... | | 著者 | Gelin, M, Labesse, G. | | 登録日 | 2018-01-17 | | 公開日 | 2019-01-30 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Crystal structure of ERK2 in complex with an adenosine derivative
To be published
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7W5O
 | | Crystal structure of ERK2 with an allosteric inhibitor | | 分子名称: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, 13-[4-({Imidazo[1,2-a]pyridin-2-yl}methoxy)phenyl]-4,8-dioxa-12,14,16,18-tetraazatetracyclo[9.7.0.0^{3,9}.0^{12,17}]octadeca-1(11),2,9,15,17-pentaen-15-amine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Yoshida, M, Kinoshita, T. | | 登録日 | 2021-11-30 | | 公開日 | 2022-02-23 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Identification of a novel target site for ATP-independent ERK2 inhibitors.
Biochem.Biophys.Res.Commun., 593, 2022
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6FRP
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6FT8
 | | Crystal structure of CLK1 in complex with inhibitor 8g | | 分子名称: | 1,2-ETHANEDIOL, 3-(3-hydroxyphenyl)-1~{H}-pyrrolo[3,4-g]indol-8-one, CHLORIDE ION, ... | | 著者 | Chaikuad, A, Walter, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Kunick, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2018-02-20 | | 公開日 | 2018-05-16 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Molecular structures of cdc2-like kinases in complex with a new inhibitor chemotype.
PLoS ONE, 13, 2018
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6FYK
 | | X-Ray structure of CLK2-KD(136-496)/Indazole1 at 2.39A | | 分子名称: | (2~{S})-4-methyl-1-[5-(3-methyl-2~{H}-indazol-5-yl)pyridin-3-yl]oxy-pentan-2-amine, Dual specificity protein kinase CLK2 | | 著者 | Kallen, J. | | 登録日 | 2018-03-12 | | 公開日 | 2018-07-18 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | | 主引用文献 | X-ray Structures and Feasibility Assessment of CLK2 Inhibitors for Phelan-McDermid Syndrome.
ChemMedChem, 13, 2018
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6FQ7
 | | Crystal structure of ERK2 in complex with an adenosine derivative | | 分子名称: | 4-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(azidomethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]sulfanylbutanoic acid, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... | | 著者 | Gelin, M, Labesse, G. | | 登録日 | 2018-02-13 | | 公開日 | 2019-03-13 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | None
To be published
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6FT9
 | | Crystal structure of CLK1 in complex with inhibitor 16 | | 分子名称: | 2-bromanyl-3-phenyl-1~{H}-pyrrolo[3,4-g]indol-8-one, BROMIDE ION, Dual specificity protein kinase CLK1, ... | | 著者 | Chaikuad, A, Walter, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Kunick, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2018-02-20 | | 公開日 | 2018-05-16 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Molecular structures of cdc2-like kinases in complex with a new inhibitor chemotype.
PLoS ONE, 13, 2018
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6FVG
 | | The Structure of CK2alpha with CCh507 bound | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Casein kinase II subunit alpha, [1-[2-(phenylsulfonylamino)ethyl]piperidin-4-yl]methyl 1~{H}-indole-3-carboxylate | | 著者 | Brear, P, Prudent, R, Laudet, B, Filhol, O, Cochet, C, Sautel, C, Moucadel, V, Bestgen, B, Engel, M, Ettaoussi, M, Lomberget, T, Le Borgne, M, Kufareva, I, Abagyan, R, Hyvonen, M. | | 登録日 | 2018-03-02 | | 公開日 | 2019-06-19 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Discovery of holoenzyme-disrupting chemicals as substrate-selective CK2 inhibitors.
Sci Rep, 9, 2019
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6FT7
 | | Crystal structure of CLK3 in complex with compound 8a | | 分子名称: | 1,2-ETHANEDIOL, 3-phenyl-1~{H}-pyrrolo[3,4-g]indol-8-one, Dual specificity protein kinase CLK3, ... | | 著者 | Chaikuad, A, Walter, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Kunick, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2018-02-20 | | 公開日 | 2018-05-16 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Molecular structures of cdc2-like kinases in complex with a new inhibitor chemotype.
PLoS ONE, 13, 2018
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6FYL
 | | X-ray structure of CLK2-KD(136-496)/CX-4945 at 1.95A | | 分子名称: | 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, Dual specificity protein kinase CLK2 | | 著者 | Kallen, J. | | 登録日 | 2018-03-12 | | 公開日 | 2018-07-18 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | X-ray Structures and Feasibility Assessment of CLK2 Inhibitors for Phelan-McDermid Syndrome.
ChemMedChem, 13, 2018
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8P5L
 | | Kinase domain of mutant human ULK1 in complex with compound MRT67307 | | 分子名称: | MAGNESIUM ION, N-{3-[(5-cyclopropyl-2-{[3-(morpholin-4-ylmethyl)phenyl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide, Serine/threonine-protein kinase ULK1 | | 著者 | Battista, T, Semrau, M.S, Heroux, A, Lolli, G, Storici, P. | | 登録日 | 2023-05-24 | | 公開日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (1.836 Å) | | 主引用文献 | Crystal structures of ULK1 in complex with KCGS compounds
To Be Published
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8P5G
 | | Kinase domain of wild type human ULK1 in complex with compound CCT241533 | | 分子名称: | 4-FLUORO-2-(4-{[(3S,4R)-4-(1-HYDROXY-1-METHYLETHYL)PYRROLIDIN-3-YL]AMINO}-6,7-DIMETHOXYQUINAZOLIN-2-YL)PHENOL, MAGNESIUM ION, SODIUM ION, ... | | 著者 | Battista, T, Semrau, M.S, Heroux, A, Lolli, G, Storici, P. | | 登録日 | 2023-05-24 | | 公開日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (2.019 Å) | | 主引用文献 | Crystal structures of ULK1 in complex with KCGS compounds
To Be Published
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8P5H
 | | Kinase domain of mutant human ULK1 in complex with compound CCT241533 | | 分子名称: | 4-FLUORO-2-(4-{[(3S,4R)-4-(1-HYDROXY-1-METHYLETHYL)PYRROLIDIN-3-YL]AMINO}-6,7-DIMETHOXYQUINAZOLIN-2-YL)PHENOL, MAGNESIUM ION, SODIUM ION, ... | | 著者 | Battista, T, Semrau, M.S, Heroux, A, Lolli, G, Storici, P. | | 登録日 | 2023-05-24 | | 公開日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (1.941 Å) | | 主引用文献 | Crystal structures of ULK1 in complex with KCGS compounds
To Be Published
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6FMA
 | | Crystal structure of ERK2 in complex with an adenosine derivative | | 分子名称: | 3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(azidomethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]sulfanylpropanoic acid, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... | | 著者 | Gelin, M, Labesse, G. | | 登録日 | 2018-01-30 | | 公開日 | 2019-03-13 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.667 Å) | | 主引用文献 | None
To be published
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8P5J
 | | Kinase domain of mutant human ULK1 in complex with compound WZ4003 | | 分子名称: | MAGNESIUM ION, SODIUM ION, Serine/threonine-protein kinase ULK1, ... | | 著者 | Battista, T, Semrau, M.S, Heroux, A, Lolli, G, Storici, P. | | 登録日 | 2023-05-24 | | 公開日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (2.164 Å) | | 主引用文献 | Crystal structures of ULK1 in complex with KCGS compounds
To Be Published
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8P5I
 | | Kinase domain of mutant human ULK1 in complex with compound XMD-17-51 | | 分子名称: | 5,11-dimethyl-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one, GLYCEROL, MAGNESIUM ION, ... | | 著者 | Battista, T, Semrau, M.S, Heroux, A, Lolli, G, Storici, P. | | 登録日 | 2023-05-24 | | 公開日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (1.829 Å) | | 主引用文献 | Crystal structures of ULK1 in complex with KCGS compounds
To Be Published
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8P5K
 | | Kinase domain of mutant human ULK1 in complex with compound MRT68921 | | 分子名称: | GLYCEROL, MAGNESIUM ION, PHOSPHATE ION, ... | | 著者 | Battista, T, Semrau, M.S, Heroux, A, Lolli, G, Storici, P. | | 登録日 | 2023-05-24 | | 公開日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (2.209 Å) | | 主引用文献 | Crystal structures of ULK1 in complex with KCGS compounds
To Be Published
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8PAR
 | | Crystal structure of human MAP4K1 with an inhibitor, BAY-405 | | 分子名称: | GLYCEROL, Mitogen-activated protein kinase kinase kinase kinase 1, ~{N}-[3,5-bis(fluoranyl)-4-[[3-[1-(trifluoromethyl)cyclopropyl]-1~{H}-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]-2,9-dioxa-4-azaspiro[5.5]undec-3-en-3-amine | | 著者 | Schaefer, M. | | 登録日 | 2023-06-08 | | 公開日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Identification and optimization of Azaindole based MAP4K1 Inhibitors and the discovery of BAY-405
To Be Published
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8PAW
 | | Crystal structure of MST1 with a MAP4K1 SMOL inhibitor | | 分子名称: | 1-[3,5-bis(fluoranyl)-4-[[3-(1-propan-2-ylpyrazol-3-yl)-1~{H}-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]-3-(2-methoxyethyl)urea, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, ASPARTIC ACID, ... | | 著者 | Friberg, A. | | 登録日 | 2023-06-08 | | 公開日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | | 主引用文献 | Identification and optimization of Azaindole based MAP4K1 Inhibitors and the discovery of BAY-405
To Be Published
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6G97
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6G9H
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6G93
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6G9J
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8PAS
 | | Crystal structure of MAP4K1 with a SMOL inhibitor | | 分子名称: | 4-[2,6-bis(fluoranyl)-4-(3-morpholin-4-ylpropylcarbamoylamino)phenoxy]-~{N}-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1~{H}-pyrrolo[2,3-b]pyridine-3-carboxamide, Mitogen-activated protein kinase kinase kinase kinase 1 | | 著者 | Friberg, A. | | 登録日 | 2023-06-08 | | 公開日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Identification and optimization of Azaindole based MAP4K1 Inhibitors and the discovery of BAY-405
To Be Published
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