5AUX
 
 | | Crystal structure of DAPK1 in complex with kaempferol. | | 分子名称: | 3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-4H-CHROMEN-4-ONE, CHLORIDE ION, Death-associated protein kinase 1 | | 著者 | Yokoyama, T, Mizuguchi, M. | | 登録日 | 2015-06-10 | | 公開日 | 2015-10-07 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structural Insight into the Interactions between Death-Associated Protein Kinase 1 and Natural Flavonoids.
J.Med.Chem., 58, 2015
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8P6Q
 | | Racemic structure of TNFR1 cysteine-rich domain | | 分子名称: | D-TNFR-1 CRD2, SULFATE ION, Tumor necrosis factor-binding protein 1 | | 著者 | Lander, A.J, Jin, Y, Luk, L.Y.P. | | 登録日 | 2023-05-28 | | 公開日 | 2024-01-24 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Deciphering the Synthetic and Refolding Strategy of a Cysteine-Rich Domain in the Tumor Necrosis Factor Receptor (TNF-R) for Racemic Crystallography Analysis and d-Peptide Ligand Discovery.
Acs Bio Med Chem Au, 4, 2024
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7B1Q
 | | Crystal Structure of Human BACE-1 in Complex with Compound NB-360 (compound 54) | | 分子名称: | Beta-secretase 1, ~{N}-[3-[(3~{R},6~{R})-5-azanyl-3,6-dimethyl-6-(trifluoromethyl)-2~{H}-1,4-oxazin-3-yl]-4-fluoranyl-phenyl]-5-cyano-3-methyl-pyridine-2-carboxamide | | 著者 | Rondeau, J.M, Wirth, E. | | 登録日 | 2020-11-25 | | 公開日 | 2021-04-28 | | 最終更新日 | 2021-05-05 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Synthesis of the Potent, Selective, and Efficacious beta-Secretase (BACE1) Inhibitor NB-360.
J.Med.Chem., 64, 2021
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5AX9
 | | Crystal structure of the kinase domain of human TRAF2 and NCK-interacting protein kinase in complex with compund 9 | | 分子名称: | 4-methoxy-3-[2-[(3-methoxy-4-morpholin-4-yl-phenyl)amino]pyridin-4-yl]benzenecarbonitrile, SULFATE ION, TRAF2 and NCK-interacting protein kinase | | 著者 | Ohbayashi, N, Kukimoto-Niino, M, Yamada, T, Shirouzu, M. | | 登録日 | 2015-07-21 | | 公開日 | 2016-07-27 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | TNIK inhibition abrogates colorectal cancer stemness
Nat Commun, 7, 2016
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7B1E
 | | BACE1 IN COMPLEX WITH compound 3 (NB-641) | | 分子名称: | Beta-secretase 1, ~{N}-[3-[(4~{S})-2-azanyl-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]-5-bromanyl-pyridine-2-carboxamide | | 著者 | Rondeau, J.M, Wirth, E. | | 登録日 | 2020-11-24 | | 公開日 | 2021-04-28 | | 最終更新日 | 2021-05-05 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Synthesis of the Potent, Selective, and Efficacious beta-Secretase (BACE1) Inhibitor NB-360.
J.Med.Chem., 64, 2021
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7AVE
 | | Perdeuterated refolded hen egg-white lysozyme at 100 K | | 分子名称: | ACETATE ION, Lysozyme C, NITRATE ION | | 著者 | Ramos, J, Laux, V, Haertlein, M, Erba Boeri, E, Forsyth, V.T, Larsen, S, Mossou, E, Langkilde, A.E. | | 登録日 | 2020-11-05 | | 公開日 | 2021-05-12 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (0.98 Å) | | 主引用文献 | Structural insights into protein folding, stability and activity using in vivo perdeuteration of hen egg-white lysozyme.
Iucrj, 8, 2021
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5AP6
 | | Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance. | | 分子名称: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, DUAL SPECIFICITY PROTEIN KINASE TTK, ... | | 著者 | Gurden, M.D, Westwood, I.M, Faisal, A, Naud, S, Cheung, K.M, McAndrew, C, Wood, A, Schmitt, J, Boxall, K, Mak, G, Workman, P, Burke, R, Hoelder, S, Blagg, J, van Montfort, R, Linardopoulos, S. | | 登録日 | 2015-09-14 | | 公開日 | 2015-09-23 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Naturally Occurring Mutations in the Mps1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance.
Cancer Res., 75, 2015
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7AVF
 | | Triclinic hydrogenated hen egg-white lysozyme at 100 K (control) | | 分子名称: | ACETATE ION, Lysozyme, NITRATE ION | | 著者 | Ramos, J, Laux, V, Haertlein, M, Erba Boeri, E, Forsyth, V.T, Mossou, E, Larsen, S, Langkilde, A.E. | | 登録日 | 2020-11-05 | | 公開日 | 2021-05-12 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | Structural insights into protein folding, stability and activity using in vivo perdeuteration of hen egg-white lysozyme.
Iucrj, 8, 2021
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7ASW
 | | Crystal structure of chloroplastic thioredoxin z defines a novel type-specific target recognition | | 分子名称: | Thioredoxin-related protein CITRX | | 著者 | Le Moigne, T, Gurrieri, L, Crozet, P, Marchand, C.H, Zaffagnini, M, Sparla, F, Lemaire, S.D, Henri, J. | | 登録日 | 2020-10-28 | | 公開日 | 2021-05-19 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.444 Å) | | 主引用文献 | Crystal structure of chloroplastic thioredoxin z defines a type-specific target recognition.
Plant J., 107, 2021
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5AR0
 | | HSP72 with adenosine-derived inhibitor | | 分子名称: | (2R,3R,4S,5R)-2-(6-amino-8-((quinolin-7-ylmethyl)amino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Cheeseman, M.D, Westwood, I.M, Barbeau, O, Rowlands, M.G, Jones, A.M, Jeganathan, F, Burke, R, Dobson, S.E, Workman, P, Collins, I, van Montfort, R.L.M, Jones, K. | | 登録日 | 2015-09-22 | | 公開日 | 2016-05-11 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Exploiting Protein Conformational Change to Optimize Adenosine-Derived Inhibitors of Hsp70.
J.Med.Chem., 59, 2016
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7AVG
 | | Perdeuterated hen egg-white lysozyme at 100 K | | 分子名称: | ACETATE ION, Lysozyme, NITRATE ION | | 著者 | Ramos, J, Laux, V, Haertlein, M, Erba Boeri, E, Forsyth, V.T, Mossou, E, Larsen, S, Langkilde, A.E. | | 登録日 | 2020-11-05 | | 公開日 | 2021-05-12 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | Structural insights into protein folding, stability and activity using in vivo perdeuteration of hen egg-white lysozyme.
Iucrj, 8, 2021
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5B0X
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5B1E
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5B2M
 | | A crucial role of Cys218 in the stabilization of an unprecedented auto-inhibition form of MAP2K7 | | 分子名称: | Dual specificity mitogen-activated protein kinase kinase 7 | | 著者 | Sogabe, Y, Hashimoto, T, Matsumoto, T, Kirii, Y, Sawa, M, Kinoshita, T. | | 登録日 | 2016-01-19 | | 公開日 | 2016-04-06 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (3.06 Å) | | 主引用文献 | A crucial role of Cys218 in configuring an unprecedented auto-inhibition form of MAP2K7
Biochem.Biophys.Res.Commun., 473, 2016
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7AKE
 | | Structure of DYRK1A in complex with compound 58 | | 分子名称: | 4-[3-[(2~{S})-2-(6-bromanylpyridin-2-yl)oxypropyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | | 著者 | Dokurno, P, Surgenor, A.E, Kotschy, A. | | 登録日 | 2020-09-30 | | 公開日 | 2021-05-26 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
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5B2U
 | | Crystal Structure of P450BM3 with N-perfluorohexanoyl -L-tryptophan | | 分子名称: | (2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,6-undecakis(fluoranyl)hexanoylamino]propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, ... | | 著者 | Cong, Z, Shoji, O, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y. | | 登録日 | 2016-02-03 | | 公開日 | 2017-02-08 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal Structure of P450BM3 with decoy molecules
to be published
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7AJ4
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7AKH
 | | Structure of DYRK2 in complex with compound 58 | | 分子名称: | 4-[3-[(2~{S})-2-(6-bromanylpyridin-2-yl)oxypropyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 2 | | 著者 | Dokurno, P, Surgenor, A.E, Kotschy, A. | | 登録日 | 2020-10-01 | | 公開日 | 2021-05-26 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
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7AKB
 | | Structure of DYRK1A in complex with compound 56 | | 分子名称: | 4-[3-[2-(6-bromanylpyridin-2-yl)oxyethyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | | 著者 | Dokurno, P, Surgenor, A.E, Kotschy, A. | | 登録日 | 2020-09-30 | | 公開日 | 2021-05-26 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
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7AJY
 | | Structure of DYRK1A in complex with compound 51 | | 分子名称: | 4-[2-methyl-3-[(2~{R})-2-phenoxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | | 著者 | Dokurno, P, Surgenor, A.E, Kotschy, A. | | 登録日 | 2020-09-29 | | 公開日 | 2021-05-26 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
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7AKL
 | | Structure of DYRK1A in complex with compound 50 | | 分子名称: | 4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | | 著者 | Dokurno, P, Surgenor, A.E, Kotschy, A. | | 登録日 | 2020-10-01 | | 公開日 | 2021-05-26 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
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7AJ2
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7AJ8
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7AKF
 | | Structure of DYRK2 in complex with compound 50 | | 分子名称: | 4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 2 | | 著者 | Dokurno, P, Surgenor, A.E, Kotschy, A. | | 登録日 | 2020-09-30 | | 公開日 | 2021-05-26 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
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7AJ7
 | | Structure of DYRK1A in complex with compound 16 | | 分子名称: | 4-(3-methylbenzimidazol-5-yl)pyridine-2,6-diamine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | | 著者 | Dokurno, P, Surgenor, A.E, Kotschy, A. | | 登録日 | 2020-09-28 | | 公開日 | 2021-05-26 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
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