5SCC
 
 | | Structure of liver pyruvate kinase in complex with anthraquinone derivative 57 | | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, 4-amino-3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid, MAGNESIUM ION, ... | | 著者 | Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M. | | 登録日 | 2021-12-01 | | 公開日 | 2022-03-16 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.885 Å) | | 主引用文献 | Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
|
|
5SCD
 | | Structure of liver pyruvate kinase in complex with anthraquinone derivative 58 | | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, 3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid, MAGNESIUM ION, ... | | 著者 | Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M. | | 登録日 | 2021-12-01 | | 公開日 | 2022-03-16 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.041 Å) | | 主引用文献 | Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
|
|
5SCE
 | | Structure of liver pyruvate kinase in complex with anthraquinone derivative 55 | | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, 3-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid, MAGNESIUM ION, ... | | 著者 | Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M. | | 登録日 | 2021-12-01 | | 公開日 | 2022-03-16 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.147 Å) | | 主引用文献 | Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
|
|
5SCH
 | | Structure of liver pyruvate kinase in complex with anthraquinone derivative 100 | | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, OXALATE ION, ... | | 著者 | Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M. | | 登録日 | 2021-12-01 | | 公開日 | 2022-03-16 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.089 Å) | | 主引用文献 | Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
|
|
5SC8
 | | Structure of liver pyruvate kinase in complex with anthraquinone derivative 17 | | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, 5-[(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)amino]pentanoic acid, MAGNESIUM ION, ... | | 著者 | Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M. | | 登録日 | 2021-12-01 | | 公開日 | 2022-03-16 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
|
|
5SCA
 | | Structure of liver pyruvate kinase in complex with anthraquinone derivative 36 | | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, N-[(3R)-1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carbonyl]-L-aspartic acid, ... | | 著者 | Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M. | | 登録日 | 2021-12-01 | | 公開日 | 2022-03-16 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.918 Å) | | 主引用文献 | Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
|
|
8BR9
 | |
6H22
 | | Crystal structure of Mdm2 bound to a stapled peptide | | 分子名称: | 12-(dimethylamino)-3,10-diethyl-N,N,N-trimethyl-3,10-dihydrodibenzo[3,4:7,8]cycloocta[1,2-d:5,6-d']bis([1,2,3]triazole)-5-aminium, E3 ubiquitin-protein ligase Mdm2, Stapled peptide | | 著者 | Wang, X, Sharma, K, Spring, D.R, Hyvonen, M. | | 登録日 | 2018-07-12 | | 公開日 | 2019-07-31 | | 最終更新日 | 2019-09-11 | | 実験手法 | X-RAY DIFFRACTION (2.006 Å) | | 主引用文献 | Water-soluble, stable and azide-reactive strained dialkynes for biocompatible double strain-promoted click chemistry.
Org.Biomol.Chem., 17, 2019
|
|
7ZWG
 | | The Crystal structure of RO4493940 bound to CK2alpha | | 分子名称: | (5~{Z})-5-(quinolin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, ... | | 著者 | Brear, P, Hyvonen, M. | | 登録日 | 2022-05-19 | | 公開日 | 2023-05-31 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | | 主引用文献 | Chemical proteomics reveals the target landscape of 1,000 kinase inhibitors.
Nat.Chem.Biol., 20, 2024
|
|
7ZWE
 | | The Crystal structure of GW8695 bound to CK2alpha | | 分子名称: | 7-(1~{H}-indol-2-yl)-5-methyl-~{N}-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine, Casein kinase II subunit alpha | | 著者 | Brear, P, Hyvonen, M. | | 登録日 | 2022-05-19 | | 公開日 | 2023-05-31 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Chemical proteomics reveals the target landscape of 1,000 kinase inhibitors.
Nat.Chem.Biol., 20, 2024
|
|
6GIH
 | | Crystal Structure of CK2alpha with CAM187 bound | | 分子名称: | ACETATE ION, Casein kinase II subunit alpha, [3-chloranyl-5-(1~{H}-indol-4-yl)phenyl]methanamine | | 著者 | Brear, P, Iegre, J, North, A, De Fusco, C, Georgiou, K, Lubin, A, Carro, L, Sore, H, Hyvonen, M, Spring, D. | | 登録日 | 2018-05-11 | | 公開日 | 2018-05-23 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Novel non-ATP competitive small molecules targeting the CK2 alpha / beta interface.
Bioorg. Med. Chem., 26, 2018
|
|
3P2W
 | |
3P34
 | | Polo-like kinase I Polo-box domain in complex with MQSpTPL phosphopeptide | | 分子名称: | GLYCEROL, SULFATE ION, Serine/threonine-protein kinase PLK1, ... | | 著者 | Sledz, P, Hyvonen, M, Abell, C. | | 登録日 | 2010-10-04 | | 公開日 | 2011-04-27 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | From crystal packing to molecular recognition: prediction and discovery of a binding site on the surface of polo-like kinase 1
Angew.Chem.Int.Ed.Engl., 50, 2011
|
|
6YYG
 | | Crystal Structure of 5-(trifluoromethoxy)indoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase mutant R28C | | 分子名称: | 5-(trifluoromethyloxy)-1,3-dihydroindol-2-one, MAGNESIUM ION, Tyrosine-protein kinase BTK, ... | | 著者 | Brear, P, Wagstaff, J, Hyvonen, M. | | 登録日 | 2020-05-05 | | 公開日 | 2021-05-12 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Optimising crystallographic systems for structure-guided drug discovery
To Be Published
|
|
7FSA
 | | Structure of liver pyruvate kinase in complex with allosteric modulator 24 | | 分子名称: | (1M)-6-[4-(3-aminobenzene-1-sulfonyl)piperazine-1-sulfonyl][1,1'-biphenyl]-3,3',4,4'-tetrol, 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, ... | | 著者 | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | | 登録日 | 2022-12-18 | | 公開日 | 2023-04-12 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.909 Å) | | 主引用文献 | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators.
Eur.J.Med.Chem., 250, 2023
|
|
7FS1
 | | Structure of liver pyruvate kinase in complex with allosteric modulator 11 | | 分子名称: | (1P)-N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-3',4,4',5-tetrahydroxy[1,1'-biphenyl]-2-sulfonamide, 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, ... | | 著者 | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | | 登録日 | 2022-12-18 | | 公開日 | 2023-04-12 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.863 Å) | | 主引用文献 | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators.
Eur.J.Med.Chem., 250, 2023
|
|
7FS3
 | | Structure of liver pyruvate kinase in complex with allosteric modulator 15 | | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-4,4',5-trihydroxy[1,1'-biphenyl]-2-sulfonamide, ... | | 著者 | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | | 登録日 | 2022-12-18 | | 公開日 | 2023-04-12 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.655 Å) | | 主引用文献 | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators.
Eur.J.Med.Chem., 250, 2023
|
|
7FRY
 | | Structure of liver pyruvate kinase in complex with allosteric modulator 6 | | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, N-{2-[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]ethyl}-3,4-dihydroxybenzene-1-sulfonamide, ... | | 著者 | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | | 登録日 | 2022-12-18 | | 公開日 | 2023-04-12 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.958 Å) | | 主引用文献 | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators.
Eur.J.Med.Chem., 250, 2023
|
|
7FRV
 | | Structure of liver pyruvate kinase in complex with allosteric modulator 3 | | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, 4,4'-sulfonyldi(benzene-1,2-diol), MAGNESIUM ION, ... | | 著者 | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | | 登録日 | 2022-12-18 | | 公開日 | 2023-04-12 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.004 Å) | | 主引用文献 | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators.
Eur.J.Med.Chem., 250, 2023
|
|
7FS0
 | | Structure of liver pyruvate kinase in complex with allosteric modulator 8 | | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, 3,4-dihydroxy-N-{2-[4-(3-hydroxybenzene-1-sulfonyl)phenyl]ethyl}benzene-1-sulfonamide, MAGNESIUM ION, ... | | 著者 | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | | 登録日 | 2022-12-18 | | 公開日 | 2023-04-12 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.412 Å) | | 主引用文献 | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators.
Eur.J.Med.Chem., 250, 2023
|
|
7FS7
 | | Structure of liver pyruvate kinase in complex with allosteric modulator 20 | | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-N-(3,4-dihydroxyphenyl)-3,4-dihydroxybenzene-1-sulfonamide, ... | | 著者 | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | | 登録日 | 2022-12-18 | | 公開日 | 2023-04-12 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.774 Å) | | 主引用文献 | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators.
Eur.J.Med.Chem., 250, 2023
|
|
7FS5
 | | Structure of liver pyruvate kinase in complex with allosteric modulator 17 | | 分子名称: | (10aP)-6-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-2,3,8,9-tetrahydroxy-5lambda~6~-dibenzo[c,e][1,2]thiazine-5,5(6H)-dione, 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, ... | | 著者 | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | | 登録日 | 2022-12-18 | | 公開日 | 2023-04-12 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.182 Å) | | 主引用文献 | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators.
Eur.J.Med.Chem., 250, 2023
|
|
7FRZ
 | | Structure of liver pyruvate kinase in complex with allosteric modulator 7 | | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, 3,4-dihydroxy-N-{[4-(3-hydroxybenzene-1-sulfonyl)phenyl]methyl}benzene-1-sulfonamide, MAGNESIUM ION, ... | | 著者 | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | | 登録日 | 2022-12-18 | | 公開日 | 2023-04-12 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.085 Å) | | 主引用文献 | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators.
Eur.J.Med.Chem., 250, 2023
|
|
7FS6
 | | Structure of liver pyruvate kinase in complex with allosteric modulator 18 | | 分子名称: | (10aM)-6-{2-[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]ethyl}-2,3,8,9-tetrahydroxy-5lambda~6~-dibenzo[c,e][1,2]thiazine-5,5(6H)-dione, 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, ... | | 著者 | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | | 登録日 | 2022-12-18 | | 公開日 | 2023-04-12 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.241 Å) | | 主引用文献 | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators.
Eur.J.Med.Chem., 250, 2023
|
|
7FRX
 | | Structure of liver pyruvate kinase in complex with allosteric modulator 5 | | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-3,4-dihydroxybenzene-1-sulfonamide, ... | | 著者 | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | | 登録日 | 2022-12-18 | | 公開日 | 2023-04-12 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.847 Å) | | 主引用文献 | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators.
Eur.J.Med.Chem., 250, 2023
|
|
