4USM
 
 | | WcbL complex with glycerol bound to sugar site | | 分子名称: | CHLORIDE ION, GLYCEROL, PUTATIVE SUGAR KINASE | | 著者 | Vivoli, M, Isupov, M.N, Nicholas, R, Hill, A, Scott, A, Kosma, P, Prior, J, Harmer, N.J. | | 登録日 | 2014-07-10 | | 公開日 | 2016-01-13 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Unraveling the B.Pseudomallei Heptokinase Wcbl: From Structure to Drug Discovery.
Chem.Biol., 22, 2015
|
|
4UXJ
 | | Leishmania major Thymidine Kinase in complex with dTTP | | 分子名称: | MAGNESIUM ION, THYMIDINE KINASE, THYMIDINE-5'-TRIPHOSPHATE, ... | | 著者 | Timm, J, Bosch-Navarrete, C, Recio, E, Nettleship, J.E, Rada, H, Gonzalez-Pacanowska, D, Wilson, K.S. | | 登録日 | 2014-08-22 | | 公開日 | 2015-05-27 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structural and Kinetic Characterization of Thymidine Kinase from Leishmania Major.
Plos Negl Trop Dis, 9, 2015
|
|
4UZZ
 | | Crystal structure of the TtIFT52-46 complex | | 分子名称: | INTRAFLAGELLAR TRANSPORT COMPLEX B PROTEIN 46 CARBOXY-TERMINAL PROTEIN, INTRAFLAGELLAR TRANSPORTER-LIKE PROTEIN | | 著者 | Braeuer, P, Taschner, M, Lorentzen, E. | | 登録日 | 2014-09-09 | | 公開日 | 2014-11-05 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.318 Å) | | 主引用文献 | Crystal Structures of Ift70/52 and Ift52/46 Provide Insight Into Intraflagellar Transport B Core Complex Assembly.
J.Cell Biol., 207, 2014
|
|
4UXI
 | | Leishmania major Thymidine Kinase in complex with thymidine | | 分子名称: | PHOSPHATE ION, THYMIDINE, THYMIDINE KINASE, ... | | 著者 | Timm, J, Bosch-Navarrete, C, Recio, E, Nettleship, J.E, Rada, H, Gonzalez-Pacanowska, D, Wilson, K.S. | | 登録日 | 2014-08-22 | | 公開日 | 2015-05-27 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | | 主引用文献 | Structural and Kinetic Characterization of Thymidine Kinase from Leishmania Major.
Plos Negl Trop Dis, 9, 2015
|
|
4USF
 | | Human SLK with SB-440719 | | 分子名称: | 4-[4-(6-methoxynaphthalen-2-yl)-1H-imidazol-5-yl]pyridine, STE20-LIKE SERINE/THREONINE-PROTEIN KINASE | | 著者 | Elkins, J.M, Salah, E, Szklarz, M, von Delft, F, Bountra, C, Edwards, A.M, Knapp, S. | | 登録日 | 2014-07-07 | | 公開日 | 2015-07-22 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Comprehensive Characterization of the Published Kinase Inhibitor Set.
Nat.Biotechnol., 34, 2016
|
|
4V3Z
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with 2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)-N-(2-(3- fluorophenyl)cyclopropylmethyl)ethan-1-amine | | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-{[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]methyl}-2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethanamine, ... | | 著者 | Li, H, Poulos, T.L. | | 登録日 | 2014-10-20 | | 公開日 | 2014-12-24 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.052 Å) | | 主引用文献 | Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
|
|
4UUU
 | | 1.7 A resolution structure of human cystathionine beta-synthase regulatory domain (del 516-525) in complex with SAM | | 分子名称: | 1,2-ETHANEDIOL, CYSTATHIONINE BETA-SYNTHASE, S-ADENOSYLMETHIONINE | | 著者 | Kopec, J, McCorvie, T.J, Fitzpatrick, F, Strain-Damerell, C, Froese, D.S, Tallant, C, Burgess-Brown, N, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W. | | 登録日 | 2014-07-31 | | 公開日 | 2014-08-13 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | | 主引用文献 | Inter-Domain Communication of Human Cystathionine Beta Synthase: Structural Basis of S-Adenosyl-L-Methionine Activation.
J.Biol.Chem., 289, 2014
|
|
4UZY
 | |
4WG5
 | |
4WG3
 | |
4WIH
 | | Crystal structure of cAMP-dependent Protein Kinase A from Cricetulus griseus | | 分子名称: | cAMP Dependent Protein Kinase Inhibitor PKI-tide, cAMP-dependent protein kinase catalytic subunit alpha | | 著者 | Kudlinzki, D, Linhard, V.L, Saxena, K, Dreyer, M, Schwalbe, H. | | 登録日 | 2014-09-25 | | 公開日 | 2014-10-22 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.139 Å) | | 主引用文献 | High-resolution crystal structure of cAMP-dependent protein kinase from Cricetulus griseus.
Acta Crystallogr.,Sect.F, 71, 2015
|
|
4WL3
 | |
4WGF
 | | YcaC from Pseudomonas aeruginosa with hexane-2,5-diol and covalent acrylamide | | 分子名称: | (2R,5R)-hexane-2,5-diol, CHLORIDE ION, PROPIONAMIDE, ... | | 著者 | Groftehauge, M.K, Truan, D, Vasil, A, Denny, P.W, Vasil, M.L, Pohl, E. | | 登録日 | 2014-09-18 | | 公開日 | 2015-07-29 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.34020686 Å) | | 主引用文献 | Crystal Structure of a Hidden Protein, YcaC, a Putative Cysteine Hydrolase from Pseudomonas aeruginosa, with and without an Acrylamide Adduct.
Int J Mol Sci, 16, 2015
|
|
8AVC
 | | Mouse leptin:LEP-R complex cryoEM structure (3:3 model) | | 分子名称: | Leptin, Leptin receptor, NICKEL (II) ION | | 著者 | Verstraete, K, Savvides, S.N, Verschueren, K.G, Tsirigotaki, A. | | 登録日 | 2022-08-26 | | 公開日 | 2023-04-05 | | 最終更新日 | 2023-04-26 | | 実験手法 | ELECTRON MICROSCOPY (4.6 Å) | | 主引用文献 | Mechanism of receptor assembly via the pleiotropic adipokine Leptin.
Nat.Struct.Mol.Biol., 30, 2023
|
|
8B5Y
 | | SHP2 in complex with allosteric imidazopyrazine inhibitor | | 分子名称: | (1~{S})-1'-[5-[2-(trifluoromethyl)pyridin-3-yl]sulfanyl-3~{H}-imidazo[4,5-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine, FORMIC ACID, Tyrosine-protein phosphatase non-receptor type 11 | | 著者 | Torrente, E, Petrocchi, A. | | 登録日 | 2022-09-25 | | 公開日 | 2023-01-18 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Discovery of a Novel Series of Imidazopyrazine Derivatives as Potent SHP2 Allosteric Inhibitors.
Acs Med.Chem.Lett., 14, 2023
|
|
8BJT
 | | Structure of human PLK1 in complex with 2-Allyl-1-[6-(1-hydroxy-1-methyl-ethyl)-pyridin-2-yl]-6-[4-(4-methyl-piperazin-1-yl)-phenylamino]-1,2-dihydro-pyrazolo[3,4-d]pyrimidin-3-one | | 分子名称: | 1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one, ACETATE ION, Serine/threonine-protein kinase PLK1, ... | | 著者 | Musil, D, Liu-Bujalski, L. | | 登録日 | 2022-11-06 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.188 Å) | | 主引用文献 | Selective Wee1 Inhibitors Led to Antitumor Activity In Vitro and Correlated with Myelosuppression.
Acs Med.Chem.Lett., 14, 2023
|
|
8BJU
 | |
8TTZ
 | | Crystal structure of monkey TLR7 ectodomain with compound 20 | | 分子名称: | (3S)-3-({5-amino-1-[(2-methoxy-4-{[(oxan-4-yl)amino]methyl}phenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidin-7-yl}amino)hexan-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Critton, D.A. | | 登録日 | 2023-08-15 | | 公開日 | 2024-02-07 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (3.14 Å) | | 主引用文献 | Discovery of Novel TLR7 Agonists as Systemic Agent for Combination With aPD1 for Use in Immuno-oncology.
Acs Med.Chem.Lett., 15, 2024
|
|
8VXE
 | | Structure of p38 alpha (Mitogen-activated protein kinase 14) complexed with inhibitor 6 | | 分子名称: | (4M)-4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine, Mitogen-activated protein kinase 14 | | 著者 | Blaesse, M, Steinbacher, S, Shaffer, P.L, Sharma, S, Thompson, A.A. | | 登録日 | 2024-02-04 | | 公開日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structure-Based Optimization of Selective and Brain Penetrant CK1 delta Inhibitors for the Treatment of Circadian Disruptions.
Acs Med.Chem.Lett., 15, 2024
|
|
9F9A
 | | Crystal structure of MUS81-EME1 bound by compound 12. | | 分子名称: | 2-naphthalen-2-yl-5-oxidanyl-6-oxidanylidene-1H-pyrimidine-4-carboxylic acid, Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81, ... | | 著者 | Collie, G.W. | | 登録日 | 2024-05-07 | | 公開日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.911 Å) | | 主引用文献 | Fragment-Based Discovery of Novel MUS81 Inhibitors
Acs Med.Chem.Lett., 2024
|
|
9F99
 | | Crystal structure of MUS81-EME1 bound by compound 10. | | 分子名称: | 2-(4-chlorophenyl)-5-oxidanyl-6-oxidanylidene-1H-pyrimidine-4-carboxylic acid, Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81, ... | | 著者 | Collie, G.W. | | 登録日 | 2024-05-07 | | 公開日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.803 Å) | | 主引用文献 | Fragment-Based Discovery of Novel MUS81 Inhibitors
Acs Med.Chem.Lett., 2024
|
|
8VHL
 | | Structure of DHODH in Complex with Ligand 17 | | 分子名称: | ACETATE ION, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | | 著者 | Shaffer, P.L. | | 登録日 | 2024-01-02 | | 公開日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Discovery of Alternative Binding Poses through Fragment-Based Identification of DHODH Inhibitors.
Acs Med.Chem.Lett., 15, 2024
|
|
8VHM
 | | Structure of DHODH in Complex with Fragment 2 | | 分子名称: | ACETATE ION, CHLORIDE ION, Dihydroorotate dehydrogenase (quinone), ... | | 著者 | Shaffer, P.L. | | 登録日 | 2024-01-02 | | 公開日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | | 主引用文献 | Discovery of Alternative Binding Poses through Fragment-Based Identification of DHODH Inhibitors.
Acs Med.Chem.Lett., 15, 2024
|
|
8W3W
 | | Crystal structure of IRAK4 in complex with compound 4 | | 分子名称: | 7-methoxy-1-{[(2S)-5-oxopyrrolidin-2-yl]methoxy}isoquinoline-6-carboxamide, Interleukin-1 receptor-associated kinase 4 | | 著者 | Han, S, Knafels, J.D. | | 登録日 | 2024-02-22 | | 公開日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.976 Å) | | 主引用文献 | In Retrospect: Root-Cause Analysis of Structure-Activity Relationships in IRAK4 Inhibitor Zimlovisertib (PF-06650833).
Acs Med.Chem.Lett., 15, 2024
|
|
9F98
 | | Crystal structure of MUS81-EME1, apo form. | | 分子名称: | Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81 | | 著者 | Collie, G.W. | | 登録日 | 2024-05-07 | | 公開日 | 2024-07-03 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Fragment-Based Discovery of Novel MUS81 Inhibitors
Acs Med.Chem.Lett., 2024
|
|
