1EVE
 
 | THREE DIMENSIONAL STRUCTURE OF THE ANTI-ALZHEIMER DRUG, E2020 (ARICEPT), COMPLEXED WITH ITS TARGET ACETYLCHOLINESTERASE | 分子名称: | 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-2-YL)METHYL]PIPERIDINE, 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 | Kryger, G, Silman, I, Sussman, J.L. | 登録日 | 1998-03-04 | 公開日 | 1999-01-20 | 最終更新日 | 2024-10-23 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structure of acetylcholinesterase complexed with E2020 (Aricept): implications for the design of new anti-Alzheimer drugs. Structure Fold.Des., 7, 1999
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6BNY
 
 | TBK1 in complex with tetrazole analog of amlexanox | 分子名称: | 2-amino-7-(propan-2-yl)-3-(1H-tetrazol-5-yl)-5H-[1]benzopyrano[2,3-b]pyridin-5-one, Serine/threonine-protein kinase TBK1 | 著者 | Beyett, T.S, Tesmer, J.J.G. | 登録日 | 2017-11-17 | 公開日 | 2018-09-26 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.341 Å) | 主引用文献 | Carboxylic Acid Derivatives of Amlexanox Display Enhanced Potency toward TBK1 and IKKepsilonand Reveal Mechanisms for Selective Inhibition. Mol. Pharmacol., 94, 2018
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6FT3
 
 | Crystal Structure of the first bromodomain of human BRD4 in complex with a 3,5-dimethylisoxazol ligand | 分子名称: | 1,2-ETHANEDIOL, 3-[(~{R})-cyclopropyl(oxidanyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenol, Bromodomain-containing protein 4 | 著者 | Filippakopoulos, P, Picaud, S, Pike, A.C.W, Krojer, T, Conway, S.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Structural Genomics Consortium (SGC) | 登録日 | 2018-02-20 | 公開日 | 2018-04-18 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | 主引用文献 | BET bromodomain ligands: Probing the WPF shelf to improve BRD4 bromodomain affinity and metabolic stability. Bioorg.Med.Chem., 26, 2018
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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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5ABH
 
 | Structure of GH84 with ligand | 分子名称: | 1,2-ETHANEDIOL, 2-[(2R,3S,4R,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-pentyl-pyrrolidin-2-yl]-N-methyl-ethanamide, CALCIUM ION, ... | 著者 | Bergeron-Brlek, M, Goodwin-Tindall, J, Cekic, N, Varghese, V, Zandberg, W.F, Shan, X, Roth, C, Chan, S, Davies, G.J, Vocadlo, D.J, Britton, R. | 登録日 | 2015-08-05 | 公開日 | 2015-11-18 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | A Convenient Approach to Stereoisomeric Iminocyclitols: Generation of Potent Brain-Permeable Oga Inhibitors. Angew.Chem.Int.Ed.Engl., 54, 2015
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5HZN
 
 | Structure of NVP-AEW541 in complex with IGF-1R kinase | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 7-[cis-3-(azetidin-1-ylmethyl)cyclobutyl]-5-[3-(benzyloxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Insulin-like growth factor 1 receptor, ... | 著者 | Cowan-Jacob, S.W. | 登録日 | 2016-02-02 | 公開日 | 2016-04-06 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Identification of a 5-[3-phenyl-(2-cyclic-ether)-methylether]-4-aminopyrrolo[2,3-d]pyrimidine series of IGF-1R inhibitors. Bioorg.Med.Chem.Lett., 26, 2016
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6BQY
 
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5CQS
 
 | Dimerization of Elp1 is essential for Elongator complex assembly | 分子名称: | Elongator complex protein 1 | 著者 | Lin, Z, Xu, H, Li, F, Diao, W, Long, J, Shen, Y. | 登録日 | 2015-07-22 | 公開日 | 2015-08-19 | 最終更新日 | 2024-11-13 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Dimerization of elongator protein 1 is essential for Elongator complex assembly. Proc.Natl.Acad.Sci.USA, 112, 2015
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6BSK
 
 | Human PIM1 kinase in complex with compound 12b | 分子名称: | 1,2-ETHANEDIOL, 4-{6-[6-(propan-2-ylamino)-1H-indazol-1-yl]pyrazin-2-yl}benzoic acid, SULFATE ION, ... | 著者 | Ferguson, A.D. | 登録日 | 2017-12-03 | 公開日 | 2018-03-21 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.573 Å) | 主引用文献 | Discovery of 2,6-disubstituted pyrazine derivatives as inhibitors of CK2 and PIM kinases. Bioorg. Med. Chem. Lett., 28, 2018
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8FR6
 
 | Antibody vFP53.02 in complex with HIV-1 envelope trimer BG505 DS-SOSIP | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ... | 著者 | Wang, S, Kwong, P.D. | 登録日 | 2023-01-06 | 公開日 | 2023-04-19 | 最終更新日 | 2024-11-13 | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | 主引用文献 | Diverse Murine Vaccinations Reveal Distinct Antibody Classes to Target Fusion Peptide and Variation in Peptide Length to Improve HIV Neutralization. J.Virol., 97, 2023
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6FY5
 
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8G9W
 
 | Cryo-EM structure of vFP49.02 Fab in complex with HIV-1 Env BG505 DS-SOSIP.664 (conformation 1) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ... | 著者 | Changela, A, Gorman, J, Kwong, P.D. | 登録日 | 2023-02-22 | 公開日 | 2023-04-19 | 最終更新日 | 2024-11-20 | 実験手法 | ELECTRON MICROSCOPY (4.66 Å) | 主引用文献 | Diverse Murine Vaccinations Reveal Distinct Antibody Classes to Target Fusion Peptide and Variation in Peptide Length to Improve HIV Neutralization. J.Virol., 97, 2023
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8G9Y
 
 | Cryo-EM structure of vFP49.02 Fab in complex with HIV-1 Env BG505 DS-SOSIP.664 (conformation 3) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ... | 著者 | Changela, A, Gorman, J, Kwong, P.D. | 登録日 | 2023-02-22 | 公開日 | 2023-04-19 | 最終更新日 | 2024-11-20 | 実験手法 | ELECTRON MICROSCOPY (4.28 Å) | 主引用文献 | Diverse Murine Vaccinations Reveal Distinct Antibody Classes to Target Fusion Peptide and Variation in Peptide Length to Improve HIV Neutralization. J.Virol., 97, 2023
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5OGZ
 
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5YJI
 
 | Co-crystal structure of Mouse Nicotinamide N-methyltransferase (NNMT) with small molecule analog of Nicotinamide | 分子名称: | 6-methoxy-1-methyl-2H-pyridine-3-carboxamide, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | 著者 | Birudukota, S, Swaminathan, S, Thakur, M.K, Parveen, R, Kandan, S, Hallur, M.S, Rajagopal, S, Ruf, S, Dhakshinamoorthy, S, Kannt, A, Gosu, R. | 登録日 | 2017-10-10 | 公開日 | 2018-03-21 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | A small molecule inhibitor of Nicotinamide N-methyltransferase for the treatment of metabolic disorders. Sci Rep, 8, 2018
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9BFZ
 
 | Tri-complex of Compound-5, KRAS G12C, and CypA | 分子名称: | (3R)-N-[(2S)-1-{[(1M,8R,10S,14S,21M)-22-ethyl-4-hydroxy-21-[2-(2-methoxyethyl)phenyl]-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]amino}-3-methyl-1-oxobutan-2-yl]-N-methyl-1-propanoylpyrrolidine-3-carboxamide (non-preferred name), GTPase KRas, MAGNESIUM ION, ... | 著者 | Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K. | 登録日 | 2024-04-18 | 公開日 | 2025-03-05 | 最終更新日 | 2025-04-09 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Discovery of Elironrasib (RMC-6291), a Potent and Orally Bioavailable, RAS(ON) G12C-Selective, Covalent Tricomplex Inhibitor for the Treatment of Patients with RAS G12C-Addicted Cancers. J.Med.Chem., 68, 2025
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5I2B
 
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5I5Q
 
 | Re refinement of 4mwn. | 分子名称: | DIMETHYL SULFOXIDE, Lysozyme C, NITRATE ION, ... | 著者 | Helliwell, J.R. | 登録日 | 2016-02-15 | 公開日 | 2016-05-18 | 最終更新日 | 2024-11-13 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Comment on "Structural dynamics of cisplatin binding to histidine in a protein" [Struct. Dyn. 1, 034701 (2014)]. Struct Dyn, 3, 2016
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5I5S
 
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4D6C
 
 | Crystal structure of a family 98 glycoside hydrolase catalytic module (Sp3GH98)(L19 mutant) | 分子名称: | 1,2-ETHANEDIOL, GLYCOSIDE HYDROLASE | 著者 | Kwan, D.H, Constantinescu, I, Chapanian, R, Higgins, M.A, Samain, E, Boraston, A.B, Kizhakkedathu, J.N, Withers, S.G. | 登録日 | 2014-11-11 | 公開日 | 2014-11-26 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Towards Efficient Enzymes for the Generation of Universal Blood Through Structure-Guided Directed Evolution. J.Am.Chem.Soc., 137, 2015
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7QQR
 
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7QR5
 
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5E68
 
 | High resolution crystal structure of LuxS - Quorum sensor molecular complex from Salmonella typhi at 1.58 Angstroms | 分子名称: | (2R,4S)-2-methyl-2,3,3,4-tetrahydroxytetrahydrofuran, METHIONINE, S-ribosylhomocysteine lyase, ... | 著者 | Perumal, P, Raina, R, Arockiasamy, A, SundaraBaalaji, N. | 登録日 | 2015-10-09 | 公開日 | 2016-10-12 | 最終更新日 | 2024-10-23 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | High resolution crystal structure of LuxS - Quorum sensor molecular complex from Salmonella typhi at 1.58 Angstroms To Be Published
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5EDR
 
 | EGFR kinase (T790M/L858R) with inhibitor compound 27: ~{N}-(1~{H}-indazol-3-yl)-7,7-dimethyl-2-(2-methylpyrazol-3-yl)-5~{H}-furo[3,4-d]pyrimidin-4-amine | 分子名称: | Epidermal growth factor receptor, ~{N}-(1~{H}-indazol-3-yl)-7,7-dimethyl-2-(2-methylpyrazol-3-yl)-5~{H}-furo[3,4-d]pyrimidin-4-amine | 著者 | Eigenbrot, C, Yu, C. | 登録日 | 2015-10-21 | 公開日 | 2015-12-02 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | 4-Aminoindazolyl-dihydrofuro[3,4-d]pyrimidines as non-covalent inhibitors of mutant epidermal growth factor receptor tyrosine kinase. Bioorg.Med.Chem.Lett., 26, 2016
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5T64
 
 | X-ray structure of the C3-methyltransferase KijD1 from Actinomadura kijaniata in complex with TDP and SAH | 分子名称: | 1,2-ETHANEDIOL, MAGNESIUM ION, S-ADENOSYL-L-HOMOCYSTEINE, ... | 著者 | Holden, H.M, Thoden, J.B, DOW, G.T. | 登録日 | 2016-09-01 | 公開日 | 2016-09-14 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structural studies on KijD1, a sugar C-3'-methyltransferase. Protein Sci., 25, 2016
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