6MAC
 
 | | Ternary structure of GDF11 bound to ActRIIB-ECD and Alk5-ECD | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Activin receptor type-2B, Growth/differentiation factor 11, ... | | 著者 | Goebel, E.J, Thompson, T.B. | | 登録日 | 2018-08-27 | | 公開日 | 2019-07-17 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | | 主引用文献 | Structural characterization of an activin class ternary receptor complex reveals a third paradigm for receptor specificity.
Proc.Natl.Acad.Sci.USA, 116, 2019
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7QGO
 | | Human CD73 (ecto 5'-nucleotidase) in complex with MRS4602 (a 3-methyl-CMPCP derivative, compound 21 in paper) in the closed state (crystal form III) | | 分子名称: | 5'-nucleotidase, ZINC ION, [[(2~{R},3~{S},4~{R},5~{R})-5-[(4~{E})-4-[(4-methoxycarbonylphenyl)methoxyimino]-3-methyl-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid | | 著者 | Strater, N. | | 登録日 | 2021-12-09 | | 公開日 | 2022-02-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.206 Å) | | 主引用文献 | Structure-Activity Relationship of 3-Methylcytidine-5'-alpha , beta-methylenediphosphates as CD73 Inhibitors.
J.Med.Chem., 65, 2022
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7QGA
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6POP
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7QGK
 | | The mRubyFT protein, Genetically Encoded Blue-to-Red Fluorescent Timer in its red state | | 分子名称: | MAGNESIUM ION, The red form of the mRubyFT protein, Genetically Encoded Blue-to-Red Fluorescent Timer | | 著者 | Boyko, K.M, Nikolaeva, A.Y, Gaivoronskii, F.A, Vlaskina, A.V, Subach, O.M, Popov, V.O, Subach, F.V. | | 登録日 | 2021-12-08 | | 公開日 | 2022-03-23 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | The mRubyFT Protein, Genetically Encoded Blue-to-Red Fluorescent Timer.
Int J Mol Sci, 23, 2022
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3IV8
 | | N-acetylglucosamine-6-phosphate deacetylase from Vibrio cholerae complexed with fructose 6-phosphate | | 分子名称: | 6-O-phosphono-beta-D-fructofuranose, N-acetylglucosamine-6-phosphate deacetylase, NICKEL (II) ION, ... | | 著者 | Osipiuk, J, Maltseva, N, Stam, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2009-08-31 | | 公開日 | 2009-09-08 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | | 主引用文献 | X-ray crystal structure of N-acetylglucosamine-6-phosphate deacetylase from Vibrio cholerae complexed with fructose 6-phosphate.
To be Published
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3IW8
 | | Structure of Inactive Human p38 MAP Kinase in Complex with a Thiazole-Urea | | 分子名称: | 1-{4-[(1S)-1-amino-2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}-3-(3-chloro-4-fluorophenyl)urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | 著者 | Gruetter, C, Simard, J.R, Rauh, D. | | 登録日 | 2009-09-02 | | 公開日 | 2009-11-17 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | High-Throughput Screening To Identify Inhibitors Which Stabilize Inactive Kinase Conformations in p38alpha
J.Am.Chem.Soc., 131, 2009
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5EZL
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6MEI
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6PBH
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4V18
 | | SeMet structure of a novel carbohydrate binding module from glycoside hydrolase family 5 glucanase from Ruminococcus flavefaciens FD-1 | | 分子名称: | CARBOHYDRATE BINDING MODULE | | 著者 | Venditto, I, Centeno, M.S.J, Ferreira, L.M.A, Fontes, C.M.G.A, Najmudin, S. | | 登録日 | 2014-09-25 | | 公開日 | 2016-01-20 | | 最終更新日 | 2016-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Complexity of the Ruminococcus Flavefaciens Cellulosome Reflects an Expansion in Glycan Recognition.
Proc.Natl.Acad.Sci.USA, 113, 2016
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7T4J
 | | Crystal Structure of EGFR_D770_N771insNPG/V948R in complex with TAK-788 | | 分子名称: | 1,2-ETHANEDIOL, CITRIC ACID, Epidermal growth factor receptor, ... | | 著者 | Skene, R.J, Lane, W, Hu, Y. | | 登録日 | 2021-12-10 | | 公開日 | 2022-12-07 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Discovery of mobocertinib, a potent, oral inhibitor of EGFR exon 20 insertion mutations in non-small cell lung cancer.
Bioorg.Med.Chem.Lett., 80, 2022
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6PK6
 | | Human PRPF4B bound to benzothiophene inhibitor 329 | | 分子名称: | 4-(5-{[(2-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide, SULFATE ION, Serine/threonine-protein kinase PRP4 homolog | | 著者 | Godoi, P.H.C, Santiago, A.S, Fala, A.M, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC) | | 登録日 | 2019-06-28 | | 公開日 | 2019-08-28 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | to be published
To Be Published
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7T4I
 | | Crystal Structure of wild type EGFR in complex with TAK-788 | | 分子名称: | Epidermal growth factor receptor, propan-2-yl 2-[[4-[2-(dimethylamino)ethyl-methyl-amino]-2-methoxy-5-(propanoylamino)phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate | | 著者 | Skene, R.J, Lane, W. | | 登録日 | 2021-12-10 | | 公開日 | 2022-12-07 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | | 主引用文献 | Discovery of mobocertinib, a potent, oral inhibitor of EGFR exon 20 insertion mutations in non-small cell lung cancer.
Bioorg.Med.Chem.Lett., 80, 2022
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6P05
 | | Bromodomain-containing protein 4 (BRD4) bromodomain 1 (BD1) complexed with compound 27 | | 分子名称: | Bromodomain-containing protein 4, GLYCEROL, N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(1-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indol-4-yl}ethanesulfonamide | | 著者 | Ratia, K.M, Xiong, R, Li, Y, Zhao, J, Gutgesell, L.M, Shen, Z, Dye, K, Dubrovyskyii, O, Zhao, H, Huang, F, Tonetti, D.A, Thatcher, G.R. | | 登録日 | 2019-05-16 | | 公開日 | 2020-05-20 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Novel Pyrrolopyridone Bromodomain and Extra-Terminal Motif (BET) Inhibitors Effective in Endocrine-Resistant ER+ Breast Cancer with Acquired Resistance to Fulvestrant and Palbociclib.
J.Med.Chem., 63, 2020
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6F1C
 | | C1rC1s complex | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Complement C1r subcomponent, ... | | 著者 | Almitairi, J.O.M, Venkatraman Girija, U, Furze, C.M, Simpson-Gray, X, Badakshi, F, Marshall, J.E, Mitchell, D.A, Moody, P.C.E, Wallis, R. | | 登録日 | 2017-11-21 | | 公開日 | 2018-01-17 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (4.2 Å) | | 主引用文献 | Structure of the C1r-C1s interaction of the C1 complex of complement activation.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6LKH
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6P1A
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6PL9
 | | Adduct formed after 1 month in the reaction of dichlorido(1,3-dimethylbenzimidaz ol-2-ylidene)(eta5-pentamethylcyclopentadienyl)rhodium(III) with HEWL | | 分子名称: | 2-(1-chloranyl-2,3,4,5,6-pentamethyl-1$l^{7}-rhodapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexan-1-yl)-1,3-dimethyl-benzimidazole, Lysozyme, SODIUM ION, ... | | 著者 | Sullivan, M.P, Hartinger, C.G, Goldstone, D.C. | | 登録日 | 2019-06-30 | | 公開日 | 2020-11-25 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Probing the Paradigm of Promiscuity for N-Heterocyclic Carbene Complexes and their Protein Adduct Formation.
Angew.Chem.Int.Ed.Engl., 2021
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5IHJ
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6PQ9
 | | Crystal Structure of TLA-1 S70G extended spectrum Beta-lactamase | | 分子名称: | ACETATE ION, ASPARTIC ACID, Beta-lactamase, ... | | 著者 | Rudino-Pinera, E, Cifuentes-Castro, V.H, Rodriguez-Alamazan, C. | | 登録日 | 2019-07-08 | | 公開日 | 2019-12-11 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.191 Å) | | 主引用文献 | The crystal structure of ESBL TLA-1 in complex with clavulanic acid reveals a second acylation site.
Biochem.Biophys.Res.Commun., 522, 2020
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7Q7S
 | | Crystal structure of human BCL6 BTB domain in complex with compound 4 | | 分子名称: | 1,2-ETHANEDIOL, 2-chloranyl-4-[[4-(ethylamino)-1,3-dimethyl-2-oxidanylidene-quinolin-6-yl]amino]pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, ... | | 著者 | Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M. | | 登録日 | 2021-11-09 | | 公開日 | 2022-06-15 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | | 主引用文献 | Optimizing Shape Complementarity Enables the Discovery of Potent Tricyclic BCL6 Inhibitors.
J.Med.Chem., 65, 2022
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7Q7V
 | | Crystal structure of human BCL6 BTB domain in complex with compound 12a | | 分子名称: | 1,2-ETHANEDIOL, 2-chloranyl-4-[[(2R)-2-cyclopropyl-7-methyl-6-oxidanylidene-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile, B-cell lymphoma 6 protein, ... | | 著者 | Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M. | | 登録日 | 2021-11-09 | | 公開日 | 2022-06-15 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Optimizing Shape Complementarity Enables the Discovery of Potent Tricyclic BCL6 Inhibitors.
J.Med.Chem., 65, 2022
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6P0T
 | | Crystal structure of ternary DNA complex "FX(1-2)-1Xis" containing E. coli Fis and phage lambda Xis | | 分子名称: | DNA (27-MER), FX1-2, DNA-binding protein Fis, ... | | 著者 | Hancock, S.P, Cascio, D, Johnson, R.C. | | 登録日 | 2019-05-17 | | 公開日 | 2019-06-19 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.603 Å) | | 主引用文献 | Cooperative DNA binding by proteins through DNA shape complementarity.
Nucleic Acids Res., 47, 2019
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7QK0
 | | Crystal structure of human BCL6 BTB domain in complex with compound 12a | | 分子名称: | (2~{S})-10-[[5-chloranyl-2-[(3~{S},5~{R})-3-methyl-5-oxidanyl-piperidin-1-yl]pyrimidin-4-yl]amino]-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-2,4-dihydro-1~{H}-[1,4]oxazepino[2,3-c]quinolin-6-one, 1,2-ETHANEDIOL, B-cell lymphoma 6 protein, ... | | 著者 | Gunnell, E.A, Le Bihan, Y.-V, van Montfort, R.L.M. | | 登録日 | 2021-12-17 | | 公開日 | 2022-06-15 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Improved Binding Affinity and Pharmacokinetics Enable Sustained Degradation of BCL6 In Vivo .
J.Med.Chem., 65, 2022
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