3KXK
 
 | |
8SUR
 | | TMEM16F bound with Niclosamide | | 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, 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide, ... | | 著者 | Feng, S, Cheng, Y. | | 登録日 | 2023-05-13 | | 公開日 | 2023-09-06 | | 最終更新日 | 2023-11-01 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Identification of a drug binding pocket in TMEM16F calcium-activated ion channel and lipid scramblase.
Nat Commun, 14, 2023
|
|
8TAG
 | | TMEM16F, with Calcium and PIP2, no inhibitor | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Anoctamin-6, CALCIUM ION | | 著者 | Feng, S, Cheng, Y. | | 登録日 | 2023-06-27 | | 公開日 | 2023-09-06 | | 最終更新日 | 2024-10-09 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Identification of a drug binding pocket in TMEM16F calcium-activated ion channel and lipid scramblase.
Nat Commun, 14, 2023
|
|
4D2K
 | |
8TB1
 | |
8FG8
 | | Catalytic domain of GtfB in complex with inhibitor 2-[(2,4,5-Trihydroxyphenyl)methylidene]-1-benzofuran-3-one | | 分子名称: | (2Z)-2-[(2,4,5-trihydroxyphenyl)methylidene]-1-benzofuran-3(2H)-one, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | | 著者 | Schormann, N, Deivanayagam, C, Velu, S. | | 登録日 | 2022-12-12 | | 公開日 | 2023-06-14 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Hydrogel-Encapsulated Biofilm Inhibitors Abrogate the Cariogenic Activity of Streptococcus mutans .
J.Med.Chem., 66, 2023
|
|
8FLM
 | | Cryo-EM structure of STING oligomer bound to cGAMP, NVS-STG2 and C53 | | 分子名称: | 1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3-dihydro-1H-indole-6-carboxamide, 4-({[4-(2-tert-butyl-5,5-dimethyl-1,3-dioxan-2-yl)phenyl]methyl}amino)-3-methoxybenzoic acid, Stimulator of interferon genes protein, ... | | 著者 | Li, J, Canham, S.M, Zhang, X, Bai, X, Feng, Y. | | 登録日 | 2022-12-21 | | 公開日 | 2023-11-01 | | 最終更新日 | 2024-03-13 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Activation of human STING by a molecular glue-like compound.
Nat.Chem.Biol., 20, 2024
|
|
8FLK
 | | Cryo-EM structure of STING oligomer bound to cGAMP and NVS-STG2 | | 分子名称: | 4-({[4-(2-tert-butyl-5,5-dimethyl-1,3-dioxan-2-yl)phenyl]methyl}amino)-3-methoxybenzoic acid, Stimulator of interferon genes protein, cGAMP | | 著者 | Li, J, Canham, S.M, Zhang, X, Bai, X, Feng, Y. | | 登録日 | 2022-12-21 | | 公開日 | 2023-11-01 | | 最終更新日 | 2024-03-13 | | 実験手法 | ELECTRON MICROSCOPY (4 Å) | | 主引用文献 | Activation of human STING by a molecular glue-like compound.
Nat.Chem.Biol., 20, 2024
|
|
4EJN
 | | Crystal structure of autoinhibited form of AKT1 in complex with N-(4-(5-(3-acetamidophenyl)-2-(2-aminopyridin-3-yl)-3H-imidazo[4,5-b]pyridin-3-yl)benzyl)-3-fluorobenzamide | | 分子名称: | 1,2-ETHANEDIOL, 2-BUTANOL, N-(4-{5-[3-(acetylamino)phenyl]-2-(2-aminopyridin-3-yl)-3H-imidazo[4,5-b]pyridin-3-yl}benzyl)-3-fluorobenzamide, ... | | 著者 | Eathiraj, S. | | 登録日 | 2012-04-06 | | 公開日 | 2012-05-23 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | | 主引用文献 | Discovery and optimization of a series of 3-(3-phenyl-3H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amines: orally bioavailable, selective, and potent ATP-independent Akt inhibitors.
J.Med.Chem., 55, 2012
|
|
8UF5
 | | Catalytic domain of GtfB in complex with inhibitor G43 | | 分子名称: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | | 著者 | Schormann, N, Deivanayagam, C, Velu, S. | | 登録日 | 2023-10-03 | | 公開日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structure-Based Discovery of Small Molecule Inhibitors of Cariogenic Virulence.
Sci Rep, 7, 2017
|
|
5YGI
 | |
8URV
 | |
8VD6
 | |
4DPV
 | | PARVOVIRUS/DNA COMPLEX | | 分子名称: | DNA (5'-D(*AP*TP*AP*CP*CP*TP*CP*TP*TP*GP*C)-3'), MAGNESIUM ION, PROTEIN (PARVOVIRUS COAT PROTEIN) | | 著者 | Chapman, M.S, Rossmann, M.G. | | 登録日 | 1996-02-01 | | 公開日 | 1997-04-01 | | 最終更新日 | 2023-04-19 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Canine parvovirus capsid structure, analyzed at 2.9 A resolution.
J.Mol.Biol., 264, 1996
|
|
2FZ0
 | | Identification of yeast R-SNARE Nyv1p as a novel longin domain protein | | 分子名称: | v-SNARE component of the vacuolar SNARE complex involved in vesicle fusion; inhibits ATP-dependent Ca(2+) transport activity of Pmc1p in the vacuolar membrane; Nyv1p | | 著者 | Wen, W, Zhang, M. | | 登録日 | 2006-02-08 | | 公開日 | 2006-03-07 | | 最終更新日 | 2024-05-29 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Identification of the Yeast R-SNARE Nyv1p as a Novel Longin Domain-containing Protein
Mol.Cell.Biol., 17, 2006
|
|
2DDY
 | | Solution Structure of Matrilysin (MMP-7) Complexed to Constraint Conformational Sulfonamide Inhibitor | | 分子名称: | (1R)-N,6-DIHYDROXY-7-METHOXY-2-[(4-METHOXYPHENYL)SULFONYL]-1,2,3,4-TETRAHYDROISOQUINOLINE-1-CARBOXAMIDE, CALCIUM ION, Matrilysin, ... | | 著者 | Zheng, X.H, Ou, L. | | 登録日 | 2006-02-06 | | 公開日 | 2007-02-06 | | 最終更新日 | 2024-05-29 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution Structure of Matrilysin (MMP-7) Complexed to Constraint Conformational Sulfonamide Inhibitor
to be published
|
|
6AU2
 | | Crystal structure of SETDB1 Tudor domain with aryl triazole fragments | | 分子名称: | 1,2-ETHANEDIOL, 1-methyl-4H,6H-[1,2,4]triazolo[4,3-a][4,1]benzoxazepine, BETA-MERCAPTOETHANOL, ... | | 著者 | MADER, P, Mendoza-Sanchez, R, IQBAL, A, DONG, A, DOBROVETSKY, E, CORLESS, V.B, LIEW, S.K, TEMPEL, W, SMIL, D, DELA SENA, C.C, KENNEDY, S, DIAZ, D, HOLOWNIA, A, VEDADI, M, BROWN, P.J, SANTHAKUMAR, V, Bountra, C, Edwards, A.M, YUDIN, A.K, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | | 登録日 | 2017-08-30 | | 公開日 | 2017-10-11 | | 最終更新日 | 2019-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Identification and characterization of the first fragment hits for SETDB1 Tudor domain.
Bioorg.Med.Chem., 27, 2019
|
|
6BHG
 | | Crystal structure of SETDB1 with a modified H3 peptide | | 分子名称: | Histone H3.1, Histone-lysine N-methyltransferase SETDB1, UNKNOWN ATOM OR ION | | 著者 | Qin, S, Tempel, W, Dong, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | 登録日 | 2017-10-30 | | 公開日 | 2017-12-06 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | H3K14ac is linked to methylation of H3K9 by the triple Tudor domain of SETDB1.
Nat Commun, 8, 2017
|
|
6BHI
 | | Crystal structure of SETDB1 with a modified H3 peptide | | 分子名称: | Histone H3.1, Histone-lysine N-methyltransferase SETDB1, UNKNOWN ATOM OR ION | | 著者 | Qin, S, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | 登録日 | 2017-10-30 | | 公開日 | 2017-12-06 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | H3K14ac is linked to methylation of H3K9 by the triple Tudor domain of SETDB1.
Nat Commun, 8, 2017
|
|
6BHD
 | | Crystal structure of SETDB1 with a modified H3 peptide | | 分子名称: | Histone H3.1, Histone-lysine N-methyltransferase SETDB1, SODIUM ION, ... | | 著者 | Qin, S, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | 登録日 | 2017-10-30 | | 公開日 | 2017-12-06 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | H3K14ac is linked to methylation of H3K9 by the triple Tudor domain of SETDB1.
Nat Commun, 8, 2017
|
|
6BHH
 | | Crystal structure of SETDB1 with a modified H3 peptide | | 分子名称: | Histone H3.1, Histone-lysine N-methyltransferase SETDB1, SULFATE ION, ... | | 著者 | Qin, S, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | 登録日 | 2017-10-30 | | 公開日 | 2017-11-22 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | H3K14ac is linked to methylation of H3K9 by the triple Tudor domain of SETDB1.
Nat Commun, 8, 2017
|
|
6BHE
 | | Crystal structure of SETDB1 with a modified H3 peptide | | 分子名称: | Histone H3.1, Histone-lysine N-methyltransferase SETDB1, UNKNOWN ATOM OR ION | | 著者 | Qin, S, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | 登録日 | 2017-10-30 | | 公開日 | 2017-12-06 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | H3K14ac is linked to methylation of H3K9 by the triple Tudor domain of SETDB1.
Nat Commun, 8, 2017
|
|
6ATT
 | | 39S Fab bound to HER2 ecd | | 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, Antibody 39S Fab heavy chain, ... | | 著者 | Oganesyan, V.Y, Dall'Acqua, W.F. | | 登録日 | 2017-08-29 | | 公開日 | 2018-04-25 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (3.77 Å) | | 主引用文献 | Structural insights into the mechanism of action of a biparatopic anti-HER2 antibody.
J. Biol. Chem., 293, 2018
|
|
6CDA
 | | Crystal structure of L34A CzrA in the Zn(II)bound state | | 分子名称: | ArsR family transcriptional regulator, CHLORIDE ION, GLYCEROL, ... | | 著者 | Capdevila, D.A, Gonzalez-Gutierrez, G, Giedroc, D.P. | | 登録日 | 2018-02-08 | | 公開日 | 2018-07-11 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Functional Role of Solvent Entropy and Conformational Entropy of Metal Binding in a Dynamically Driven Allosteric System.
J. Am. Chem. Soc., 140, 2018
|
|
6CDB
 | | Crystal Structure of V66L CzrA in the Zn(II)bound state | | 分子名称: | ArsR family transcriptional regulator, CHLORIDE ION, SODIUM ION, ... | | 著者 | Capdevila, D.A, Campanello, G, Gonzalez-Gutierrez, G, Giedroc, D.P. | | 登録日 | 2018-02-08 | | 公開日 | 2018-07-11 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Functional Role of Solvent Entropy and Conformational Entropy of Metal Binding in a Dynamically Driven Allosteric System.
J. Am. Chem. Soc., 140, 2018
|
|
