6ONY
 
 | | BRD2_Bromodomain1 complex with inhibitor 744 | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 2, N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide | | 著者 | Longenecker, K.L, Bigelow, L. | | 登録日 | 2019-04-22 | | 公開日 | 2020-01-29 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Selective inhibition of the BD2 bromodomain of BET proteins in prostate cancer.
Nature, 578, 2020
|
|
5TFR
 | | Crystal structure of Zika Virus NS5 protein | | 分子名称: | Genome polyprotein, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION | | 著者 | Longenecker, K.L, Upadhyay, A.K. | | 登録日 | 2016-09-26 | | 公開日 | 2016-10-12 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | | 主引用文献 | Crystal structure of full-length Zika virus NS5 protein reveals a conformation similar to Japanese encephalitis virus NS5.
Acta Crystallogr F Struct Biol Commun, 73, 2017
|
|
6PES
 | | Cryo-EM structure of alpha-synuclein H50Q Wide Fibril | | 分子名称: | Alpha-synuclein | | 著者 | Boyer, D.R, Li, B, Sawaya, M.R, Jiang, L, Eisenberg, D.S. | | 登録日 | 2019-06-20 | | 公開日 | 2019-11-27 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Structures of fibrils formed by alpha-synuclein hereditary disease mutant H50Q reveal new polymorphs.
Nat.Struct.Mol.Biol., 26, 2019
|
|
5TEG
 | |
5U69
 | | Polycomb protein EED in complex with inhibitor: (3R,4S)-1-[(2-methoxyphenyl)methyl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine | | 分子名称: | (3R,4S)-1-[(2-methoxyphenyl)methyl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine, Polycomb protein EED | | 著者 | Jakob, C.G, Zhu, H. | | 登録日 | 2016-12-07 | | 公開日 | 2017-03-15 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | | 主引用文献 | SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding.
Bioorg. Med. Chem. Lett., 27, 2017
|
|
5U8A
 | | Polycomb protein EED in complex with inhibitor: (3R,4S)-1-[(2-bromo-6-fluorophenyl)methyl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine | | 分子名称: | (3R,4S)-1-[(2-bromo-6-fluorophenyl)methyl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine, Polycomb protein EED | | 著者 | Jakob, C.G, Zhu, H. | | 登録日 | 2016-12-14 | | 公開日 | 2017-03-15 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding.
Bioorg. Med. Chem. Lett., 27, 2017
|
|
5U8F
 | | Polycomb protein EED in complex with inhibitor: (3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine | | 分子名称: | (3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine, Polycomb protein EED | | 著者 | Jakob, C.G, Zhu, H. | | 登録日 | 2016-12-14 | | 公開日 | 2017-03-15 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.343 Å) | | 主引用文献 | SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding.
Bioorg. Med. Chem. Lett., 27, 2017
|
|
5U6D
 | |
5VAR
 | |
8USR
 | | IL17A homodimer complexed to Compound 23 | | 分子名称: | Interleukin-17A, ~{N}-[(2~{S})-1-[[(1~{S})-1-(8~{a}~{H}-imidazo[1,2-a]pyrimidin-2-yl)ethyl]amino]-1-oxidanylidene-4-phenyl-butan-2-yl]-4,5-bis(chloranyl)-1~{H}-pyrrole-2-carboxamide | | 著者 | Argiriadi, M.A, Ramos, A.L. | | 登録日 | 2023-10-29 | | 公開日 | 2024-04-03 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Discovery of Small Molecule Interleukin 17A Inhibitors with Novel Binding Mode and Stoichiometry: Optimization of DNA-Encoded Chemical Library Hits to In Vivo Active Compounds.
J.Med.Chem., 67, 2024
|
|
8USS
 | | IL17A complexed to Compound 7 | | 分子名称: | 4,5-dichloro-N-[(1S)-1-cyclohexyl-2-{[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]amino}-2-oxoethyl]-1H-pyrrole-2-carboxamide, CHLORIDE ION, Interleukin-17A | | 著者 | Argiriadi, M.A, Ramos, A.L. | | 登録日 | 2023-10-29 | | 公開日 | 2024-04-03 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Discovery of Small Molecule Interleukin 17A Inhibitors with Novel Binding Mode and Stoichiometry: Optimization of DNA-Encoded Chemical Library Hits to In Vivo Active Compounds.
J.Med.Chem., 67, 2024
|
|
2MK5
 | | Solution structure of a protein domain | | 分子名称: | Endolysin | | 著者 | Feng, Y, Gu, J. | | 登録日 | 2014-01-24 | | 公開日 | 2014-05-28 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structural and biochemical characterization reveals LysGH15 as an unprecedented "EF-hand-like" calcium-binding phage lysin.
Plos Pathog., 10, 2014
|
|
2FHY
 | |
2GMX
 | |
8KHR
 | | Cryo-EM structure of EBV gH/gL-gp42 in complex with fab 2C1 | | 分子名称: | 2C1 heavy chain, 2C1 light chain, Envelope glycoprotein H, ... | | 著者 | Fang, X.Y, Zhao, G.X, Zeng, M.S, Liu, Z. | | 登録日 | 2023-08-22 | | 公開日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (3.25 Å) | | 主引用文献 | Potent human monoclonal antibodies targeting Epstein-Barr virus gp42 reveal vulnerable sites for virus infection.
Cell Rep Med, 5, 2024
|
|
4OLS
 | | The amidase-2 domain of LysGH15 | | 分子名称: | Endolysin, FE (III) ION, MAGNESIUM ION, ... | | 著者 | Gu, J, Ouyang, S, Liu, Z.J, Han, W. | | 登録日 | 2014-01-24 | | 公開日 | 2014-06-04 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | Structural and biochemical characterization reveals LysGH15 as an unprecedented "EF-hand-like" calcium-binding phage lysin.
Plos Pathog., 10, 2014
|
|
4OLK
 | | The CHAP domain of LysGH15 | | 分子名称: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Endolysin | | 著者 | Gu, J, Ouyang, S, Liu, Z.J, Han, W. | | 登録日 | 2014-01-24 | | 公開日 | 2014-05-28 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.694 Å) | | 主引用文献 | Structural and biochemical characterization reveals LysGH15 as an unprecedented "EF-hand-like" calcium-binding phage lysin.
Plos Pathog., 10, 2014
|
|
5AAE
 | | Aurora A kinase bound to an imidazopyridine inhibitor (14d) | | 分子名称: | 3-((4-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)-1H-pyrazol-1-yl)methyl)-5-methylisoxazole, AURORA KINASE A | | 著者 | McIntyre, P.J, Bayliss, R. | | 登録日 | 2015-07-24 | | 公開日 | 2015-09-02 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (3.11 Å) | | 主引用文献 | 7-(Pyrazol-4-Yl)-3H-Imidazo[4,5-B]Pyridine-Based Derivatives for Kinase Inhibition: Co-Crystallisation Studies with Aurora-A Reveal Distinct Differences in the Orientation of the Pyrazole N1-Substituent.
Bioorg.Med.Chem.Lett., 25, 2015
|
|
5AAF
 | | Aurora A kinase bound to an imidazopyridine inhibitor (14a) | | 分子名称: | 3-((4-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)-1H-pyrazol-1-yl)methyl)-N,N-dimethylbenzamide, AURORA KINASE A | | 著者 | McIntyre, P.J, Bayliss, R. | | 登録日 | 2015-07-24 | | 公開日 | 2015-09-02 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.78 Å) | | 主引用文献 | 7-(Pyrazol-4-Yl)-3H-Imidazo[4,5-B]Pyridine-Based Derivatives for Kinase Inhibition: Co-Crystallisation Studies with Aurora-A Reveal Distinct Differences in the Orientation of the Pyrazole N1-Substituent.
Bioorg.Med.Chem.Lett., 25, 2015
|
|
5AYW
 | | Structure of a membrane complex | | 分子名称: | Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ... | | 著者 | Huang, Y, Han, L, Zheng, J. | | 登録日 | 2015-09-14 | | 公開日 | 2016-02-24 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (3.555 Å) | | 主引用文献 | Structure of the BAM complex and its implications for biogenesis of outer-membrane proteins
Nat.Struct.Mol.Biol., 23, 2016
|
|
5AAG
 | | Aurora A kinase bound to an imidazopyridine inhibitor (14b) | | 分子名称: | AURORA KINASE A, [3-[[4-[6-chloranyl-2-(1,3-dimethylpyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl]pyrazol-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone | | 著者 | McIntyre, P.J, Bayliss, R. | | 登録日 | 2015-07-24 | | 公開日 | 2015-09-02 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | 7-(Pyrazol-4-Yl)-3H-Imidazo[4,5-B]Pyridine-Based Derivatives for Kinase Inhibition: Co-Crystallisation Studies with Aurora-A Reveal Distinct Differences in the Orientation of the Pyrazole N1-Substituent.
Bioorg.Med.Chem.Lett., 25, 2015
|
|
5AAD
 | | Aurora A kinase bound to an imidazopyridine inhibitor (7a) | | 分子名称: | 7-(1-benzyl-1H-pyrazol-4-yl)-6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridine, AURORA KINASE A, SULFATE ION | | 著者 | McIntyre, P.J, Kosmopoulou, M, Bayliss, R. | | 登録日 | 2015-07-24 | | 公開日 | 2015-09-02 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | 7-(Pyrazol-4-Yl)-3H-Imidazo[4,5-B]Pyridine-Based Derivatives for Kinase Inhibition: Co-Crystallisation Studies with Aurora-A Reveal Distinct Differences in the Orientation of the Pyrazole N1-Substituent.
Bioorg.Med.Chem.Lett., 25, 2015
|
|
5WTL
 | | Crystal structure of the periplasmic portion of outer membrane protein A (OmpA) from Capnocytophaga gingivalis | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, OmpA family protein, ... | | 著者 | Dai, S, Tan, K, Ye, S, Zhang, R. | | 登録日 | 2016-12-13 | | 公開日 | 2017-12-13 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.298 Å) | | 主引用文献 | Structure of thrombospondin type 3 repeats in bacterial outer membrane protein A reveals its intra-repeat disulfide bond-dependent calcium-binding capability.
Cell Calcium, 66, 2017
|
|
5WTP
 | | Crystal structure of the C-terminal domain of outer membrane protein A (OmpA) from Capnocytophaga gingivalis | | 分子名称: | OmpA family protein, SULFATE ION | | 著者 | Dai, S, Tan, K, Ye, S, Zhang, R. | | 登録日 | 2016-12-13 | | 公開日 | 2017-12-13 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Structure of thrombospondin type 3 repeats in bacterial outer membrane protein A reveals its intra-repeat disulfide bond-dependent calcium-binding capability.
Cell Calcium, 66, 2017
|
|
5WI0
 | |
