8DW9
 
 | |
8DWA
 | |
8HC9
 | | SARS-CoV-2 Omicron BA.1 spike trimer (6P) in complex with 3 YB13-292 Fabs (3 RBD down) | | 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, Heavy chain of YB13-292 Fab, ... | | 著者 | Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X. | | 登録日 | 2022-11-01 | | 公開日 | 2023-01-25 | | 最終更新日 | 2023-08-02 | | 実験手法 | ELECTRON MICROSCOPY (6.03 Å) | | 主引用文献 | Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants.
Nat Commun, 14, 2023
|
|
8HC2
 | | SARS-CoV-2 Omicron BA.1 spike trimer (6P) in complex with 1 YB9-258 Fab (1 RBD up) | | 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, Heavy chain of YB9-258 Fab, ... | | 著者 | Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X. | | 登録日 | 2022-11-01 | | 公開日 | 2023-01-25 | | 最終更新日 | 2023-08-02 | | 実験手法 | ELECTRON MICROSCOPY (6.21 Å) | | 主引用文献 | Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants.
Nat Commun, 14, 2023
|
|
5K4I
 | | Crystal Structure of ERK2 in complex with compound 22 | | 分子名称: | 1,2-ETHANEDIOL, 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one, Mitogen-activated protein kinase 1 | | 著者 | Yin, J, Wang, W. | | 登録日 | 2016-05-20 | | 公開日 | 2016-07-06 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Discovery of (S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one (GDC-0994), an Extracellular Signal-Regulated Kinase 1/2 (ERK1/2) Inhibitor in Early Clinical Development.
J.Med.Chem., 59, 2016
|
|
3EIR
 | |
8B78
 | | KRasG12C ligand complex | | 分子名称: | 1-[(4~{a}~{R})-8-(2-chloranyl-6-oxidanyl-phenyl)-7-fluoranyl-9-prop-1-ynyl-1,2,4,4~{a},5,11-hexahydropyrazino[2,1-c][1,4]benzoxazepin-3-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Phillips, C, Breed, J. | | 登録日 | 2022-09-29 | | 公開日 | 2023-07-12 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.11 Å) | | 主引用文献 | Discovery of AZD4747, a Potent and Selective Inhibitor of Mutant GTPase KRAS G12C with Demonstrable CNS Penetration.
J.Med.Chem., 66, 2023
|
|
8B6I
 | | KRasG12C ligand complex | | 分子名称: | 1-[(4~{a}~{S})-7-chloranyl-8-(5-methyl-2~{H}-indazol-4-yl)-1,2,4,4~{a},5,11-hexahydropyrazino[2,1-c][1,4]benzoxazepin-3-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Phillips, C, Breed, J. | | 登録日 | 2022-09-27 | | 公開日 | 2023-07-12 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Discovery of AZD4747, a Potent and Selective Inhibitor of Mutant GTPase KRAS G12C with Demonstrable CNS Penetration.
J.Med.Chem., 66, 2023
|
|
6WNY
 | | Crystal structure of BACE1 in complex with (Z)-fluoro-olefin containing compound 15 | | 分子名称: | 6-[(Z)-2-{3-[(1S,5S,6S)-3-amino-5-methyl-1-(morpholine-4-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl}-1-fluoroethenyl]pyridine-3-carbonitrile, Beta-secretase 1, IODIDE ION | | 著者 | Whittington, D.A. | | 登録日 | 2020-04-23 | | 公開日 | 2020-06-03 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | The development of a structurally distinct series of BACE1 inhibitors via the (Z)-fluoro-olefin amide bioisosteric replacement.
Bioorg.Med.Chem.Lett., 30, 2020
|
|
5K4J
 | | Crystal Structure of CDK2 in complex with compound 22 | | 分子名称: | 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one, Cyclin-dependent kinase 2 | | 著者 | Yin, J, Wang, W. | | 登録日 | 2016-05-20 | | 公開日 | 2016-07-06 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Discovery of (S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one (GDC-0994), an Extracellular Signal-Regulated Kinase 1/2 (ERK1/2) Inhibitor in Early Clinical Development.
J.Med.Chem., 59, 2016
|
|
3EIT
 | |
9B0M
 | |
7RW2
 | |
6T5V
 | | KRasG12C ligand complex | | 分子名称: | 1-[4-[6-chloranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Phillips, C. | | 登録日 | 2019-10-17 | | 公開日 | 2020-02-19 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | | 主引用文献 | Structure-Based Design and Pharmacokinetic Optimization of Covalent Allosteric Inhibitors of the Mutant GTPase KRASG12C.
J.Med.Chem., 63, 2020
|
|
7LS9
 | |
7LSS
 | | Cryo-EM structure of the SARS-CoV-2 spike glycoprotein bound to Fab 2-7 | | 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, Fab 2-7 variable heavy chain, ... | | 著者 | Rapp, M, Shapiro, L. | | 登録日 | 2021-02-18 | | 公開日 | 2021-03-17 | | 最終更新日 | 2021-09-29 | | 実験手法 | ELECTRON MICROSCOPY (3.72 Å) | | 主引用文献 | Structural basis for accommodation of emerging B.1.351 and B.1.1.7 variants by two potent SARS-CoV-2 neutralizing antibodies.
Structure, 29, 2021
|
|
4NOK
 | | Crystal structure of proenzyme asparaginyl endopeptidase (AEP)/Legumain at pH 7.5 | | 分子名称: | Legumain | | 著者 | Zhao, L, Hua, T, Ru, H, Ni, X, Shaw, N, Jiao, L, Ding, W, Qu, L, Ouyang, S, Liu, Z.J. | | 登録日 | 2013-11-19 | | 公開日 | 2014-02-19 | | 最終更新日 | 2014-03-19 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural analysis of asparaginyl endopeptidase reveals the activation mechanism and a reversible intermediate maturation stage.
Cell Res., 24, 2014
|
|
4NOM
 | | Crystal structure of asparaginyl endopeptidase (AEP)/Legumain activated at pH 4.5 | | 分子名称: | Legumain | | 著者 | Zhao, L, Hua, T, Ru, H, Ni, X, Shaw, N, Jiao, L, Ding, W, Qu, L, Ouyang, S, Liu, Z.J. | | 登録日 | 2013-11-19 | | 公開日 | 2014-02-19 | | 最終更新日 | 2014-03-19 | | 実験手法 | X-RAY DIFFRACTION (2.006 Å) | | 主引用文献 | Structural analysis of asparaginyl endopeptidase reveals the activation mechanism and a reversible intermediate maturation stage.
Cell Res., 24, 2014
|
|
7N5H
 | | Cryo-EM structure of broadly neutralizing antibody 2-36 in complex with prefusion SARS-CoV-2 spike glycoprotein | | 分子名称: | 2-36 Fab heavy chain, 2-36 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Casner, R.G, Cerutti, G, Shapiro, L. | | 登録日 | 2021-06-05 | | 公開日 | 2021-11-03 | | 最終更新日 | 2022-11-16 | | 実験手法 | ELECTRON MICROSCOPY (3.24 Å) | | 主引用文献 | A monoclonal antibody that neutralizes SARS-CoV-2 variants, SARS-CoV, and other sarbecoviruses.
Emerg Microbes Infect, 11, 2022
|
|
2FX4
 | |
2FX6
 | |
2FWW
 | |
2FPZ
 | |
2FS8
 | | Human beta-tryptase II with inhibitor CRA-29382 | | 分子名称: | ALLYL {(1S)-1-[(5-{4-[(2,3-DIHYDRO-1H-INDEN-2-YLAMINO)CARBONYL]BENZYL}-1,2,4-OXADIAZOL-3-YL)CARBONYL]-3-PYRROLIDIN-3-YLPROPYL}CARBAMATE, Tryptase beta-2 | | 著者 | Somoza, J.R. | | 登録日 | 2006-01-21 | | 公開日 | 2006-03-21 | | 最終更新日 | 2017-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structure-guided design of Peptide-based tryptase inhibitors.
Biochemistry, 45, 2006
|
|
2G8A
 | |
