6Z19
 
 | | Crystal structure of P8C9 bound to CK2alpha | | 分子名称: | ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, Casein kinase II subunit alpha, ... | | 著者 | Atkinson, E, Iegre, J, Brear, P, Baker, D, Sore, H, Hyvonen, M, Spring, D. | | 登録日 | 2020-05-13 | | 公開日 | 2021-05-26 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Development of small cyclic peptides targeting the CK2 alpha / beta interface.
Chem.Commun.(Camb.), 58, 2022
|
|
7P5V
 | |
7ONR
 | | PARP1 catalytic domain in complex with 8-chloroquinazolinone-based inhibitor (compound 9) | | 分子名称: | 8-chloranyl-2-[3-[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]propyl]-3~{H}-quinazolin-4-one, Poly [ADP-ribose] polymerase 1, SULFATE ION | | 著者 | Schimpl, M, Balazs, A, Barratt, D, Bista, M, Chuba, M, Degorce, S.L, Di Fruscia, P, Embrey, K, Ghosh, A, Gill, S, Gunnarsson, A, Hande, S, Hemsley, P, Illuzzi, G, Lane, J, Larner, C, Leo, E, Madin, A, Martin, S, McWilliams, L, Orme, J, Pachl, F, Packer, M, Pike, A, Staniszewska, A.D, Talbot, V, Underwood, E, Varnes, G.J, Zhang, A, Zheng, X, Johannes, J.W. | | 登録日 | 2021-05-25 | | 公開日 | 2021-09-15 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Discovery of 5-{4-[(7-Ethyl-6-oxo-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl}- N -methylpyridine-2-carboxamide (AZD5305): A PARP1-DNA Trapper with High Selectivity for PARP1 over PARP2 and Other PARPs.
J.Med.Chem., 64, 2021
|
|
6HVF
 | | Kinase domain of cSrc in complex with compound 29B | | 分子名称: | 1,2-ETHANEDIOL, Proto-oncogene tyrosine-protein kinase Src, ~{N}-[3-[3-ethyl-6-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxidanylidene-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]prop-2-enamide | | 著者 | Keul, M, Mueller, M.P, Rauh, D. | | 登録日 | 2018-10-10 | | 公開日 | 2019-10-23 | | 最終更新日 | 2020-01-01 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Inhibition of osimertinib-resistant epidermal growth factor receptor EGFR-T790M/C797S.
Chem Sci, 10, 2019
|
|
6U2S
 | | Structure-based discovery of a novel small-molecule inhibitor of methicillin-resistant S. aureus | | 分子名称: | Bi-component leukocidin LukED subunit D, fos-choline-14 | | 著者 | Liu, J, Kozhaya, L, Torres, V.J, Unutmaz, D, Lu, M. | | 登録日 | 2019-08-20 | | 公開日 | 2020-03-25 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structure-based discovery of a small-molecule inhibitor of methicillin-resistantStaphylococcus aureusvirulence.
J.Biol.Chem., 295, 2020
|
|
6U33
 | | Structure-based discovery of a novel small-molecule inhibitor of methicillin-resistant S. aureus | | 分子名称: | Bi-component leukocidin LukED subunit D, NICKEL (II) ION | | 著者 | Liu, J, Kozhaya, L, Torres, V.J, Unutmaz, D, Lu, M. | | 登録日 | 2019-08-21 | | 公開日 | 2020-03-25 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Structure-based discovery of a small-molecule inhibitor of methicillin-resistantStaphylococcus aureusvirulence.
J.Biol.Chem., 295, 2020
|
|
7P60
 | |
7OSL
 | |
6HWT
 | | Crystal structure of p38alpha in complex with a reduced photoswitchable 2-Azothiazol-based Inhibitor (compound 31) | | 分子名称: | 3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-(2-phenylhydrazinyl)-1,3-thiazol-5-yl]pyridin-2-yl]propanamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | 著者 | Mueller, M.P, Rauh, D. | | 登録日 | 2018-10-15 | | 公開日 | 2019-04-17 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | 2-Azo-, 2-diazocine-thiazols and 2-azo-imidazoles as photoswitchable kinase inhibitors: limitations and pitfalls of the photoswitchable inhibitor approach.
Photochem. Photobiol. Sci., 18, 2019
|
|
6TY3
 | | FAK structure from single particle analysis of 2D crystals | | 分子名称: | Focal adhesion kinase 1 | | 著者 | Acebron, I, Righetto, R, Biyani, N, Chami, M, Boskovic, J, Stahlberg, H, Lietha, D. | | 登録日 | 2020-01-15 | | 公開日 | 2020-08-19 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (6.32 Å) | | 主引用文献 | Structural basis of Focal Adhesion Kinase activation on lipid membranes.
Embo J., 39, 2020
|
|
6U5B
 | | CryoEM Structure of Pyocin R2 - precontracted - baseplate | | 分子名称: | Glue PA0627, Ripcord PA0626, Sheath Initiator PA0617, ... | | 著者 | Ge, P, Avaylon, J, Scholl, D, Shneider, M.M, Browning, C, Buth, S.A, Plattner, M, Ding, K, Leiman, P.G, Miller, J.F, Zhou, Z.H. | | 登録日 | 2019-08-27 | | 公開日 | 2020-04-15 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Action of a minimal contractile bactericidal nanomachine.
Nature, 580, 2020
|
|
6TXT
 | |
6HZH
 | |
7OR6
 | |
7ORD
 | |
6HPI
 | |
6U8K
 | | Crystal structure of hepatitis C virus IRES junction IIIabc in complex with Fab HCV3 | | 分子名称: | Heavy chain of Fab HCV3, JIIIabc RNA (68-MER), Light chain of Fab HCV3 | | 著者 | Koirala, D, Lewicka, A, Koldobskaya, Y, Huang, H, Piccirilli, J.A. | | 登録日 | 2019-09-05 | | 公開日 | 2019-12-04 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Synthetic Antibody Binding to a Preorganized RNA Domain of Hepatitis C Virus Internal Ribosome Entry Site Inhibits Translation.
Acs Chem.Biol., 15, 2020
|
|
6HVK
 | | Pepducin UT-Pep2 a biased allosteric agonist of Urotensin-II receptor | | 分子名称: | Urotensin-2 receptor | | 著者 | Carotenuto, A, Hoang, T.A, Nassour, H, Martin, R.D, Billard, E, Myriam, L, Novellino, E, Tanny, J.C, Fournier, A, Hebert, T.E, Chatenet, D. | | 登録日 | 2018-10-11 | | 公開日 | 2019-10-30 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Lipidated peptides derived from intracellular loops 2 and 3 of the urotensin II receptor act as biased allosteric ligands.
J.Biol.Chem., 297, 2021
|
|
7P51
 | |
6I1I
 | | Crystal structure of TP domain from Escherichia coli penicillin-binding protein 3 in complex with penicillin | | 分子名称: | Peptidoglycan D,D-transpeptidase FtsI,Peptidoglycan D,D-transpeptidase FtsI, Piperacillin (Open Form) | | 著者 | Bellini, D, Koekemoer, L, Newman, H, Dowson, C.G. | | 登録日 | 2018-10-28 | | 公開日 | 2019-11-20 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Novel and Improved Crystal Structures of H. influenzae, E. coli and P. aeruginosa Penicillin-Binding Protein 3 (PBP3) and N. gonorrhoeae PBP2: Toward a Better Understanding of beta-Lactam Target-Mediated Resistance.
J.Mol.Biol., 431, 2019
|
|
6U1T
 | | Crystal structure of anti-Nipah virus (NiV) F 5B3 antibody Fab fragment | | 分子名称: | CHLORIDE ION, antigen-binding (Fab) fragment, heavy chain, ... | | 著者 | Dang, H.V, Chan, Y.P, Park, Y.J, Snijder, J, Da Silva, S.C, Vu, B, Yan, L, Feng, Y.R, Rockx, B, Geisbert, T, Mire, C, Mire, C.E, BBroder, C.C, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | 登録日 | 2019-08-16 | | 公開日 | 2019-10-09 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.483 Å) | | 主引用文献 | An antibody against the F glycoprotein inhibits Nipah and Hendra virus infections.
Nat.Struct.Mol.Biol., 26, 2019
|
|
6I45
 | | Crystal structure of I13V/I62V/V77I South African HIV-1 subtype C protease containing a D25A mutation | | 分子名称: | DI(HYDROXYETHYL)ETHER, Protease, SODIUM ION | | 著者 | Sherry, D, Pandian, R, Achilonu, I.A, Dirr, H.W, Sayed, Y. | | 登録日 | 2018-11-09 | | 公開日 | 2020-02-26 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Non-active site mutations in the HIV protease: Diminished drug binding affinity is achieved through modulating the hydrophobic sliding mechanism.
Int.J.Biol.Macromol., 217, 2022
|
|
6U5H
 | | CryoEM Structure of Pyocin R2 - precontracted - hub | | 分子名称: | Probable bacteriophage protein Pyocin R2 | | 著者 | Ge, P, Avaylon, J, Scholl, D, Shneider, M.M, Browning, C, Buth, S.A, Plattner, M, Ding, K, Leiman, P.G, Miller, J.F, Zhou, Z.H. | | 登録日 | 2019-08-27 | | 公開日 | 2020-04-15 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (4 Å) | | 主引用文献 | Action of a minimal contractile bactericidal nanomachine.
Nature, 580, 2020
|
|
6I1F
 | | Crystal structure of TP domain from Chlamydia trachomatis Penicillin-Binding Protein 3 in complex with amoxicillin | | 分子名称: | 2-{1-[2-AMINO-2-(4-HYDROXY-PHENYL)-ACETYLAMINO]-2-OXO-ETHYL}-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID, Penicillin-binding protein,Penicillin-binding protein | | 著者 | Bellini, D, Koekemoer, L, Newman, H, Dowson, C.G. | | 登録日 | 2018-10-28 | | 公開日 | 2019-11-20 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Crystal structure of TP domain from Chlamydia trachomatis Penicillin-Binding Protein 3 in complex with amoxicillin
To Be Published
|
|
7ORW
 | | Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00265 | | 分子名称: | 1H-benzimidazol-4-amine, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Talibov, V.O, Kozielski, F, Sele, C, Lou, J, Dong, D, Wang, Q, Shi, X, Nyblom, M, Rogstam, A, Krojer, T, Knecht, W, Fisher, S.Z. | | 登録日 | 2021-06-06 | | 公開日 | 2021-10-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Identification of fragments binding to SARS-CoV-2 nsp10 reveals ligand-binding sites in conserved interfaces between nsp10 and nsp14/nsp16.
Rsc Chem Biol, 3, 2022
|
|
