5LTX
| LIGAND BINDING DOMAIN OF PSEUDOMONAS AERUGINOSA PAO1 AMINO ACID CHEMORECEPTOR PCTA IN COMPLEX WITH L-MET | 分子名称: | ACETATE ION, Chemotaxis protein, FORMIC ACID, ... | 著者 | Gavira, J.A, Rico-Gimenez, M, Ortega, A, Conejero-Muriel, M, Zhulin, I, Krell, T. | 登録日 | 2016-09-07 | 公開日 | 2017-09-20 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | How Bacterial Chemoreceptors Evolve Novel Ligand Specificities Mbio, 2020
|
|
6GOG
| KRAS-169 Q61H GPPNHP | 分子名称: | CITRIC ACID, GTPase KRas, MAGNESIUM ION, ... | 著者 | Cruz-Migoni, A, Quevedo, C.E, Carr, S.B, Phillips, S.V.E, Rabbitts, T.H. | 登録日 | 2018-06-01 | 公開日 | 2019-02-06 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
|
|
8CZA
| Crystal structure of the first bromodomain (BD1) of human BRDT bound to GXH-IV-075 | 分子名称: | 4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl)amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluoro-N-[1-(14-{3-[(2-{3-fluoro-4-[(piperidin-4-yl)carbamoyl]anilino}-5-methylpyrimidin-4-yl)amino]-5-[(2-methylpropane-2-sulfonyl)amino]phenyl}-14-oxo-4,7,10-trioxa-13-azatetradecanan-1-oyl)piperidin-4-yl]benzamide, Bromodomain testis-specific protein, SODIUM ION | 著者 | Chan, A, Schonbrunn, E. | 登録日 | 2022-05-24 | 公開日 | 2022-08-03 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.96 Å) | 主引用文献 | Bivalent BET Bromodomain Inhibitors Confer Increased Potency and Selectivity for BRDT via Protein Conformational Plasticity. J.Med.Chem., 65, 2022
|
|
6GIW
| Water-soluble Chlorophyll Protein (WSCP) from Lepidium virginicum (Mutation L91P) with Chlorophyll-a | 分子名称: | CHLOROPHYLL A, Water-soluble chlorophyll protein | 著者 | Palm, D.M, Agostini, A, Averesch, V, Girr, P, Werwie, M, Takahashi, S, Satoh, H, Jaenicke, E, Paulsen, H. | 登録日 | 2018-05-15 | 公開日 | 2018-10-17 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Chlorophyll a/b binding-specificity in water-soluble chlorophyll protein. Nat Plants, 4, 2018
|
|
7ZIE
| |
6T0J
| Crystal structure of CYP124 in complex with SQ109 | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, GLYCEROL, ... | 著者 | Bukhdruker, S, Marin, E, Varaksa, T, Gilep, A, Strushkevich, N, Borshchevskiy, V. | 登録日 | 2019-10-03 | 公開日 | 2020-10-14 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Hydroxylation of Antitubercular Drug Candidate, SQ109, by Mycobacterial Cytochrome P450. Int J Mol Sci, 21, 2020
|
|
6SRO
| |
8OIP
| 28S mammalian mitochondrial small ribosomal subunit with mtRF1 and P-site tRNA | 分子名称: | 12S rRNA, 28S ribosomal protein S15, mitochondrial, ... | 著者 | Saurer, M, Leibundgut, M, Scaiola, A, Schoenhut, T, Ban, N. | 登録日 | 2023-03-23 | 公開日 | 2023-05-24 | 最終更新日 | 2024-04-24 | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | 主引用文献 | Molecular basis of translation termination at noncanonical stop codons in human mitochondria. Science, 380, 2023
|
|
6T13
| CRYSTAL STRUCTURE OF GLUCOCEREBROSIDASE IN COMPLEX WITH A PYRROLOPYRAZINE | 分子名称: | 1,2-ETHANEDIOL, 1-[4-[2-(4-methoxyphenyl)-5-methyl-pyrrolo[2,3-b]pyrazin-6-yl]piperidin-1-yl]ethanone, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | 著者 | Benz, J, Ehler, A, Hug, M, Huber, S, Rufer, A.C, Guba, W, Jagasia, R, Hofmann, E.C, Rodriguez Sarmiento, R.M. | 登録日 | 2019-10-03 | 公開日 | 2020-12-23 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Novel beta-Glucocerebrosidase Activators That Bind to a New Pocket at a Dimer Interface and Induce Dimerization. Angew.Chem.Int.Ed.Engl., 60, 2021
|
|
5IQV
| WelO5 bound to Fe, Cl, 2-oxoglutarate, 12-epifischerindole U, and nitric oxide | 分子名称: | (6aS,9R,10R,10aS)-9-ethyl-10-isocyano-6,6,9-trimethyl-5,6,6a,7,8,9,10,10a-octahydroindeno[2,1-b]indole, 2-OXOGLUTARIC ACID, CHLORIDE ION, ... | 著者 | Mitchell, A.J, Boal, A.K. | 登録日 | 2016-03-11 | 公開日 | 2016-06-29 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural basis for halogenation by iron- and 2-oxo-glutarate-dependent enzyme WelO5. Nat.Chem.Biol., 12, 2016
|
|
4YGJ
| NaBr--Interactions between Hofmeister Anions and the Binding Pocket of a Protein | 分子名称: | BROMIDE ION, Carbonic anhydrase 2, ZINC ION | 著者 | Fox, J.M, Kang, K, Sherman, W, Heroux, A, Sastry, G.M, Baghbanzadeh, M, Lockett, M.R, Whitesides, G.M. | 登録日 | 2015-02-26 | 公開日 | 2015-03-25 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Interactions between Hofmeister Anions and the Binding Pocket of a Protein. J.Am.Chem.Soc., 137, 2015
|
|
6SS9
| Human Leukocyte Antigen Class I A02 Carrying LLWNGPMHV | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ... | 著者 | Rizkallah, P.J, Bovay, A. | 登録日 | 2019-09-06 | 公開日 | 2020-07-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Identification of a superagonist variant of the immunodominant Yellow fever virus epitope NS4b214-222by combinatorial peptide library screening. Mol.Immunol., 125, 2020
|
|
6PVM
| |
6GJK
| A degradation product of PD 404182 (P2742) bound to Histone Deacetylase-like Amidohydrolase | 分子名称: | 2-(1,4,5,6-tetrahydropyrimidin-2-yl)benzenethiol, ACETATE ION, D-MALATE, ... | 著者 | Kraemer, A, Meyer-Almes, F.J. | 登録日 | 2018-05-16 | 公開日 | 2019-01-16 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | Covalent inhibition of histone deacetylase 8 by 3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazin-6-imine. Biochim Biophys Acta Gen Subj, 1863, 2019
|
|
5LZV
| Structure of the mammalian ribosomal termination complex with accommodated eRF1(AAQ) and ABCE1. | 分子名称: | 18S ribosomal RNA, 28S ribosomal RNA, 5.8S ribosomal RNA, ... | 著者 | Shao, S, Murray, J, Brown, A, Taunton, J, Ramakrishnan, V, Hegde, R.S. | 登録日 | 2016-10-02 | 公開日 | 2016-11-30 | 最終更新日 | 2024-05-15 | 実験手法 | ELECTRON MICROSCOPY (3.35 Å) | 主引用文献 | Decoding Mammalian Ribosome-mRNA States by Translational GTPase Complexes. Cell, 167, 2016
|
|
6VP6
| |
7NT2
| Crystal structure of SARS CoV2 main protease in complex with FSP006 | 分子名称: | 3C-like proteinase, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Oerlemans, R, Eris, D, Wang, M, Sharpe, M, Domling, A, Groves, M.R. | 登録日 | 2021-03-08 | 公開日 | 2021-06-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.145 Å) | 主引用文献 | Combining High-Throughput Synthesis and High-Throughput Protein Crystallography for Accelerated Hit Identification. Angew.Chem.Int.Ed.Engl., 60, 2021
|
|
7THM
| SARS-CoV-2 nsp12/7/8 complex with a native N-terminus nsp9 | 分子名称: | MANGANESE (II) ION, Non-structural protein 7, Non-structural protein 8, ... | 著者 | Osinski, A, Tagliabracci, V.S, Chen, Z, Li, Y. | 登録日 | 2022-01-11 | 公開日 | 2022-03-16 | 最終更新日 | 2024-01-17 | 実験手法 | ELECTRON MICROSCOPY (3.18 Å) | 主引用文献 | The mechanism of RNA capping by SARS-CoV-2. Nature, 609, 2022
|
|
4YKN
| Pi3K alpha lipid kinase with Active Site Inhibitor | 分子名称: | 3-(6-methoxypyridin-3-yl)-5-[({4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}amino)methyl]benzoic acid, Phosphatidylinositol 3-kinase regulatory subunit alpha,Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform fusion protein | 著者 | Elkins, P.A. | 登録日 | 2015-03-04 | 公開日 | 2015-06-17 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Discovery of a Potent Class of PI3K alpha Inhibitors with Unique Binding Mode via Encoded Library Technology (ELT). Acs Med.Chem.Lett., 6, 2015
|
|
6XWP
| |
6GOF
| KRAS full length G12D GPPNHP | 分子名称: | GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | 著者 | Cruz-Migoni, A, Quevedo, C.E, Carr, S.B, Ehebauer, M.T, Phillips, S.V.E, Rabbitts, T.H. | 登録日 | 2018-06-01 | 公開日 | 2019-02-06 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
|
|
8A2C
| The crystal structure of the S178A mutant of PET40, a PETase enzyme from an unclassified Amycolatopsis | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | 著者 | Costanzi, E, Applegate, V, Port, A, Smits, S.H.J. | 登録日 | 2022-06-03 | 公開日 | 2023-06-14 | 最終更新日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | The metagenome-derived esterase PET40 is highly promiscuous and hydrolyses polyethylene terephthalate (PET). Febs J., 291, 2024
|
|
7NTV
| Crystal structure of SARS CoV2 main protease in complex with DN_EG_002 (modelled using PanDDA event map) | 分子名称: | 2-acetamido-N-cyclopropyl-5-phenyl-thiophene-3-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE | 著者 | Oerlemans, R, Eris, D, Wang, M, Sharpe, M, Domling, A, Groves, M.R. | 登録日 | 2021-03-10 | 公開日 | 2021-06-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.065 Å) | 主引用文献 | Combining High-Throughput Synthesis and High-Throughput Protein Crystallography for Accelerated Hit Identification. Angew.Chem.Int.Ed.Engl., 60, 2021
|
|
6GKB
| |
8OIN
| 55S mammalian mitochondrial ribosome with mtRF1 and P-site tRNA | 分子名称: | 12S rRNA, 16S rRNA, 28S ribosomal protein S15, ... | 著者 | Saurer, M, Leibundgut, M, Scaiola, A, Schoenhut, T, Ban, N. | 登録日 | 2023-03-23 | 公開日 | 2023-06-14 | 最終更新日 | 2024-06-26 | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | 主引用文献 | Molecular basis of translation termination at noncanonical stop codons in human mitochondria. Science, 380, 2023
|
|