6W06
 
 | | Bruton's tyrosine kinase in complex with compound 6 | | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-~{tert}-butyl-~{N}-[[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide, DIMETHYL SULFOXIDE, ... | | 著者 | Metrick, C.M, Marcotte, D.J. | | 登録日 | 2020-02-29 | | 公開日 | 2020-12-16 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Discovery of BIIB068: A Selective, Potent, Reversible Bruton's Tyrosine Kinase Inhibitor as an Orally Efficacious Agent for Autoimmune Diseases.
J.Med.Chem., 63, 2020
|
|
8QFC
 | | UFL1 E3 ligase bound 60S ribosome | | 分子名称: | 60S ribosomal protein L10a, CDK5 regulatory subunit-associated protein 3, DDRGK domain-containing protein 1, ... | | 著者 | Makhlouf, L, Zeqiraj, E, Kulathu, Y. | | 登録日 | 2023-09-04 | | 公開日 | 2024-02-21 | | 最終更新日 | 2025-07-02 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | The UFM1 E3 ligase recognizes and releases 60S ribosomes from ER translocons.
Nature, 627, 2024
|
|
8PZB
 | | crystal structure of VDR in complex with D-Bishomo-1a,25-dihydroxyvitamin D3 Analog 49 | | 分子名称: | (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(4~{a}~{R},5~{S},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,6,7,8,9,9~{a}-octahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, Nuclear receptor coactivator 2, Vitamin D3 receptor A | | 著者 | Rochel, N. | | 登録日 | 2023-07-27 | | 公開日 | 2024-04-24 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | | 主引用文献 | Design, synthesis, and biological activity of D-bishomo-1 alpha ,25-dihydroxyvitamin D 3 analogs and their crystal structures with the vitamin D nuclear receptor.
Eur.J.Med.Chem., 271, 2024
|
|
4PRT
 | |
6LIL
 | |
6DIM
 | | Crystal structure of Tdp1 catalytic domain in complex with Zenobia fragment ZT1982 from cocktail soak | | 分子名称: | 1,2-ETHANEDIOL, 4-hydroxyquinoline-3-carboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | | 著者 | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | | 登録日 | 2018-05-23 | | 公開日 | 2019-05-29 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening.
Nucleic Acids Res., 47, 2019
|
|
6VZV
 | | TTLL6 bound to gamma-elongation analog | | 分子名称: | (2~{S})-2-[[[(3~{R})-3-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid, (2~{S})-2-[[[(3~{S})-3-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-oxidanyl-phosphoryl]methyl]pentanedioic acid, ADENOSINE-5'-DIPHOSPHATE, ... | | 著者 | Mahalingan, K.K, Keenen, E.K, Strickland, M, Li, Y, Liu, Y, Ball, H.L, Tanner, M.E, Tjandra, N, Roll-Mecak, A. | | 登録日 | 2020-02-28 | | 公開日 | 2020-08-12 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | Structural basis for polyglutamate chain initiation and elongation by TTLL family enzymes.
Nat.Struct.Mol.Biol., 27, 2020
|
|
6R5K
 | |
6DDD
 | | Structure of the 50S ribosomal subunit from Methicillin Resistant Staphylococcus aureus in complex with the oxazolidinone antibiotic LZD-5 | | 分子名称: | 2,2-dichloro-N-({(5S)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide, 23S rRNA, 50S ribosomal protein L13, ... | | 著者 | Belousoff, M.J, Venugopal, H, Bamert, R.S, Lithgow, T. | | 登録日 | 2018-05-10 | | 公開日 | 2019-03-20 | | 最終更新日 | 2024-10-16 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | cryoEM-Guided Development of Antibiotics for Drug-Resistant Bacteria.
ChemMedChem, 14, 2019
|
|
9K8M
 | | Hypoxanthine-guanine phosphoribosyltransferase from E. coli with HEPES | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Hypoxanthine phosphoribosyltransferase | | 著者 | Timofeev, V.I, Shevtsov, M.B, Abramchik, Y.A, Kostromina, M.A, Zayats, E.A, Kuranova, I.P, Esipov, R.S. | | 登録日 | 2024-10-24 | | 公開日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | | 主引用文献 | Hypoxanthine-guanine phosphoribosyltransferase from E. coli with HEPES
To Be Published
|
|
6LJV
 | | Crystal structure of human FABP4 in complex with a novel inhibitor | | 分子名称: | 2-[[3-chloranyl-2-(2,3-dihydro-1-benzofuran-5-yl)phenyl]amino]benzoic acid, Fatty acid-binding protein, adipocyte | | 著者 | Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C. | | 登録日 | 2019-12-17 | | 公開日 | 2020-04-15 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.401 Å) | | 主引用文献 | Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation.
J.Med.Chem., 63, 2020
|
|
6VVD
 | |
5B7E
 | | Structure of perdeuterated CueO | | 分子名称: | Blue copper oxidase CueO, COPPER (II) ION, CU-O-CU LINKAGE, ... | | 著者 | Akter, M, Higuchi, Y, Shibata, N. | | 登録日 | 2016-06-07 | | 公開日 | 2016-10-19 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | Biochemical, spectroscopic and X-ray structural analysis of deuterated multicopper oxidase CueO prepared from a new expression construct for neutron crystallography
Acta Crystallogr.,Sect.F, 72, 2016
|
|
7Q0R
 | | Structure of the Candida albicans 80S ribosome in complex with blasticidin s | | 分子名称: | 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0, ... | | 著者 | Kolosova, O, Zgadzay, Y, Stetsenko, A, Jenner, L, Guskov, A, Yusupova, G, Yusupov, M. | | 登録日 | 2021-10-16 | | 公開日 | 2022-05-25 | | 最終更新日 | 2022-06-08 | | 実験手法 | ELECTRON MICROSCOPY (2.67 Å) | | 主引用文献 | E-site drug specificity of the human pathogen Candida albicans ribosome.
Sci Adv, 8, 2022
|
|
6LK9
 | | Coho salmon ferritin | | 分子名称: | Coho salmon ferritin, FE (III) ION | | 著者 | Wang, Z, Zang, J, Li, H, Tan, X, Du, M. | | 登録日 | 2019-12-18 | | 公開日 | 2020-12-23 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.099 Å) | | 主引用文献 | Coho salmon ferritin
To Be Published
|
|
4PFF
 | | Crystal structure of Plasmodium vivax SHMT with PLP Schiff base | | 分子名称: | PYRIDOXAL-5'-PHOSPHATE, Serine hydroxymethyltransferase, putative | | 著者 | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U. | | 登録日 | 2014-04-29 | | 公開日 | 2014-12-17 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structures of Plasmodium vivax serine hydroxymethyltransferase: implications for ligand-binding specificity and functional control.
Acta Crystallogr.,Sect.D, 70, 2014
|
|
5B8A
 | | Crystal structure of oxidized chimeric EcAhpC1-186-YFSKHN | | 分子名称: | Alkyl hydroperoxide reductase subunit C,Peroxiredoxin-2, GLYCEROL, SULFATE ION | | 著者 | Kamariah, N, Sek, M.F, Eisenhaber, B, Eisenhaber, F, Gruber, G. | | 登録日 | 2016-06-14 | | 公開日 | 2017-02-01 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Transition steps in peroxide reduction and a molecular switch for peroxide robustness of prokaryotic peroxiredoxins.
Sci Rep, 6, 2016
|
|
6W1T
 | | RT XFEL structure of Photosystem II 250 microseconds after the second illumination at 2.01 Angstrom resolution | | 分子名称: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | 著者 | Ibrahim, M, Fransson, T, Chatterjee, R, Cheah, M.H, Hussein, R, Lassalle, L, Sutherlin, K.D, Young, I.D, Fuller, F.D, Gul, S, Kim, I.-S, Simon, P.S, de Lichtenberg, C, Chernev, P, Bogacz, I, Pham, C, Orville, A.M, Saichek, N, Northen, T.R, Batyuk, A, Carbajo, S, Alonso-Mori, R, Tono, K, Owada, S, Bhowmick, A, Bolotovski, R, Mendez, D, Moriarty, N.W, Holton, J.M, Dobbek, H, Brewster, A.S, Adams, P.D, Sauter, N.K, Bergmann, U, Zouni, A, Messinger, J, Kern, J, Yachandra, V.K, Yano, J. | | 登録日 | 2020-03-04 | | 公開日 | 2020-05-13 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Untangling the sequence of events during the S2→ S3transition in photosystem II and implications for the water oxidation mechanism.
Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
6L58
 | | Cu(II) loaded Tegillarca granosa M-ferritin soaked with Fe(II) | | 分子名称: | COPPER (II) ION, Ferritin | | 著者 | Jiang, Q.Q, Su, X.R, Ming, T.H, Huan, H.S. | | 登録日 | 2019-10-22 | | 公開日 | 2019-11-06 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (3.90270972 Å) | | 主引用文献 | Structural Insights Into the Effects of Interactions With Iron and Copper Ions on Ferritin From the Blood Clam Tegillarca granosa.
Front Mol Biosci, 9, 2022
|
|
7M2G
 | | INTERLEUKIN-2 (human) mutant P65K, C125S | | 分子名称: | GLYCEROL, Interleukin-2, SULFATE ION | | 著者 | Ptacin, J.L, Milla, M.E, Steinbacher, S, Maskos, K, Thomsen, M. | | 登録日 | 2021-03-16 | | 公開日 | 2021-08-04 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | An engineered IL-2 reprogrammed for anti-tumor therapy using a semi-synthetic organism.
Nat Commun, 12, 2021
|
|
4P2Y
 | |
5BOT
 | |
8PZ7
 | | crystal structure of VDR complex with D-Bishomo-1a,25-dihydroxyvitamin D3 Analog 57 | | 分子名称: | (1~{R},3~{R})-5-[(2~{E})-2-[(4~{a}~{R},5~{R},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,8,9,9~{a}-hexahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]-2-methyl-cyclohexane-1,3-diol, Nuclear receptor coactivator 2, Vitamin D3 receptor A | | 著者 | Rochel, N. | | 登録日 | 2023-07-27 | | 公開日 | 2023-08-30 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.93 Å) | | 主引用文献 | Design, synthesis, and biological activity of D-bishomo-1 alpha ,25-dihydroxyvitamin D 3 analogs and their crystal structures with the vitamin D nuclear receptor.
Eur.J.Med.Chem., 271, 2024
|
|
9JQC
 | |
4P36
 | | Crystal structure of DJ-1 With Zn(II) bound (crystal 2) | | 分子名称: | 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, Protein DJ-1, ZINC ION | | 著者 | Tashiro, S, Wu, C.-X, Hoang, Q.Q, Caaveiro, J.M.M, Tsumoto, K. | | 登録日 | 2014-03-05 | | 公開日 | 2014-04-09 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.182 Å) | | 主引用文献 | Thermodynamic and Structural Characterization of the Specific Binding of Zn(II) to Human Protein DJ-1.
Biochemistry, 53, 2014
|
|
