7ADV
 
 | | Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI XZ447 (compound 6v) | | 分子名称: | 4-azanyl-~{N}-[[2,4-bis(fluoranyl)phenyl]methyl]-6-[2-(2-morpholin-4-ylethylsulfonyl)ethyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide, DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3'), ... | | 著者 | Pye, V.E, Cherepanov, P. | | 登録日 | 2020-09-16 | | 公開日 | 2021-03-24 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | HIV-1 Integrase Inhibitors with Modifications That Affect Their Potencies against Drug Resistant Integrase Mutants.
Acs Infect Dis., 7, 2021
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6ROD
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7A0F
 | | The Crystal Structure of Bovine Thrombin in complex with Hirudin (C22U/C39U) at 2.7 Angstroms Resolution | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin variant-1, Prothrombin, ... | | 著者 | Hidmi, T, Mousa, R, Pomyalov, S, Lansky, S, Khouri, L, Metanis, N, Shoham, G. | | 登録日 | 2020-08-07 | | 公開日 | 2021-03-17 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Diselenide crosslinks for enhanced and simplified oxidative protein folding
Commun Chem, 4, 2021
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5M4I
 | | Complex structure of human protein kinase CK2 catalytic subunit with the inhibitor 4'-carboxy-6,8-chloro-flavonol (FLC21) crystallized under high-salt conditions | | 分子名称: | 4-[6,8-bis(chloranyl)-3-oxidanyl-4-oxidanylidene-chromen-2-yl]benzoic acid, CHLORIDE ION, Casein kinase II subunit alpha | | 著者 | Niefind, K, Bischoff, N, Yarmoluk, S.M, Bdzhola, V.G, Golub, A.G, Balanda, A.O, Prykhod'ko, A.O. | | 登録日 | 2016-10-18 | | 公開日 | 2017-01-18 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.218 Å) | | 主引用文献 | Structural Hypervariability of the Two Human Protein Kinase CK2 Catalytic Subunit Paralogs Revealed by Complex Structures with a Flavonol- and a Thieno[2,3-d]pyrimidine-Based Inhibitor.
Pharmaceuticals, 10, 2017
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6RSL
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7A8W
 | | Complex of rice blast (Magnaporthe oryzae) effector protein AVR-PikC with an engineered HMA domain of Pikp-1 from rice (Oryza sativa) | | 分子名称: | NBS-LRR class disease resistance protein, Uncharacterized protein | | 著者 | Maidment, J.H.R, De la Concepcion, J.C, Franceschetti, M, Banfield, M.J. | | 登録日 | 2020-08-31 | | 公開日 | 2021-03-17 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | The allelic rice immune receptor Pikh confers extended resistance to strains of the blast fungus through a single polymorphism in the effector binding interface.
Plos Pathog., 17, 2021
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6RPC
 | | GOLGI ALPHA-MANNOSIDASE II | | 分子名称: | 1,2-ETHANEDIOL, Alpha-mannosidase 2, SUCCINIC ACID, ... | | 著者 | Armstrong, Z, Lahav, D, Johnson, R, Kuo, C.L, Beenakker, T.J.M, de Boer, C, Wong, C.S, Debets, M, van der Stelt, M, Codee, J.D.C, Aerts, J.M.F.G, Wu, L, Overkleeft, H.S, Davies, G.J. | | 登録日 | 2019-05-14 | | 公開日 | 2020-07-08 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Manno- epi -cyclophellitols Enable Activity-Based Protein Profiling of Human alpha-Mannosidases and Discovery of New Golgi Mannosidase II Inhibitors.
J.Am.Chem.Soc., 142, 2020
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7ADU
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6RTE
 | | Dihydro-heme d1 dehydrogenase NirN in complex with DHE | | 分子名称: | (R,R)-2,3-BUTANEDIOL, Cytochrome c, HEME C | | 著者 | Kluenemann, T, Preuss, A, Layer, G, Blankenfeldt, W. | | 登録日 | 2019-05-23 | | 公開日 | 2019-06-19 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Crystal Structure of Dihydro-Heme d1Dehydrogenase NirN from Pseudomonas aeruginosa Reveals Amino Acid Residues Essential for Catalysis.
J.Mol.Biol., 431, 2019
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6ZXM
 | | Diguanylate cyclase DgcR in complex with c-di-GMP | | 分子名称: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), MAGNESIUM ION, Putative GGDEF/response regulator receiver domain protein | | 著者 | Teixeira, R.D, Schirmer, T. | | 登録日 | 2020-07-29 | | 公開日 | 2021-03-31 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Activation mechanism of a small prototypic Rec-GGDEF diguanylate cyclase.
Nat Commun, 12, 2021
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5M43
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6ZSZ
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6ZXC
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5M4C
 | | Complex structure of human protein kinase CK2 catalytic subunit with a thieno[2,3-d]pyrimidin inhibitor crystallized under low-salt conditions | | 分子名称: | 3-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoic acid, CHLORIDE ION, Casein kinase II subunit alpha, ... | | 著者 | Niefind, K, Bischoff, N, Yarmoluk, S.M, Bdzhola, V.G, Golub, A.G, Balanda, A.O, Prykhod'ko, A.O. | | 登録日 | 2016-10-18 | | 公開日 | 2017-01-18 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.935 Å) | | 主引用文献 | Structural Hypervariability of the Two Human Protein Kinase CK2 Catalytic Subunit Paralogs Revealed by Complex Structures with a Flavonol- and a Thieno[2,3-d]pyrimidine-Based Inhibitor.
Pharmaceuticals, 10, 2017
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6ZXB
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6RT8
 | | Structure of catharanthine synthase - an alpha-beta hydrolase from Catharanthus roseus with a cleaviminium intermediate bound | | 分子名称: | 18-carboxymethoxy-cleaviminium, Catharanthine synthase, HEXAETHYLENE GLYCOL | | 著者 | Caputi, L, Franke, J, Bussey, K, Farrow, S.C, Curcino Vieira, I.J, Stevenson, C.E.M, Lawson, D.M, O'Connor, S.E. | | 登録日 | 2019-05-22 | | 公開日 | 2020-03-04 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | | 主引用文献 | Structural basis of cycloaddition in biosynthesis of iboga and aspidosperma alkaloids.
Nat.Chem.Biol., 16, 2020
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5M5D
 | | Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-D-glucal | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Glycosyl hydrolase family 71, ... | | 著者 | Petricevic, M, Sobala, L.F, Fernandes, P.Z, Raich, L, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. | | 登録日 | 2016-10-21 | | 公開日 | 2017-01-11 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.07 Å) | | 主引用文献 | Contribution of Shape and Charge to the Inhibition of a Family GH99 endo-alpha-1,2-Mannanase.
J. Am. Chem. Soc., 139, 2017
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7ADA
 | | Crystal structure of helicase Pif1 from Thermus oshimai mutant Q164C-E409C | | 分子名称: | PIF1 helicase | | 著者 | Dai, Y.X, Chen, W.F, Teng, F.Y, Liu, N.N, Hou, X.M, Dou, S.X, Rety, S, Xi, X.G. | | 登録日 | 2020-09-14 | | 公開日 | 2021-04-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (3.34 Å) | | 主引用文献 | Structural and functional studies of SF1B Pif1 from Thermus oshimai reveal dimerization-induced helicase inhibition.
Nucleic Acids Res., 49, 2021
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6ZZW
 | | Structure of the N terminal domain of Bc2L-C lectin (1-131) in complex with Globo H (H-type 3) and CAS No 912569-62-1 | | 分子名称: | Lectin, SODIUM ION, [3-(2-methylimidazol-1-yl)phenyl]methanamine, ... | | 著者 | Lal, K, Bermeo, R, Imberty, A, Varrot, A. | | 登録日 | 2020-08-05 | | 公開日 | 2021-04-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Prediction and Validation of a Druggable Site on Virulence Factor of Drug Resistant Burkholderia cenocepacia*.
Chemistry, 27, 2021
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6RX1
 | | Crystal structure of human syncytin 1 in post-fusion conformation | | 分子名称: | CHLORIDE ION, GLYCEROL, Syncytin-1 | | 著者 | Ruigrok, K, Backovic, M, Vaney, M.C, Rey, F.A. | | 登録日 | 2019-06-07 | | 公開日 | 2019-11-20 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | X-ray Structures of the Post-fusion 6-Helix Bundle of the Human Syncytins and their Functional Implications.
J.Mol.Biol., 431, 2019
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6RX2
 | | Fragment AZ-005 binding at the p53pT387/14-3-3 sigma interface | | 分子名称: | 14-3-3 protein sigma, 7-[[(2~{S})-1-azanylpropan-2-yl]amino]-1-benzothiophene-2-carboximidamide, CALCIUM ION, ... | | 著者 | Leysen, S, Guillory, X, Wolter, M, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C. | | 登録日 | 2019-06-07 | | 公開日 | 2020-06-17 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
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6S26
 | | Crystal structure of human wild type STING in complex with 2'-3'-cyclic-GMP-7-deaza-AMP | | 分子名称: | 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one, Stimulator of interferon protein | | 著者 | Boura, E, Smola, M, Brynda, J. | | 登録日 | 2019-06-20 | | 公開日 | 2019-11-27 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Enzymatic Preparation of 2'-5',3'-5'-Cyclic Dinucleotides, Their Binding Properties to Stimulator of Interferon Genes Adaptor Protein, and Structure/Activity Correlations.
J.Med.Chem., 62, 2019
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6ZMD
 | | Crystal structure of HYPE covalently tethered to BiP bound to AMP-PNP | | 分子名称: | Endoplasmic reticulum chaperone BiP, MAGNESIUM ION, PHOSPHATE ION, ... | | 著者 | Fauser, J, Gulen, B, Pett, C, Hedberg, C, Itzen, A, Pogenberg, V. | | 登録日 | 2020-07-02 | | 公開日 | 2021-04-14 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | | 主引用文献 | Specificity of AMPylation of the human chaperone BiP is mediated by TPR motifs of FICD.
Nat Commun, 12, 2021
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7A5U
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7A10
 | | LppS with covalent adduct derived from 1g | | 分子名称: | 4-methoxycyclohexa-2,5-diene-1-thione, L,D-transpeptidase 2 | | 著者 | Schnell, R, Steiner, E.M. | | 登録日 | 2020-08-11 | | 公開日 | 2021-04-21 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | N-Thio-beta-lactams targeting L,D-transpeptidase-2, with activity against drug-resistant strains of Mycobacterium tuberculosis.
Cell Chem Biol, 28, 2021
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