8PHK
 
 | | fully recruited RfaH bound to E. coli transcription complex paused at ops site | | 分子名称: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | | 著者 | Zuber, P.K, Said, N, Hilal, T, Loll, B, Wahl, M.C, Knauer, S.H. | | 登録日 | 2023-06-20 | | 公開日 | 2024-04-24 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Concerted transformation of a hyper-paused transcription complex and its reinforcing protein.
Nat Commun, 15, 2024
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8PPR
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8QN5
 | | M. tuberculosis salicylate synthase MbtI in complex with methyl-AMT (new crystal form) | | 分子名称: | 3-{[(1Z)-1-carboxyprop-1-en-1-yl]oxy}-2-hydroxybenzoic acid, AMMONIUM ION, CITRATE ANION, ... | | 著者 | Mori, M, Villa, S, Meneghetti, M, Bellinzoni, M. | | 登録日 | 2023-09-25 | | 公開日 | 2023-11-15 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.544 Å) | | 主引用文献 | Structural Study of a New MbtI-Inhibitor Complex: Towards an Optimized Model for Structure-Based Drug Discovery.
Pharmaceuticals, 16, 2023
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8R1G
 | | Dimeric ternary structure of E6AP-E6-p53 | | 分子名称: | Cellular tumor antigen p53, Ubiquitin-like protein SMT3,Protein E6, Ubiquitin-protein ligase E3A, ... | | 著者 | Sandate, C.R, Chakrabory, D, Kater, L, Kempf, G, Thoma, N.H. | | 登録日 | 2023-11-01 | | 公開日 | 2023-12-06 | | 最終更新日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (3.99 Å) | | 主引用文献 | Structural insights into viral hijacking of p53 by E6 and E6AP
Biorxiv, 2023
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8QBX
 | | Chimeric Adenovirus-derived dodecamer | | 分子名称: | Penton protein | | 著者 | Buzas, D, Borucu, U, Bufton, J, Kapadalakere, S.Y, Toelzer, C. | | 登録日 | 2023-08-25 | | 公開日 | 2023-12-27 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (2.2 Å) | | 主引用文献 | Engineering the ADDobody protein scaffold for generation of high-avidity ADDomer super-binders.
Structure, 32, 2024
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8QCF
 | | yeast cytoplasmic exosome-Ski2 complex degrading a RNA substrate | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Antiviral helicase SKI2, Exosome complex component CSL4, ... | | 著者 | Keidel, A, Koegel, A, Reichelt, P, Kowalinski, E, Schaefer, I.B, Conti, E. | | 登録日 | 2023-08-25 | | 公開日 | 2024-01-10 | | 実験手法 | ELECTRON MICROSCOPY (2.55 Å) | | 主引用文献 | Concerted structural rearrangements enable RNA channeling into the cytoplasmic Ski238-Ski7-exosome assembly.
Mol.Cell, 83, 2023
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8Q7Y
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8QY9
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8QYB
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8QJS
 | | VHL/Elongin B/Elongin C complex with compound 155 | | 分子名称: | (2S,4R)-1-[(2R)-2-[3-[2-(2-methoxyethoxy)ethoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | | 著者 | Kerry, P.S, Hole, A.J, Perez-Dorado, J.I. | | 登録日 | 2023-09-13 | | 公開日 | 2024-01-17 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (3.191 Å) | | 主引用文献 | PROTACs Targeting BRM (SMARCA2) Afford Selective In Vivo Degradation over BRG1 (SMARCA4) and Are Active in BRG1 Mutant Xenograft Tumor Models.
J.Med.Chem., 67, 2024
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4XIF
 | | Human OGT in complex with UDP-5S-GlcNAc and substrate peptide (keratin-7) | | 分子名称: | (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, Keratin, type II cytoskeletal 7, ... | | 著者 | Schimpl, M, van Aalten, D.M.F. | | 登録日 | 2015-01-06 | | 公開日 | 2015-08-05 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | The active site of O-GlcNAc transferase imposes constraints on substrate sequence.
Nat.Struct.Mol.Biol., 22, 2015
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6SBH
 | | Human Carbonic Anhydrase II in complex with 4-pentylbenzenesulfonamide. | | 分子名称: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-pentylbenzenesulfonamide, Carbonic anhydrase 2, ... | | 著者 | Gloeckner, S, Ngo, K, Heine, A, Klebe, G. | | 登録日 | 2019-07-20 | | 公開日 | 2020-04-08 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (0.95 Å) | | 主引用文献 | Conformational Changes in Alkyl Chains Determine the Thermodynamic and Kinetic Binding Profiles of Carbonic Anhydrase Inhibitors.
Acs Chem.Biol., 15, 2020
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8BA9
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4XSV
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8BR6
 | | Discovery of IRAK4 Inhibitor 40 | | 分子名称: | ACETATE ION, Interleukin-1 receptor-associated kinase 4, ~{N}-[6-methoxy-2-(2-methylsulfonylethyl)-1,3-dihydroindazol-5-yl]-6-(2-oxidanylpropan-2-yl)pyridine-2-carboxamide | | 著者 | Schafer, M, Bothe, U, Schmidt, N, Gunther, J, Nubbemeyer, R, Siebeneicher, H, Ring, S, Boemer, U, Peters, M, Denner, K, Himmel, H, Sutter, A, Terebesi, I, Lange, M, Wengner, A.M, Guimond, N, Thaler, T, Platzek, J, Ewerspaecher, U, Steuber, H, Steinmeyer, A, Zollner, T.M. | | 登録日 | 2022-11-22 | | 公開日 | 2024-01-31 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.167 Å) | | 主引用文献 | Discovery of IRAK4 Inhibitors BAY1834845 (Zabedosertib) and BAY1830839 .
J.Med.Chem., 67, 2024
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4XKV
 | | Tailspike protein mutant D339N of E. coli bacteriophage HK620 | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, SODIUM ION, ... | | 著者 | Gohlke, U, Broeker, N.K, Heinemann, U, Seckler, R, Barbirz, S. | | 登録日 | 2015-01-12 | | 公開日 | 2016-01-20 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Enthalpic cost of water removal from a hydrophobic glucose binding cavity on HK620 tailspike protein.
to be published
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4XL9
 | | Tailspike protein mutant D339A of E. coli bacteriophage HK620 | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, SODIUM ION, ... | | 著者 | Gohlke, U, Broeker, N.K, Heinemann, U, Seckler, R, Barbirz, S. | | 登録日 | 2015-01-13 | | 公開日 | 2016-01-20 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Enthalpic cost of water removal from a hydrophobic glucose binding cavity on HK620 tailspike protein.
to be published
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8BTP
 | | Helical structure of BcThsA in complex with 1''-3'gc(etheno)ADPR | | 分子名称: | (1S,3S,4R,5R,7R,15R,16S,17R)-5-imidazo[2,1-f]purin-3-yl-10,12-bis(oxidanyl)-10,12-bis(oxidanylidene)-2,6,9,11,13,18-hexaoxa-10$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{3,7}]octadecane-4,16,17-triol, ETHENO-NAD, NAD(+) hydrolase ThsA | | 著者 | Tamulaitiene, G, Sasnauskas, G, Sabonis, D. | | 登録日 | 2022-11-29 | | 公開日 | 2024-02-21 | | 最終更新日 | 2024-04-03 | | 実験手法 | ELECTRON MICROSCOPY (2.75 Å) | | 主引用文献 | Activation of Thoeris antiviral system via SIR2 effector filament assembly.
Nature, 627, 2024
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4XCX
 | | METHYLTRANSFERASE DOMAIN OF SMALL RNA 2'-O-METHYLTRANSFERASE | | 分子名称: | S-ADENOSYL-L-HOMOCYSTEINE, Small RNA 2'-O-methyltransferase | | 著者 | Walker, J.R, Zeng, H, Dong, A, Li, Y, Wernimont, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC) | | 登録日 | 2014-12-18 | | 公開日 | 2015-01-14 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.84 Å) | | 主引用文献 | Crystal structure of human C1ORF59 in complex with SAH
To be published
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4XW0
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8BM8
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 11 | | 分子名称: | Ephrin type-A receptor 2, ~{N}-(3-cyanophenyl)-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide | | 著者 | Linhard, V, Witt, K, Gande, S, Wollenhaupt, J, Lennartz, F, Weiss, M.S, Schwalbe, H. | | 登録日 | 2022-11-10 | | 公開日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | (placeholder, will be filled after publication)
To Be Published
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8BIK
 | | Crystal structure of human AMPK heterotrimer in complex with allosteric activator C455 | | 分子名称: | (3~{R},3~{a}~{R},6~{R},6~{a}~{R})-6-[[6-chloranyl-5-[4-[4-[[dimethyl(oxidanyl)-$l^{4}-sulfanyl]amino]phenyl]phenyl]-3~{H}-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]furan-3-ol, 5'-AMP-activated protein kinase catalytic subunit alpha-2, 5'-AMP-activated protein kinase subunit beta-1, ... | | 著者 | Schimpl, M, Mather, K.M, Boland, M.L, Rivers, E.L, Srivastava, A, Hemsley, P, Robinson, J, Wan, P.T, Hansen, J, Read, J.A, Trevaskis, J.L, Smith, D.M. | | 登録日 | 2022-11-02 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Direct beta 1/ beta 2 AMPK activation reduces liver steatosis but not fibrosis in a mouse model of non-alcoholic steatohepatitis
Biorxiv, 2024
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6SNA
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8BOX
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8BOP
 | | LSD1-CoREST in complex with AW4, long soaking | | 分子名称: | Lysine-specific histone demethylase 1A, REST corepressor 1, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S})-5-[7,8-dimethyl-2,4-bis(oxidanylidene)-5-[3-[4-(3-phenylphenyl)phenyl]propanoyl]-1~{H}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate | | 著者 | Caroli, J, Mattevi, A. | | 登録日 | 2022-11-15 | | 公開日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | | 主引用文献 | Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
to be published
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