9EYU
 
 | | Human PRMT5 in complex with AZ compound 1 | | 分子名称: | (1~{S})-2-[(2-carbamimidamido-1,3-thiazol-5-yl)methyl]-~{N}-[(4-fluorophenyl)methyl]-3-oxidanylidene-1~{H}-isoindole-1-carboxamide, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein WDR77, ... | | 著者 | Debreczeni, J. | | 登録日 | 2024-04-09 | | 公開日 | 2024-08-14 | | 最終更新日 | 2024-09-04 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Discovery and In Vivo Efficacy of AZ-PRMT5i-1, a Novel PRMT5 Inhibitor with High MTA Cooperativity.
J.Med.Chem., 67, 2024
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4PFW
 | | Crystal structure of mannohexaose bound oligopeptide ABC transporter, periplasmic oligopeptide-binding protein (TM1226) from THERMOTOGA MARITIMA at 2.2 A resolution | | 分子名称: | ABC transporter substrate-binding protein, GLYCEROL, MAGNESIUM ION, ... | | 著者 | Lu, X, Ghimire-Rijal, S, Cuneo, M.J. | | 登録日 | 2014-04-30 | | 公開日 | 2014-09-17 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.198 Å) | | 主引用文献 | Duplication of Genes in an ATP-binding Cassette Transport System Increases Dynamic Range While Maintaining Ligand Specificity.
J.Biol.Chem., 289, 2014
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9EOX
 | | SARS-CoV2 major protease in covalent complex with a soluble inhibitor. | | 分子名称: | 3C-like proteinase nsp5, POTASSIUM ION, Soluble inhibitor | | 著者 | Moche, M, Lennerstrand, J, Nyman, T, Strandback, E, Akaberi, D. | | 登録日 | 2024-03-15 | | 公開日 | 2024-09-04 | | 最終更新日 | 2024-09-11 | | 実験手法 | X-RAY DIFFRACTION (2.54 Å) | | 主引用文献 | Identification of novel and potent inhibitors of SARS-CoV-2 main protease from DNA-encoded chemical libraries.
Antimicrob.Agents Chemother., 2024
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9CBE
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9FWG
 | | LSD1/CoREST bound to bomedemstat | | 分子名称: | Bomedemstat FAD adduct, Lysine-specific histone demethylase 1A, REST corepressor 1 | | 著者 | Speranzini, V, Mattevi, A. | | 登録日 | 2024-06-30 | | 公開日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Characterization of structural, biochemical, pharmacokinetic, and pharmacodynamic properties of the LSD1 inhibitor bomedemstat in preclinical models.
Prostate, 84, 2024
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9CUO
 | | Crystal structure of CRBN with compound 3 | | 分子名称: | (3S)-3-(3-methyl-2-oxo-2,3-dihydro-1H-1,3-benzimidazol-1-yl)piperidine-2,6-dione, 1,2-ETHANEDIOL, Protein cereblon, ... | | 著者 | Zheng, X, Ji, N, Campbell, V, Slavin, A, Zhu, X, Chen, D, Rong, H, Enerson, B, Mayo, M, Sharma, K, Browne, C.M, Klaus, C.R, Li, H, Massa, G, McDonald, A.A, Shi, Y, Sintchak, M, Skouras, S, Walther, D.M, Yuan, K, Zhang, Y, Kelleher, J, Guang, L, Luo, X, Mainolfi, N, Weiss, M.M. | | 登録日 | 2024-07-26 | | 公開日 | 2024-08-28 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Discovery of KT-474─a Potent, Selective, and Orally Bioavailable IRAK4 Degrader for the Treatment of Autoimmune Diseases.
J.Med.Chem., 2024
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4P4B
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9G0K
 | | CysG(N-16) in complex with SAH (metal free, cocrystallization in presence of EDTA) from Kitasatospora cystarginea | | 分子名称: | 1,2-ETHANEDIOL, S-ADENOSYL-L-HOMOCYSTEINE, SAM-dependent methyltransferase | | 著者 | Kuttenlochner, W, Beller, P, Kaysser, L, Groll, M. | | 登録日 | 2024-07-08 | | 公開日 | 2024-07-17 | | 最終更新日 | 2024-09-18 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Deciphering the SAM- and metal-dependent mechanism of O-methyltransferases in cystargolide and belactosin biosynthesis: A structure-activity relationship study.
J.Biol.Chem., 300, 2024
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4P4D
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9F5Q
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8WEW
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9BOL
 | | Crystal structure of the complex between VHL, ElonginB, ElonginC, and compound 5 | | 分子名称: | (4R)-1-[(2S)-2-(4-cyclopropyl-1H-1,2,3-triazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | 著者 | Murray, J.M, Wu, H, Fuhrmann, J, Fairbrother, W.J, DiPasquale, A. | | 登録日 | 2024-05-03 | | 公開日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Potency-enhanced peptidomimetic VHL ligands with improved oral bioavailability
To Be Published
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9BKR
 | | Crystal structure of the Human TRIP12 WWE domain (isoform 2) in complex with ATP | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Isoform 2 of E3 ubiquitin-protein ligase TRIP12, UNKNOWN ATOM OR ION | | 著者 | Kimani, S, Dong, A, Li, Y, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | 登録日 | 2024-04-29 | | 公開日 | 2024-07-31 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Crystal structure of the Human TRIP12 WWE domain (isoform 2) in complex with ATP
To be published
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4P1N
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4P1U
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9FT1
 | | Yeast 20S proteasome in complex with epoxyketone inhibitor 13 | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ... | | 著者 | Maurits, E, Huber, E.M, Dekker, P.M, Wang, X, Heinemeyer, W, Florea, B.I, Groll, M, Overkleeft, H.S. | | 登録日 | 2024-06-23 | | 公開日 | 2024-07-10 | | 最終更新日 | 2024-07-17 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structure-based design of peptide epoxyketones selectively targeting the three human immunoproteasome active sites
to be published
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9EYV
 | | Human PRMT5 in complex with AZ compound 12 | | 分子名称: | (1~{S})-~{N}-[(4-fluorophenyl)methyl]-3-oxidanylidene-2-(1~{H}-pyrrolo[3,2-b]pyridin-2-ylmethyl)-1~{H}-isoindole-1-carboxamide, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein WDR77, ... | | 著者 | Debreczeni, J. | | 登録日 | 2024-04-09 | | 公開日 | 2024-08-14 | | 最終更新日 | 2024-09-04 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Discovery and In Vivo Efficacy of AZ-PRMT5i-1, a Novel PRMT5 Inhibitor with High MTA Cooperativity.
J.Med.Chem., 67, 2024
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4P19
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9BFN
 | | Cryo-EM co-structure of AcrB with the CU232 efflux pump inhibitor | | 分子名称: | (2R)-1-(4-aminopiperidin-1-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Multidrug efflux pump subunit AcrB | | 著者 | Su, C.C. | | 登録日 | 2024-04-18 | | 公開日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (2.71 Å) | | 主引用文献 | Bacterial efflux pump modulators prevent bacterial growth in macrophages and under broth conditions that mimic the host environment.
mBio, 14, 2023
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4P0Z
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9BFM
 | | Cryo-EM co-structure of AcrB with the EPM35 efflux pump inhibitor | | 分子名称: | (2S)-1-(3,4-dichlorophenoxy)-3-(4-{[4-(trifluoromethyl)pyrimidin-2-yl]amino}piperidin-1-yl)propan-2-ol, Multidrug efflux pump subunit AcrB | | 著者 | Su, C.C. | | 登録日 | 2024-04-18 | | 公開日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (2.71 Å) | | 主引用文献 | Bacterial efflux pump modulators prevent bacterial growth in macrophages and under broth conditions that mimic the host environment.
mBio, 14, 2023
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4PUS
 | | Crystal Structure of Influenza A Virus Matrix Protein M1 | | 分子名称: | Matrix protein 1 | | 著者 | Safo, M.K, Musayev, F.N, Mosier, P.D, Xie, H, Desai, U.R. | | 登録日 | 2014-03-13 | | 公開日 | 2014-10-22 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystal structures of influenza a virus matrix protein m1: variations on a theme.
Plos One, 9, 2014
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9B7B
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9CII
 | | Crystal structure of Staphylococcal nuclease variant Delta+PHS V23D/L36R at cryogenic temperature | | 分子名称: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | | 著者 | Zhang, Y, Schlessman, J.L, Robinson, A.C, Garcia-Moreno E, B. | | 登録日 | 2024-07-03 | | 公開日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Crystal structure of Staphylococcal nuclease variant Delta+PHS V23D/L36R at cryogenic temperature
To Be Published
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4P1A
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