8VEW
 
 | | Crystal structure of PRMT5:MEP50 in complex with MTA and oxamide compound 24 | | 分子名称: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, 5-{2-[(2R,5S)-5-methyl-2-phenylpiperidin-1-yl](oxo)acetamido}pyridine-3-carboxamide, CHLORIDE ION, ... | | 著者 | Whittington, D.A. | | 登録日 | 2023-12-20 | | 公開日 | 2024-04-24 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | | 主引用文献 | Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP -Deleted Cancers.
J.Med.Chem., 67, 2024
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8XCX
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8XHR
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9CTX
 | | X-ray crystal structure of multi-drug resistant HIV-1 protease (P51) in complex with Darunavir | | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, GLYCEROL, Protease | | 著者 | Hayashi, H, Yedidi, R, Bulut, H, Das, D, Mitsuya, H. | | 登録日 | 2024-07-25 | | 公開日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Secondary amino-acid substitutions contribute to the emergence of HIV protease inhibitor resistance as directly as primary amino-acid substitutions.
To Be Published
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8VR5
 | | crystal structure of the Pcryo_0618 aminotransferase from Psychrobacter cryohalolentis K5 in the presence of PMP and glutamate | | 分子名称: | 1,2-ETHANEDIOL, 2,2'-(1,4-diazepane-1,4-diyl)di(ethane-1-sulfonic acid), 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, ... | | 著者 | Bockhaus, N.J, Thoden, J.B, Holden, H.M. | | 登録日 | 2024-01-20 | | 公開日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Biochemical Investigation of the Enzymes Required for the Production of 2,3,4-triacetoamido-2,3,4-trideoxy-l-arabinose in Psychrobacter cryohalolentis K5
To Be Published
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9EMJ
 | | SARS-CoV-2 methyltransferase nsp10-16 in complex with Toyocamycin and m7GpppA (Cap0-analog) | | 分子名称: | 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, 4-amino-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, ... | | 著者 | Kremling, V, Sprenger, J, Oberthuer, D, Kiene, A. | | 登録日 | 2024-03-08 | | 公開日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | SARS-CoV-2 methyltransferase nsp10-16 in complex with natural and drug-like purine analogs for guiding structure-based drug development
To Be Published
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8W2D
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8XCK
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8XVD
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9BTS
 | | Crystal structure of the bacterioferritin (Bfr) and ferritin (Ftn) heterooligomer complex from Acinetobacter baumannii | | 分子名称: | Bacterioferritin (Bfr), Ferritin (Ftn), PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Lovell, S, Liu, L, Battaile, K.P, Rivera, M. | | 登録日 | 2024-05-15 | | 公開日 | 2024-08-14 | | 最終更新日 | 2024-08-21 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | The crystal structure of Acinetobacter baumannii bacterioferritin reveals a heteropolymer of bacterioferritin and ferritin subunits.
Sci Rep, 14, 2024
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8VEO
 | | Crystal structure of PRMT5:MEP50 in complex with MTA | | 分子名称: | 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Whittington, D.A. | | 登録日 | 2023-12-20 | | 公開日 | 2024-04-24 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP -Deleted Cancers.
J.Med.Chem., 67, 2024
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8X2A
 | | The Crystal Structure of BMX from Biortus. | | 分子名称: | 1,2-ETHANEDIOL, 4-[(3S)-3-{[(2E)-but-2-enoyl]amino}piperidin-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide, CHLORIDE ION, ... | | 著者 | Wang, F, Cheng, W, Yuan, Z, Lin, D, Pan, W. | | 登録日 | 2023-11-09 | | 公開日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | The Crystal Structure of BMX from Biortus.
To Be Published
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9IYK
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9F9M
 | | Crystal structure of MUS81-EME1 bound by compound 21. | | 分子名称: | 5-oxidanyl-4-oxidanylidene-1-(4-piperazin-1-ylphenyl)pyridine-3-carboxylic acid, Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81, ... | | 著者 | Collie, G.W. | | 登録日 | 2024-05-08 | | 公開日 | 2024-06-19 | | 最終更新日 | 2024-07-31 | | 実験手法 | X-RAY DIFFRACTION (2.469 Å) | | 主引用文献 | Fragment-Based Discovery of Novel MUS81 Inhibitors.
Acs Med.Chem.Lett., 15, 2024
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9EUR
 | | Mpro WT from SARS-CoV-2 with 298Q mutation | | 分子名称: | Replicase polyprotein 1a | | 著者 | Plewka, J, Lis, K, Czarna, A, Pyrc, K, Kantyka, T, Chykunova, Y. | | 登録日 | 2024-03-28 | | 公開日 | 2024-04-17 | | 最終更新日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (2.113 Å) | | 主引用文献 | SARS-CoV-2 M pro oligomerization as a potential target for therapy.
Int.J.Biol.Macromol., 267, 2024
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8VFR
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9AT5
 | | Crystal structure of SARS-CoV-2 3CL protease in complex with a 1-methyl-4,4-difluorocyclohexyl 2-pyrrolidone inhibitor | | 分子名称: | (1R,2S)-2-({N-[({(2S)-1-[(4,4-difluorocyclohexyl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[({(2S)-1-[(4,4-difluorocyclohexyl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, ... | | 著者 | Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | | 登録日 | 2024-02-26 | | 公開日 | 2024-07-10 | | 最終更新日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies.
J.Med.Chem., 67, 2024
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8YFM
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9AXA
 | | CryoEM structure of activated CRAF/MEK/14-3-3 complex with NST-628 | | 分子名称: | 14-3-3 protein sigma, Dual specificity mitogen-activated protein kinase kinase 1, GST26/CRAF chimera, ... | | 著者 | Quade, B, Cohen, S.E, Huang, X. | | 登録日 | 2024-03-06 | | 公開日 | 2024-04-17 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (4.36 Å) | | 主引用文献 | The Pan-RAF-MEK Nondegrading Molecular Glue NST-628 Is a Potent and Brain-Penetrant Inhibitor of the RAS-MAPK Pathway with Activity across Diverse RAS- and RAF-Driven Cancers.
Cancer Discov, 14, 2024
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8WIY
 | | cryo-EM structure of alligator haemoglobin in oxy form | | 分子名称: | Hemoglobin subunit alpha, Hemoglobin subunit beta, OXYGEN MOLECULE, ... | | 著者 | Takahashi, K, Lee, Y, Fago, A, Bautista, N.M, Kawamoto, A, Kurisu, G, Storz, J, Nishizawa, T, Tame, J.R.H. | | 登録日 | 2023-09-25 | | 公開日 | 2024-08-14 | | 実験手法 | ELECTRON MICROSCOPY (2.31 Å) | | 主引用文献 | The unique allosteric property of crocodilian haemoglobin elucidated by cryo-EM.
Nat Commun, 15, 2024
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8WOI
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8YA1
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9F43
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9AVT
 | | Structure of TAB2 NZF domain bound to K6 / Lys6-linked diubiquitin | | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, SULFATE ION, TGF-beta-activated kinase 1 and MAP3K7-binding protein 2, ... | | 著者 | Michel, M.A, Scutts, S, Komander, D. | | 登録日 | 2024-03-04 | | 公開日 | 2024-07-31 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structure of TAB2 NZF domain bound to K6 / Lys6-linked diubiquitin
To be published
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8YFN
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