8WTK
 
 | | Crystal structure of Cas3-DExD+MG | | 分子名称: | CRISPR-associated helicase Cas3, MAGNESIUM ION | | 著者 | Mo, X. | | 登録日 | 2023-10-18 | | 公開日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (3.08 Å) | | 主引用文献 | Structural insight into dynamic characteristic of the polymerized forms of kinetoplastid membrane protein-11
To be published
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8XDY
 | | O-methyltransferase from Lycoris longituba M52A variant complexed with Mg, SAH, and 3,4-dihydroxybenzaldehyde | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, MAGNESIUM ION, ... | | 著者 | Saw, Y.Y.H, Nakashima, Y, Morita, H. | | 登録日 | 2023-12-11 | | 公開日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure-Based Catalytic Mechanism of Amaryllidaceae O-Methyltransferases
Acs Catalysis, 2024
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8VJK
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9B9N
 | | Crystal structure of FlcD from Pseudomonas aeruginosa bound to iron (II) and substrate | | 分子名称: | (2R)-2-{[(2Z)-2-(hydroxyimino)ethyl]sulfanyl}butanedioic acid, FE (III) ION, Pyrroloquinoline quinone (Coenzyme PQQ) biosynthesis protein C | | 著者 | Walker, M.E, Grove, T.L, Li, B, Redinbo, M.R. | | 登録日 | 2024-04-02 | | 公開日 | 2024-07-31 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Structural Basis for Methine Excision by a Heme Oxygenase-like Enzyme
Acs Cent.Sci., 2024
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8Y0G
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8XGK
 | | Optimization Efforts for Identification of Novel Highly Potent Keap1-Nrf2 Protein-Protein Interaction Ihhibitors | | 分子名称: | (2~{R},3~{S})-3-[[(2~{S})-2-(4-chlorophenyl)-2-fluoranyl-ethanoyl]amino]-3-[3-(2-cyano-2-methyl-propoxy)-4-methyl-phenyl]-2-methyl-propanoic acid, ACETATE ION, Kelch-like ECH-associated protein 1, ... | | 著者 | Otake, K, Hara, Y, Ubukata, M, Inoue, M, Nagahashi, N, Motoda, D, Ogawa, N, Hantani, Y, Hantani, R, Adachi, T, Nomura, A, Yamaguchi, K, Maekawa, M, Mamada, H, Motomura, T, Sato, M, Harada, K. | | 登録日 | 2023-12-15 | | 公開日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | | 主引用文献 | Optimization Efforts for Identification of Novel Highly Potent Keap1-Nrf2 Protein-Protein Interaction Inhibitors.
J.Med.Chem., 67, 2024
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8XCZ
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9B5F
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8VTO
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8YQJ
 | | Crystal structure of HylD1 | | 分子名称: | Lipase | | 著者 | Wang, N, Li, C.Y. | | 登録日 | 2024-03-19 | | 公開日 | 2024-07-31 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Molecular insights into the catalytic mechanism of a phthalate ester hydrolase.
J Hazard Mater, 476, 2024
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8VDK
 | | Crystal Structure of LPXTG-motif Cell Wall Anchor Domain Protein MSCRAMM_SdrD from Staphylococcus aureus | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ... | | 著者 | Kim, Y, Tan, A, Endres, M, Joachimiak, A, Center for Structural Biology of Infectious Diseases (CSBID) | | 登録日 | 2023-12-15 | | 公開日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal Structure of LPXTG-motif Cell Wall Anchor Domain Protein MSCRAMM_SdrD from Staphylococcus aureus
To Be Published
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8YP3
 | | Crystal structure of UDP-N-acetylglucosamine pyrophosphorylase from Spodoptera frugiperda in complex with UDP-GlcNAc | | 分子名称: | MAGNESIUM ION, SULFATE ION, UDP-N-acetylglucosamine diphosphorylase, ... | | 著者 | Lu, Q, Liu, T, Zhou, Y, Yang, Q. | | 登録日 | 2024-03-15 | | 公開日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | Structure and Inhibition of Insect UDP- N -acetylglucosamine Pyrophosphorylase: A Key Enzyme in the Hexosamine Biosynthesis Pathway.
J.Agric.Food Chem., 2024
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8X9H
 | | Crystal structure of CO dehydrogenase mutant (F41C) | | 分子名称: | Carbon monoxide dehydrogenase 2, FE (III) ION, FE(4)-NI(1)-S(4) CLUSTER, ... | | 著者 | Lee, H.H, Heo, Y, Yoon, H.J, Kim, S.M, Kong, S.Y. | | 登録日 | 2023-11-30 | | 公開日 | 2024-04-17 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Identifying a key spot for electron mediator-interaction to tailor CO dehydrogenase's affinity.
Nat Commun, 15, 2024
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8VDW
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9AT0
 | | Crystal structure of SARS-CoV-2 3CL protease in complex with a methylcyclohexyl 2-pyrrolidone inhibitor (S-enantiomer) | | 分子名称: | (1R,2S)-2-{[N-({[(2S)-1-(cyclohexylmethyl)-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-(cyclohexylmethyl)-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 (1.85 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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8Y7O
 | | FluPol-NS2 complex (hexamer) | | 分子名称: | Nuclear export protein, Polymerase acidic protein, Polymerase basic protein 2, ... | | 著者 | Peng, Q, Sun, J.Q. | | 登録日 | 2024-02-04 | | 公開日 | 2024-07-24 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | NS2 stabilizes polymerase hexamer to regulate transcription-replication switch of influenza A virus
To Be Published
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8WQO
 | | Crystal structure of BRD4-BD1 bound with DI106 | | 分子名称: | (3~{R})-6-[[4-(3,5-dimethyl-1~{H}-pyrazol-4-yl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3~{H}-quinoxalin-2-one, Isoform C of Bromodomain-containing protein 4 | | 著者 | Cao, D, Xiong, B. | | 登録日 | 2023-10-12 | | 公開日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | | 主引用文献 | Rational design and evaluation of BET-Aurora A dual-inhibitors for treatment of cancers
To Be Published
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8VIG
 | | EgtB-IV from Geminocystis sp. isolate SKYG4, an ergothioneine-biosynthetic type IV sulfoxide synthase in complex with hercynine | | 分子名称: | 1,2-ETHANEDIOL, FE (III) ION, N,N,N-trimethyl-histidine, ... | | 著者 | Ireland, K.A, Davis, K.M. | | 登録日 | 2024-01-04 | | 公開日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structural insights into the convergent evolution of type IV sulfoxide synthase EgtB, an ergothioneine-biosynthetic homolog of ovothiol synthase OvoA
Structure, 2024
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9BAP
 | | CryoEM structure of Apo-DIM2 | | 分子名称: | DNA (cytosine-5-)-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION | | 著者 | Song, J, Shao, Z. | | 登録日 | 2024-04-04 | | 公開日 | 2024-07-24 | | 実験手法 | ELECTRON MICROSCOPY (2.88 Å) | | 主引用文献 | CryoEM structure of Apo-DIM2
To Be Published
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9B5I
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9AT4
 | | Crystal structure of SARS-CoV-2 3CL protease in complex with a methylbicyclo[2.2.1]heptane 2-pyrrolidone inhibitor | | 分子名称: | (1R,2S)-2-{[N-({[(2S)-1-{[(1S,2S,4R)-bicyclo[2.2.1]heptan-2-yl]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-{[(1S,2S,4R)-bicyclo[2.2.1]heptan-2-yl]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 (1.35 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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8W6T
 | | NaS1 in IN/OUT state | | 分子名称: | Solute carrier family 13 member 1 | | 著者 | Chi, X, Chen, Y, Li, Y, Zhang, Y, Shen, Y, Chen, Y, Wang, Z, Yan, R. | | 登録日 | 2023-08-29 | | 公開日 | 2024-04-17 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Cryo-EM structures of the human NaS1 and NaDC1 transporters revealed the elevator transport and allosteric regulation mechanism.
Sci Adv, 10, 2024
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8VTL
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9BQ2
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8XFL
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