5YJL
 
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7RNH
 | | Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-45 | | 分子名称: | 3C-like proteinase, 6-[4-(4-chlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione | | 著者 | Kovalevsky, A, Kneller, D.W, Coates, L. | | 登録日 | 2021-07-29 | | 公開日 | 2021-11-10 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease.
J.Med.Chem., 64, 2021
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6XOZ
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8S9K
 | | Structure of dimeric FAM111A SPD S541A Mutant | | 分子名称: | GLYCEROL, Serine protease FAM111A | | 著者 | Palani, S, Alvey, J.A, Cong, A.T.Q, Schellenberg, M.J, Machida, Y. | | 登録日 | 2023-03-29 | | 公開日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.72 Å) | | 主引用文献 | Dimerization-dependent serine protease activity of FAM111A prevents replication fork stalling at topoisomerase 1 cleavage complexes.
Nat Commun, 15, 2024
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6PBK
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9AV3
 | | Crystal structure of E. coli GuaB dCBS with inhibitor GNE2011 | | 分子名称: | 9-{(1R)-1-[(5P)-5-(4-chloro-1H-imidazol-2-yl)pyridin-3-yl]ethoxy}-1,4-dihydro-2H-pyrano[3,4-c]quinoline, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase | | 著者 | Harris, S.F, Wu, P. | | 登録日 | 2024-03-01 | | 公開日 | 2025-01-15 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Discovery of GuaB inhibitors with efficacy against Acinetobacter baumannii infection.
Mbio, 15, 2024
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6PF7
 | | Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)benzoic acid | | 分子名称: | 2-({4-[(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)benzoic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | | 著者 | Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S. | | 登録日 | 2019-06-21 | | 公開日 | 2019-10-02 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.795 Å) | | 主引用文献 | Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
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4YRC
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5YQ5
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9IR5
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6PFB
 | | Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 3-(2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)phenyl)propanoic acid. | | 分子名称: | 3-[2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)phenyl]propanoic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | | 著者 | Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S. | | 登録日 | 2019-06-21 | | 公開日 | 2019-10-02 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.089 Å) | | 主引用文献 | Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
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8PQ4
 | | Structure of HosA transcriptional regulator from enteropathogenic Escherichia coli O127:H6 (strain E2348/69) | | 分子名称: | 1,2-ETHANEDIOL, Transcriptional regulator HosA | | 著者 | Arpita, G, Kavyashree, M, Kannika, B.R, Madan Kumar, S. | | 登録日 | 2023-07-10 | | 公開日 | 2023-07-19 | | 最終更新日 | 2025-01-29 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Crystal structure of a MarR family transcriptional regulator protein
Biorxiv, 2024
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8XGB
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8S45
 | | CdaA-E05 complex | | 分子名称: | (1~{R},2~{S},3~{S},4~{R},5~{S})-2-azanyl-4-phenylsulfanyl-6,8-dioxabicyclo[3.2.1]octan-3-ol, Diadenylate cyclase | | 著者 | Neumann, P, Ficner, R. | | 登録日 | 2024-02-21 | | 公開日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | CdaA-E05 complex
To Be Published
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8V99
 | | GII.26 Leon 4509 norovirus protruding domain | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Capsid protein VP1, ... | | 著者 | Kher, G, Reese, T, Pancera, M, Hansman, G. | | 登録日 | 2023-12-07 | | 公開日 | 2024-06-19 | | 最終更新日 | 2024-07-31 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Development of a broad-spectrum therapeutic Fc-nanobody for human noroviruses.
J.Virol., 98, 2024
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7T0V
 | | CryoEM structure of the crosslinked Rix7 AAA-ATPase | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Kocaman, S, Stanley, R.E, Lo, Y.H, Krahn, J, Dandey, V.P, Sobhany, M, Petrovich, M, Williams, J.G, Deterding, L.J, Borgnia, M.J, Etigunta, S. | | 登録日 | 2021-11-30 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (3.67 Å) | | 主引用文献 | Communication network within the essential AAA-ATPase Rix7 drives ribosome assembly.
Pnas Nexus, 1, 2022
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7SWL
 | | CryoEM structure of the N-terminal-deleted Rix7 AAA-ATPase | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Kocaman, S, Stanley, R.E, Lo, Y.H, Krahn, J, Dandey, V.P, Sobhany, M, Petrovich, M, Williams, J.G, Deterding, L.J, Borgnia, M.J, Etigunta, S. | | 登録日 | 2021-11-20 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (2.88 Å) | | 主引用文献 | Communication network within the essential AAA-ATPase Rix7 drives ribosome assembly.
Pnas Nexus, 1, 2022
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7T3I
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5YBY
 | | Structure of human Gliomedin | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | 著者 | Liu, H, Lin, Z, Xu, F. | | 登録日 | 2017-09-05 | | 公開日 | 2018-10-03 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.429 Å) | | 主引用文献 | High resolution structure of human gliomedin
To Be Published
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366D
 | | 1.3 A STRUCTURE DETERMINATION OF THE D(CG(5-BRU)ACG)2/6-BROMO-9-AMINO-DACA COMPLEX | | 分子名称: | 6-BROMO-9-AMINO-N-ETHYL(DIAMINOMETHYL)ACRIDINE-4-CARBOXAMIDE, DNA (5'-D(*CP*GP*(BRU)P*AP*CP*G)-3') | | 著者 | Todd, A.K, Adams, A, Thorpe, J.H, Denny, W.A, Cardin, C.J. | | 登録日 | 1997-12-19 | | 公開日 | 1999-04-06 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Major groove binding and 'DNA-induced' fit in the intercalation of a derivative of the mixed topoisomerase I/II poison N-(2-(dimethylamino)ethyl)acridine-4-carboxamide (DACA) into DNA: X-ray structure complexed to d(CG(5-BrU)ACG)2 at 1.3-A resolution.
J.Med.Chem., 42, 1999
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9OJL
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2GKD
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6PDD
 | | Crystal structure of MYST acetyltransferase domain in complex with inhibitor 41 | | 分子名称: | 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-[(propan-2-yl)oxy]benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ... | | 著者 | Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B. | | 登録日 | 2019-06-18 | | 公開日 | 2020-04-01 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents.
J.Med.Chem., 63, 2020
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8S6R
 | | RosC-8.demethyl-8-amino-riboflavin complex | | 分子名称: | 1-deoxy-1-[8-(dimethylamino)-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl]-D-ribitol, GLYCEROL, Phosphoglycerate mutase | | 著者 | Ermler, U, Warkentin, E, Demmer, U, Mack, M. | | 登録日 | 2024-02-28 | | 公開日 | 2025-03-12 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | The Phosphatase RosC from Streptomyces davaonensis is Used for Roseoflavin Biosynthesis and has Evolved to Largely Prevent Dephosphorylation of the Important Cofactor Riboflavin-5'-phosphate.
J.Mol.Biol., 436, 2024
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8R06
 | | CRYSTAL STRUCTURE OF THERMOANAEROBACTERIUM XYLANOLYTICUM GH116 BETA-GLUCOSIDASE WITH A COVALENTLY BOUND CYCLOPHELLITOL AZIRIDINE | | 分子名称: | (1~{R},2~{S},3~{S},4~{S},5~{R},6~{R})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Offen, W.A, Davies, G.J, Breen, I.Z. | | 登録日 | 2023-10-30 | | 公開日 | 2023-11-22 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | CRYSTAL STRUCTURE OF THERMOANAEROBACTERIUM XYLOLYTICUM GH116 BETA-GLUCOSIDASE WITH A COVALENTLY BOUND CYCLOPHELLITOL AZIRIDINE
JACS, 40, 2017
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