7K0G
 
 | | 1.85 A resolution structure of SARS-CoV 3CL protease in complex with deuterated GC376 | | 分子名称: | (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, Replicase polyprotein 1a | | 著者 | Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Nguyen, H.N, Kim, Y, Chang, K.O, Groutas, W.C. | | 登録日 | 2020-09-04 | | 公開日 | 2021-07-07 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Postinfection treatment with a protease inhibitor increases survival of mice with a fatal SARS-CoV-2 infection.
Proc.Natl.Acad.Sci.USA, 118, 2021
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6GCR
 | | Focal Adhesion Kinase catalytic domain in complex with irreversible inhibitor | | 分子名称: | 2-[[2-[[4-[[[3,4-bis(oxidanylidene)-2-[2-(propanoylamino)ethylamino]cyclobuten-1-yl]amino]methyl]phenyl]amino]-5-chloranyl-pyrimidin-4-yl]amino]-~{N}-methyl-benzamide, Focal adhesion kinase 1 | | 著者 | Yen-Pon, E, Li, B, Acebron-Garcia de Eulate, M, Tomkiewicz-Raulet, C, Dawson, J, Lietha, D, Frame, M.C, Coumoul, X, Garbay, C, Etheve-Quelquejeu, M, Chen, H. | | 登録日 | 2018-04-19 | | 公開日 | 2019-05-01 | | 最終更新日 | 2019-10-02 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure-Based Design, Synthesis, and Characterization of the First Irreversible Inhibitor of Focal Adhesion Kinase.
Acs Chem.Biol., 13, 2018
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6BJA
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8TSZ
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8TSY
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7RAY
 | | Crystal structure of MBD2 with DNA | | 分子名称: | DNA (5'-D(*GP*CP*CP*AP*A)-R(P*(5MC))-D(P*GP*TP*TP*GP*GP*C)-3'), Methyl-CpG-binding domain protein 2, UNKNOWN ATOM OR ION | | 著者 | Liu, K, Dong, A, Loppnau, P, Edwards, A.M, Arrowsmith, C.H, Min, J, Structural Genomics Consortium (SGC) | | 登録日 | 2021-07-05 | | 公開日 | 2021-07-21 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Crystal structure of MBD2 with DNA
To Be Published
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6QNK
 | | Antibody FAB fragment targeting Gi protein heterotrimer | | 分子名称: | 1,2-ETHANEDIOL, D-MALATE, FAB heavy chain, ... | | 著者 | Tsai, C.-J, Muehle, J, Pamula, F, Dawson, R.J.P, Maeda, S, Deupi, X, Schertler, G.F.X. | | 登録日 | 2019-02-11 | | 公開日 | 2019-07-10 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Cryo-EM structure of the rhodopsin-G alpha i-beta gamma complex reveals binding of the rhodopsin C-terminal tail to the G beta subunit.
Elife, 8, 2019
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6BGT
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7K0E
 | | 1.90 A resolution structure of SARS-CoV-2 3CL protease in complex with deuterated GC376 | | 分子名称: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, TETRAETHYLENE GLYCOL | | 著者 | Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Nguyen, H.N, Kim, Y, Chang, K.O, Groutas, W.C. | | 登録日 | 2020-09-04 | | 公開日 | 2021-07-07 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Postinfection treatment with a protease inhibitor increases survival of mice with a fatal SARS-CoV-2 infection.
Proc.Natl.Acad.Sci.USA, 118, 2021
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5VMN
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7REC
 | | Structure of Thr354Asn, Glu355Gln, Thr412Asn, Ile414Met, Ile464His, and Phe467Met mutant human CaMKII alpha hub bound to 5-HDC | | 分子名称: | 5-hydroxydiclofenac, Calcium/calmodulin-dependent protein kinase type II subunit alpha, SODIUM ION | | 著者 | McSpadden, E.D, Chi, C.C, Gee, C.L, Kuriyan, J. | | 登録日 | 2021-07-12 | | 公開日 | 2021-07-21 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | GHB analogs confer neuroprotection through specific interaction with the CaMKII alpha hub domain.
Proc.Natl.Acad.Sci.USA, 118, 2021
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8TT4
 | | Pseudomonas fluorescens isocyanide hydratase pH=6.0 | | 分子名称: | 1,2-ETHANEDIOL, Isonitrile hydratase InhA | | 著者 | Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C. | | 登録日 | 2023-08-12 | | 公開日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Changes in an Enzyme Ensemble During Catalysis Observed by High Resolution XFEL Crystallography.
Biorxiv, 2023
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8BI8
 | | Structure of a cyclic beta-hairpin peptide derived from neuronal nitric oxide synthase | | 分子名称: | Nitric oxide synthase, brain | | 著者 | Balboa, J.R, Ostergaard, S, Stromgaard, K, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | 登録日 | 2022-11-01 | | 公開日 | 2022-12-21 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | Development of a Potent Cyclic Peptide Inhibitor of the nNOS/PSD-95 Interaction.
J.Med.Chem., 66, 2023
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7K0H
 | | 1.70 A resolution structure of SARS-CoV 3CL protease in complex with a deuterated GC376 alpha-ketoamide analog (compound 5) | | 分子名称: | CHLORIDE ION, N-{(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-N~2~-[(benzyloxy)carbonyl]-L-leucinamide, Replicase polyprotein 1a, ... | | 著者 | Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Nguyen, H.N, Kim, Y, Chang, K.O, Groutas, W.C. | | 登録日 | 2020-09-04 | | 公開日 | 2021-07-07 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Postinfection treatment with a protease inhibitor increases survival of mice with a fatal SARS-CoV-2 infection.
Proc.Natl.Acad.Sci.USA, 118, 2021
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8SZU
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6HL2
 | | wild-type NuoEF from Aquifex aeolicus - oxidized form | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ... | | 著者 | Gerhardt, S, Friedrich, T, Einsle, O, Gnandt, E, Schulte, M, Fiegen, D. | | 登録日 | 2018-09-10 | | 公開日 | 2019-06-26 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I.
Nat Commun, 10, 2019
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6GDT
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6BHK
 | | Phosphotriesterase variant R18deltaL7 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, Phosphotriesterase, ZINC ION | | 著者 | Miton, C.M, Campbell, E.C, Jackson, C.J, Tokuriki, N. | | 登録日 | 2017-10-30 | | 公開日 | 2019-01-23 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Phosphotriesterase variant R18deltaL7
To Be Published
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8BW4
 | | PanDDA analysis -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative | | 分子名称: | (2R)-4-(3-fluoranylthiophen-2-yl)carbonyl-N-(4-methoxyphenyl)-2-methyl-piperazine-1-carboxamide, PH-interacting protein | | 著者 | Grosjean, H, Aimon, A, Hassell-Hart, S, Bradshaw, W.J, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F. | | 登録日 | 2022-12-06 | | 公開日 | 2022-12-21 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | PanDDA analysis -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative
To Be Published
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6QY8
 | | Human CSNK2A2 bound to ERB-041 | | 分子名称: | 2-(3-FLUORO-4-HYDROXYPHENYL)-7-VINYL-1,3-BENZOXAZOL-5-OL, Casein kinase II subunit alpha' | | 著者 | Abdul Azeez, K.R, Sorrell, F.J, Krojer, T, Bountra, C, Edwards, A.M, Arrowsmith, C, Knapp, S, Elkins, J.M. | | 登録日 | 2019-03-08 | | 公開日 | 2020-03-25 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | CSNK2A1 bound to ERB-041
To Be Published
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6QO2
 | | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 1 (1H-Indole-5-carboxamide) | | 分子名称: | 1~{H}-indole-5-carboxamide, tRNA (guanine-N(1)-)-methyltransferase | | 著者 | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | | 登録日 | 2019-02-12 | | 公開日 | 2020-03-04 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
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7R6W
 | | SARS-CoV-2 spike receptor-binding domain (RBD) in complex with S2X35 Fab and S309 Fab | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ... | | 著者 | Snell, G, Czudnochowski, N, Hernandez, P, Nix, J.C, Croll, T.I, Corti, D, Cameroni, E, Pinto, D, Beltramello, M. | | 登録日 | 2021-06-23 | | 公開日 | 2021-07-21 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | SARS-CoV-2 RBD antibodies that maximize breadth and resistance to escape.
Nature, 597, 2021
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5FKG
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8BFI
 | | human CNOT1-CNOT10-CNOT11 module | | 分子名称: | CCR4-NOT transcription complex subunit 1, CCR4-NOT transcription complex subunit 10, CCR4-NOT transcription complex subunit 11 | | 著者 | Basquin, J, Ozgur, S, Conti, E. | | 登録日 | 2022-10-26 | | 公開日 | 2022-12-28 | | 最終更新日 | 2023-02-15 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | The human CNOT1-CNOT10-CNOT11 complex forms a structural platform for protein-protein interactions.
Cell Rep, 42, 2023
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6BKK
 | | Influenza A M2 transmembrane domain bound to amantadine | | 分子名称: | (3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-amine, CHLORIDE ION, Matrix protein 2 | | 著者 | Thomaston, J.L, DeGrado, W.F. | | 登録日 | 2017-11-08 | | 公開日 | 2018-09-19 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.995 Å) | | 主引用文献 | Inhibitors of the M2 Proton Channel Engage and Disrupt Transmembrane Networks of Hydrogen-Bonded Waters.
J. Am. Chem. Soc., 140, 2018
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