6W5J
 
 | | 1.85 A resolution structure of Norovirus 3CL protease in complex with inhibitor 7d | | 分子名称: | 2-(3-chlorophenyl)-2-methylpropyl [(2S)-3-cyclohexyl-1-({(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}amino)-1-oxopropan-2-yl]carbamate, 3C-LIKE PROTEASE | | 著者 | Lovell, S, Kashipathy, M.M, Battaile, K.P, Rathnayake, A.D, Kim, Y, Chang, K.O, Groutas, W.C. | | 登録日 | 2020-03-13 | | 公開日 | 2020-09-30 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structure-Guided Optimization of Dipeptidyl Inhibitors of Norovirus 3CL Protease.
J.Med.Chem., 63, 2020
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7OUM
 | | BDM88855 inhibitor bound to the transmembrane domain of AcrB-R971A | | 分子名称: | (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, 1,2-ETHANEDIOL, 3-chloranyl-2-piperazin-1-yl-quinoline, ... | | 著者 | Tam, H.K, Foong, W.E, Pos, K.M. | | 登録日 | 2021-06-12 | | 公開日 | 2021-12-29 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Pyridylpiperazine-based allosteric inhibitors of RND-type multidrug efflux pumps.
Nat Commun, 13, 2022
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6PUE
 | | Structure of human MAIT A-F7 TCR in complex with human MR1-4'D-5-OP-RU | | 分子名称: | 1,4-dideoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-erythro-pentitol, Beta-2-microglobulin, GLYCEROL, ... | | 著者 | Awad, W, Rossjohn, J. | | 登録日 | 2019-07-18 | | 公開日 | 2020-02-19 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | The molecular basis underpinning the potency and specificity of MAIT cell antigens.
Nat.Immunol., 21, 2020
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6NMU
 | | Kick-Off Fab 115 anti-SIRP-alpha antibody in complex with SIRP-alpha Variant 1 | | 分子名称: | Fab 115 anti-SIRP-alpha antibody Variable Heavy Chain, Fab 115 anti-SIRP-alpha antibody Variable Light Chain, Tyrosine-protein phosphatase non-receptor type substrate 1 | | 著者 | Wibowo, A.S, Carter, J.J, Sim, J. | | 登録日 | 2019-01-11 | | 公開日 | 2019-08-07 | | 最終更新日 | 2019-08-14 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Discovery of high affinity, pan-allelic, and pan-mammalian reactive antibodies against the myeloid checkpoint receptor SIRP alpha.
Mabs, 11, 2019
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6W5O
 | | Class D beta-lactamase BAT-2 delta mutant | | 分子名称: | 1,2-ETHANEDIOL, BAT-2 Beta-lactamase delta mutant, CITRATE ANION | | 著者 | Smith, C.A, Vakulenko, S.B, Stewart, N.K, Toth, M. | | 登録日 | 2020-03-13 | | 公開日 | 2020-06-24 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | A surface loop modulates activity of the Bacillus class D beta-lactamases.
J.Struct.Biol., 211, 2020
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6PUQ
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6W6Z
 | | BlsA ground state | | 分子名称: | BLUF domain-containing protein, FLAVIN MONONUCLEOTIDE | | 著者 | Chitrakar, I, French, J.B. | | 登録日 | 2020-03-18 | | 公開日 | 2020-10-07 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | | 主引用文献 | Structural Basis for the Regulation of Biofilm Formation and Iron Uptake in A. baumannii by the Blue-Light-Using Photoreceptor, BlsA.
Acs Infect Dis., 6, 2020
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8E6E
 | | Crystal structure of MERS 3CL protease in complex with a phenyl sulfane inhibitor | | 分子名称: | (1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-[(N-{[2-(phenylsulfanyl)ethoxy]carbonyl}-L-leucyl)amino]propane-1-sulfonic acid, 2-phenylsulfanylethyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate, Orf1a protein | | 著者 | Liu, L, Lovell, S, Battaile, K.P, Madden, T.K, Groutas, W.C. | | 登録日 | 2022-08-22 | | 公開日 | 2022-09-07 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV).
Eur.J.Med.Chem., 254, 2023
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6Q7K
 | | ERK2 mini-fragment binding | | 分子名称: | 1H-imidazol-2-amine, Mitogen-activated protein kinase 1, SULFATE ION | | 著者 | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | | 登録日 | 2018-12-13 | | 公開日 | 2019-03-27 | | 最終更新日 | 2019-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
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6W72
 | | BlsA photo-activated state | | 分子名称: | BLUF domain-containing protein, FLAVIN MONONUCLEOTIDE | | 著者 | Chitrakar, I, French, J.B. | | 登録日 | 2020-03-18 | | 公開日 | 2020-10-07 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Structural Basis for the Regulation of Biofilm Formation and Iron Uptake in A. baumannii by the Blue-Light-Using Photoreceptor, BlsA.
Acs Infect Dis., 6, 2020
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6BY0
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6Q7U
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6CAM
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6NOL
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6W82
 | | K2P2.1 (TREK-1), 50 mM K+ | | 分子名称: | CADMIUM ION, DECANE, DODECANE, ... | | 著者 | Lolicato, M, Minor, D.L. | | 登録日 | 2020-03-20 | | 公開日 | 2021-01-27 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.6 Å) | | 主引用文献 | K 2P channel C-type gating involves asymmetric selectivity filter order-disorder transitions.
Sci Adv, 6, 2020
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6NF7
 | | Crystal Structure of RT1.Aa-Bu31-10 | | 分子名称: | Beta-2-microglobulin, Bu31-10 peptide, RT1A.a | | 著者 | Gras, S. | | 登録日 | 2018-12-19 | | 公開日 | 2019-12-25 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Cross-Reactive Donor-Specific CD8+Tregs Efficiently Prevent Transplant Rejection.
Cell Rep, 29, 2019
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6W86
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8DRX
 | | Product structure of SARS-CoV-2 Mpro C145A mutant in complex with nsp10-nsp11 (C10) cut site sequence (form 2) | | 分子名称: | Fusion protein of 3C-like proteinase nsp5 and nsp10-nsp11 (C10) cut site, SODIUM ION | | 著者 | Lee, J, Kenward, C, Worrall, L.J, Vuckovic, M, Paetzel, M, Strynadka, N.C.J. | | 登録日 | 2022-07-21 | | 公開日 | 2022-09-21 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | X-ray crystallographic characterization of the SARS-CoV-2 main protease polyprotein cleavage sites essential for viral processing and maturation.
Nat Commun, 13, 2022
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6PVC
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8DRS
 | | Product structure of SARS-CoV-2 Mpro C145A mutant in complex with nsp6-nsp7 (C6) cut site sequence | | 分子名称: | 3C-like proteinase nsp5 | | 著者 | Lee, J, Kenward, C, Worrall, L.J, Vuckovic, M, Paetzel, M, Strynadka, N.C.J. | | 登録日 | 2022-07-21 | | 公開日 | 2022-09-21 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | X-ray crystallographic characterization of the SARS-CoV-2 main protease polyprotein cleavage sites essential for viral processing and maturation.
Nat Commun, 13, 2022
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8R3D
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6NFG
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6C7D
 | | Crystal structure of human phosphodiesterase 2A with N-(1-adamantyl)-1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide | | 分子名称: | 1-(2-chlorophenyl)-4-methyl-N-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl][1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide, MAGNESIUM ION, ZINC ION, ... | | 著者 | Xu, R, Aertgeerts, K. | | 登録日 | 2018-01-22 | | 公開日 | 2018-08-15 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Mathematical and Structural Characterization of Strong Nonadditive Structure-Activity Relationship Caused by Protein Conformational Changes.
J. Med. Chem., 61, 2018
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6BPC
 | | Plasmodium vivax reticulocyte binding protein 2b (PvRBP2b) bound to monoclonal antibody 4F7 | | 分子名称: | Monoclonal antibody 4F7 Fab heavy chain, Monoclonal antibody 4F7 Fab light chain, Reticulocyte binding protein 2, ... | | 著者 | Gruszczyk, J, Chan, L.J, Tham, W.H. | | 登録日 | 2017-11-22 | | 公開日 | 2018-06-20 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.66 Å) | | 主引用文献 | Cryo-EM structure of an essential Plasmodium vivax invasion complex.
Nature, 559, 2018
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6C7T
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