6OPZ
 
 | | HIV-1 Protease NL4-3 I13V, G16E, V32I, L33F, K45I, M46I, I54L, A71V, L76V, V82F, I84V Mutant 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, Protease NL4-3 | | 著者 | Lockbaum, G.J, Henes, M, Kosovrasti, K, Leidner, F, Nachum, G.S, Nalivaika, E.A, Bolon, D.N.A, KurtYilmaz, N, Schiffer, C.A. | | 登録日 | 2019-04-25 | | 公開日 | 2019-09-04 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.201 Å) | | 主引用文献 | Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance.
Acs Chem.Biol., 14, 2019
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6M7L
 | | Complex of OxyA with the X-domain from GPA biosynthesis | | 分子名称: | PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 hydroxylase, Putative non-ribosomal peptide synthetase | | 著者 | Greule, A, Izore, T, Tailhades, J, Peschke, M, Schoppet, M, Ahmed, I, Kulik, A, Adamek, M, Ziemert, N, De Voss, J, Stegmann, E, Cryle, M.J. | | 登録日 | 2018-08-20 | | 公開日 | 2019-05-22 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.648297 Å) | | 主引用文献 | Kistamicin biosynthesis reveals the biosynthetic requirements for production of highly crosslinked glycopeptide antibiotics.
Nat Commun, 10, 2019
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6OCE
 | | Structure of the rice hyperosmolality-gated ion channel OSCA1.2 | | 分子名称: | stress-gated cation channel 1.2 | | 著者 | Maity, K, Heumann, J.M, McGrath, A.P, Chang, G, Stowell, M.H. | | 登録日 | 2019-03-23 | | 公開日 | 2019-07-03 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (4.9 Å) | | 主引用文献 | Cryo-EM structure of OSCA1.2 fromOryza sativaelucidates the mechanical basis of potential membrane hyperosmolality gating.
Proc.Natl.Acad.Sci.USA, 116, 2019
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7M50
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6OQV
 | | E. coli ATP Synthase State 2b | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | | 著者 | Stewart, A.G, Sobti, M, Walshe, J.L. | | 登録日 | 2019-04-29 | | 公開日 | 2020-06-03 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Cryo-EM structures provide insight into how E. coli F1FoATP synthase accommodates symmetry mismatch.
Nat Commun, 11, 2020
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7M2T
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7M74
 | | ATP-bound AMP-activated protein kinase | | 分子名称: | 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-2, 5'-AMP-activated protein kinase subunit gamma-1, ... | | 著者 | Yan, Y, Mukherjee, S, Harikumar, K.G, Strutzenberg, T, Zhou, X.E, Powell, S.K, Xu, T, Sheldon, R, Lamp, J, Brunzelle, J.S, Radziwon, K, Ellis, A, Novick, S.J, Vega, I.E, Jones, R, Miller, L.J, Xu, H.E, Griffin, P.R, Kossiakoff, A.A, Melcher, K. | | 登録日 | 2021-03-26 | | 公開日 | 2021-12-15 | | 最終更新日 | 2021-12-22 | | 実験手法 | ELECTRON MICROSCOPY (3.93 Å) | | 主引用文献 | Structure of an AMPK complex in an inactive, ATP-bound state.
Science, 373, 2021
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7A9A
 | | Crystal structure of rubredoxin B (Rv3250c) from Mycobacterium tuberculosis | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Vakhrameev, D, Kavaleuski, A, Bukhdruker, S, Marin, E, Sushko, T, Grabovec, I.P, Gilep, A, Strushkevich, N, Borshchevskiy, V. | | 登録日 | 2020-09-01 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.17 Å) | | 主引用文献 | A new twist of rubredoxin function in M. tuberculosis.
Bioorg.Chem., 109, 2021
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6M8V
 | | Crystal structure of UbiX-like FMN prenyltransferase MJ0101 from Methanocaldococcus jannaschii, FMN complex | | 分子名称: | FLAVIN MONONUCLEOTIDE, Flavin prenyltransferase UbiX, GLYCEROL, ... | | 著者 | Stogios, P.J, Skarina, T, Khusnutdinova, A, Wawrzak, Z, Yakunin, A.F, Savchenko, A. | | 登録日 | 2018-08-22 | | 公開日 | 2020-02-26 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.221 Å) | | 主引用文献 | Crystal structure of UbiX-like FMN prenyltransferase MJ0101 from Methanocaldococcus jannaschii, FMN complex
To Be Published
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7MLG
 | | Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) Covalently Bound to Compound C63 | | 分子名称: | (2R)-2-[(4-tert-butylphenyl)(ethanesulfonyl)amino]-N-cyclohexyl-2-(pyridin-3-yl)acetamide, 3C-like proteinase | | 著者 | Sharon, I, Stille, J, Tjutrins, J, Wang, G, Venegas, F.A, Hennecker, C, Rueda, A.M, Miron, C.E, Pinus, S, Labarre, A, Patrascu, M.B, Vlaho, D, Huot, M, Mittermaier, A.K, Moitessier, N, Schmeing, T.M. | | 登録日 | 2021-04-28 | | 公開日 | 2021-12-22 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Design, synthesis and in vitro evaluation of novel SARS-CoV-2 3CL pro covalent inhibitors.
Eur.J.Med.Chem., 229, 2021
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8BTW
 | | Structure of D179N BlaC from Mycobacterium tuberculosis in complex with vaborbactam | | 分子名称: | Beta-lactamase, GLYCEROL, PHOSPHATE ION, ... | | 著者 | Chikunova, A, Bruenle, S, Ubbink, M. | | 登録日 | 2022-12-02 | | 公開日 | 2023-07-05 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Asp179 in the class A beta-lactamase from Mycobacterium tuberculosis is a conserved yet not essential residue due to epistasis.
Febs J., 290, 2023
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6OVP
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7MLF
 | | Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) Covalently Bound to Compound C7 | | 分子名称: | 3C-like proteinase, N-(4-tert-butylphenyl)-2-chloro-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]acetamide | | 著者 | Sharon, I, Stille, J, Tjutrins, J, Wang, G, Venegas, F.A, Hennecker, C, Rueda, A.M, Miron, C.E, Pinus, S, Labarre, A, Patrascu, M.B, Vlaho, D, Huot, M, Mittermaier, A.K, Moitessier, N, Schmeing, T.M. | | 登録日 | 2021-04-28 | | 公開日 | 2021-12-22 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Design, synthesis and in vitro evaluation of novel SARS-CoV-2 3CL pro covalent inhibitors.
Eur.J.Med.Chem., 229, 2021
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7AD7
 | | Crystal structure of human complement C5 in complex with the K8 bovine knob domain peptide. | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Macpherson, A, van den Elsen, J.M.H, Schulze, M.E, Birtley, J.R. | | 登録日 | 2020-09-14 | | 公開日 | 2021-03-10 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | The allosteric modulation of Complement C5 by knob domain peptides.
Elife, 10, 2021
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6OVW
 | | Crystal structure of ornithine carbamoyltransferase from Salmonella enterica | | 分子名称: | GLYCEROL, Ornithine carbamoyltransferase, PHOSPHATE ION | | 著者 | Chang, C, Mesa, N, Skarina, T, Savchenko, A, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2019-05-08 | | 公開日 | 2019-05-22 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.903 Å) | | 主引用文献 | Crystal structure of ornithine carbamoyltransferase from Salmonella enterica
To Be Published
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8BI2
 | | Syk kinase domain in complex with macrocyclic inhibitor 20a | | 分子名称: | 10,13,23-trimethyl-16-oxa-2,4,8,9,13,19,23,30-octazapentacyclo[19.5.2.1^{3,7}.1^{8,11}.0^{24,28}]triaconta-1(27),3,5,7(30),9,11(29),21,24(28),25-nonaen-20-one, Tyrosine-protein kinase SYK | | 著者 | Read, J.A, Patel, J. | | 登録日 | 2022-11-01 | | 公開日 | 2023-06-14 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.508 Å) | | 主引用文献 | Optimization of a series of novel, potent and selective Macrocyclic SYK inhibitors.
Bioorg.Med.Chem.Lett., 91, 2023
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6OWD
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7MMB
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8DPA
 | | Crystal structure of the homodimeric AvrM14-B Nudix hydrolase effector from Melampsora lini | | 分子名称: | AvrM14-B, SULFATE ION | | 著者 | McCombe, C.L, Outram, M.A, Ericsson, D.J, Williams, S.J. | | 登録日 | 2022-07-15 | | 公開日 | 2023-01-25 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | A rust-fungus Nudix hydrolase effector decaps mRNA in vitro and interferes with plant immune pathways.
New Phytol., 239, 2023
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6WMA
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7MMC
 | | Crystal structure of HCV NS3/4A D168A protease in complex with NR01-115 | | 分子名称: | (1-methylcyclopropyl)methyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate, 1,2-ETHANEDIOL, NS3 protease, ... | | 著者 | Zephyr, J, Schiffer, C.A. | | 登録日 | 2021-04-29 | | 公開日 | 2022-03-16 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.001 Å) | | 主引用文献 | Deciphering the Molecular Mechanism of HCV Protease Inhibitor Fluorination as a General Approach to Avoid Drug Resistance.
J.Mol.Biol., 434, 2022
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6OEG
 | | Structure of CagX from a cryo-EM reconstruction of a T4SS | | 分子名称: | Type IV secretion system apparatus protein CagX | | 著者 | Chung, J.M, Sheedlo, M.J, Campbell, A, Sawhney, N, Frick-Cheng, A.E, Lacy, D.B, Cover, T.L, Ohi, M.D. | | 登録日 | 2019-03-27 | | 公開日 | 2019-07-03 | | 最終更新日 | 2024-03-13 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | Structure of the Helicobacter pylori Cag type IV secretion system.
Elife, 8, 2019
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6U5E
 | | RT XFEL structure of CypA solved using celloluse carrier media | | 分子名称: | Peptidyl-prolyl cis-trans isomerase A | | 著者 | Wolff, A.M, Nango, E, Nakane, T, Young, I.D, Brewster, A.S, Sugahara, M, Tanaka, R, Sauter, N.K, Tono, K, Iwata, S, Fraser, J.S, Thompson, M.C. | | 登録日 | 2019-08-27 | | 公開日 | 2020-01-29 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | | 主引用文献 | Comparing serial X-ray crystallography and microcrystal electron diffraction (MicroED) as methods for routine structure determination from small macromolecular crystals
Iucrj, 7, 2020
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8DP9
 | | Crystal structure of the monomeric AvrM14-B Nudix hydrolase effector from Melampsora lini | | 分子名称: | AvrM14-B, SULFATE ION | | 著者 | McCombe, C.L, Outram, M.A, Ericsson, D.J, Williams, S.J. | | 登録日 | 2022-07-15 | | 公開日 | 2023-01-25 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | A rust-fungus Nudix hydrolase effector decaps mRNA in vitro and interferes with plant immune pathways.
New Phytol., 239, 2023
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6MD8
 | | Crystal structure of CTX-M-14 with compound 3 | | 分子名称: | 1-(2,4-dichlorophenyl)-4-(1H-tetrazol-5-yl)-1H-pyrazol-5-amine, Beta-lactamase CTX-M-14, DIMETHYL SULFOXIDE | | 著者 | Akhtar, A, Chen, Y. | | 登録日 | 2018-09-04 | | 公開日 | 2019-04-17 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
Acs Infect Dis., 5, 2019
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