8K0B
 
 | | Cryo-EM structure of TMEM63C | | Descriptor: | Calcium permeable stress-gated cation channel 1 | | Authors: | Qin, Y, Yu, D, Dong, J, Dang, S. | | Deposit date: | 2023-07-08 | | Release date: | 2023-12-06 | | Method: | ELECTRON MICROSCOPY (3.56 Å) | | Cite: | Cryo-EM structure of TMEM63C suggests it functions as a monomer.
Nat Commun, 14, 2023
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6I48
 | | Structure of P. aeruginosa LpxC with compound 12: (2R)-4-(6-(2-Fluoro-4-methoxyphenyl)-3-oxo-1H-pyrrolo[1,2-c]imidazol-2(3H)-yl)-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide | | Descriptor: | (2~{R})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{H}-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide, 1,2-ETHANEDIOL, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... | | Authors: | Surivet, J.-P, Panchaud, P, Specklin, J.-L, Diethelm, S, Blumstein, A.-C, Gauvin, J.-C, Jacob, L, Masse, F, Mathieu, G, Mirre, A, Schmitt, C, Enderlin-Paput, M, Lange, R, Bur, D, Tidten-Luksch, N, Gnerre, C, Seeland, S, Hermann, C, Locher, H.H, Seiler, P, Mac Sweeney, A, Hubschwerlen, C, Ritz, D, Rueedi, G. | | Deposit date: | 2018-11-09 | | Release date: | 2019-12-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.196 Å) | | Cite: | Discovery of Novel Inhibitors of LpxC Displaying Potent in Vitro Activity against Gram-Negative Bacteria.
J.Med.Chem., 63, 2020
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7M30
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1TL9
 | | High resolution crystal structure of calpain I protease core in complex with leupeptin | | Descriptor: | CALCIUM ION, Calpain 1, large [catalytic] subunit, ... | | Authors: | Moldoveanu, T, Campbell, R.L, Cuerrier, D, Davies, P.L. | | Deposit date: | 2004-06-09 | | Release date: | 2004-11-02 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structures of Calpain-E64 and -Leupeptin Inhibitor Complexes Reveal Mobile Loops Gating the Active Site
J.Mol.Biol., 343, 2004
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4DFF
 | | The SAR development of dihydroimidazoisoquinoline derivatives as phosphodiesterase 10A inhibitors for the treatment of schizophrenia | | Descriptor: | 8,9-dimethoxy-1-(1,3-thiazol-5-yl)-5,6-dihydroimidazo[5,1-a]isoquinoline, MAGNESIUM ION, ZINC ION, ... | | Authors: | Ho, G.D, Seganish, W.M, Bercovici, A, Tulshian, D, Greenlee, W.J, Van Rijn, R, Hruza, A, Xiao, L, Rindgen, D, Mullins, D, Guzzi, M, Zhang, X, Bleichardt, C, Hodgson, R. | | Deposit date: | 2012-01-23 | | Release date: | 2012-03-14 | | Last modified: | 2012-04-04 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | The SAR development of dihydroimidazoisoquinoline derivatives as phosphodiesterase 10A inhibitors for the treatment of schizophrenia.
Bioorg.Med.Chem.Lett., 22, 2012
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7R3U
 | | Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor | | Descriptor: | 1-[4-(1,2,3-thiadiazol-4-yl)phenyl]methanamine, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Snee, M, Katariya, M, Leys, D, Levy, C. | | Deposit date: | 2022-02-07 | | Release date: | 2023-02-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
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8OF3
 | | Structure of the apoform of ALDEHYDE DEHYDROGENASE 5F1 (ALDH5F1) from the moss Physcomitrium patens | | Descriptor: | 1,2-ETHANEDIOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, PENTAETHYLENE GLYCOL, ... | | Authors: | Morera, S, Kopecny, D, Vigouroux, A. | | Deposit date: | 2023-03-13 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.348 Å) | | Cite: | A study on abiotic stress responses of aldehyde dehydrogenase (ALDH) superfamilies in moss and barley focused on members linked to the GABA shunt pathway
To Be Published
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8OFM
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6I47
 | | Structure of P. aeruginosa LpxC with compound 10: (2RS)-4-(5-(2-Fluoro-4-methoxyphenyl)-1-oxoisoindolin-2-yl)-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide | | Descriptor: | (2~{R})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{H}-isoindol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide, (2~{S})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{H}-isoindol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... | | Authors: | Surivet, J.-P, Panchaud, P, Specklin, J.-L, Diethelm, S, Blumstein, A.-C, Gauvin, J.-C, Jacob, L, Masse, F, Mathieu, G, Mirre, A, Schmitt, C, Enderlin-Paput, M, Lange, R, Bur, D, Tidten-Luksch, N, Gnerre, C, Seeland, S, Hermann, C, Locher, H.H, Seiler, P, Mac Sweeney, A, Hubschwerlen, C, Ritz, D, Rueedi, G. | | Deposit date: | 2018-11-09 | | Release date: | 2019-12-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of Novel Inhibitors of LpxC Displaying Potent in Vitro Activity against Gram-Negative Bacteria.
J.Med.Chem., 63, 2020
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8ORQ
 | | Cryo-EM structure of Pyrococcus furiosus apo form RNA polymerase open clamp conformation | | Descriptor: | DNA-directed RNA polymerase subunit Rpo10, DNA-directed RNA polymerase subunit Rpo11, DNA-directed RNA polymerase subunit Rpo12, ... | | Authors: | Tarau, D.M, Reichelt, R, Heiss, F.B, Pilsl, M, Hausner, W, Engel, C, Grohmann, D. | | Deposit date: | 2023-04-17 | | Release date: | 2024-04-24 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural basis of archaeal RNA polymerase transcription elongation and Spt4/5 recruitment.
Nucleic Acids Res., 52, 2024
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6I49
 | | Structure of P. aeruginosa LpxC with compound 17a: (2R)-N-Hydroxy-2-methyl-2-(methylsulfonyl)-4(6((4(morpholinomethyl)phenyl)ethynyl)-3-oxo-1H-pyrrolo[1,2-c]imidazol-2(3H)yl)butanamide | | Descriptor: | (2~{R})-2-methyl-2-methylsulfonyl-4-[6-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]-3-oxidanylidene-1~{H}-pyrrolo[1,2-c]imidazol-2-yl]-~{N}-oxidanyl-butanamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | | Authors: | Surivet, J.-P, Panchaud, P, Specklin, J.-L, Diethelm, S, Blumstein, A.-C, Gauvin, J.-C, Jacob, L, Masse, F, Mathieu, G, Mirre, A, Schmitt, C, Enderlin-Paput, M, Lange, R, Bur, D, Tidten-Luksch, N, Gnerre, C, Seeland, S, Hermann, C, Locher, H.H, Seiler, P, Mac Sweeney, A, Hubschwerlen, C, Ritz, D, Rueedi, G. | | Deposit date: | 2018-11-09 | | Release date: | 2019-12-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Discovery of Novel Inhibitors of LpxC Displaying Potent in Vitro Activity against Gram-Negative Bacteria.
J.Med.Chem., 63, 2020
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8OKI
 | | Cryo-EM structure of Pyrococcus furiosus transcription elongation complex bound to Spt4/5 | | Descriptor: | DNA Non-Template Strand, DNA Template Strand, DNA-directed RNA polymerase subunit Rpo10, ... | | Authors: | Tarau, D.M, Reichelt, R, Heiss, F.B, Pilsl, M, Hausner, W, Engel, C, Grohmann, D. | | Deposit date: | 2023-03-28 | | Release date: | 2024-04-24 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.45 Å) | | Cite: | Structural basis of archaeal RNA polymerase transcription elongation and Spt4/5 recruitment.
Nucleic Acids Res., 52, 2024
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5EPI
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5AAZ
 | | TBK1 recruitment to cytosol-invading Salmonella induces anti- bacterial autophagy | | Descriptor: | OPTINEURIN, ZINC ION | | Authors: | Thurston, T.l, Allen, M.D, Ravenhill, B, Karpiyevitch, M, Bloor, S, Kaul, A, Matthews, S, Komander, D, Holden, D, Bycroft, M, Randow, F. | | Deposit date: | 2015-07-31 | | Release date: | 2016-07-13 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Recruitment of Tbk1 to Cytosol-Invading Salmonella Induces Wipi2-Dependent Antibacterial Autophagy.
Embo J., 35, 2016
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5EYB
 | | X-ray Structure of Reb1-Ter Complex | | Descriptor: | DNA (26-MER), DNA-binding protein reb1 | | Authors: | Jaiswal, R, Choudhury, M, Zaman, S, Singh, S, Santosh, V, Bastia, D, Escalante, C.R. | | Deposit date: | 2015-11-24 | | Release date: | 2016-04-13 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Functional architecture of the Reb1-Ter complex of Schizosaccharomyces pombe.
Proc.Natl.Acad.Sci.USA, 113, 2016
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8PPO
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5B8I
 | | Crystal structure of Calcineurin A and Calcineurin B in complex with FKBP12 and FK506 from Coccidioides immitis RS | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, ... | | Authors: | Seattle Structural Genomics Center for Infectious Disease (SSGCID), Fox III, D, Dranow, D.M, Lorimer, D.D, Edwards, T.E. | | Deposit date: | 2015-05-03 | | Release date: | 2015-05-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Harnessing calcineurin-FK506-FKBP12 crystal structures from invasive fungal pathogens to develop antifungal agents.
Nat Commun, 10, 2019
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7SEP
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1E0V
 | | Xylanase 10A from Sreptomyces lividans. cellobiosyl-enzyme intermediate at 1.7 A | | Descriptor: | ENDO-1,4-BETA-XYLANASE A, beta-D-glucopyranose-(1-4)-2-deoxy-2-fluoro-alpha-D-glucopyranose | | Authors: | Ducros, V, Charnock, S.J, Derewenda, U, Derewenda, Z.S, Dauter, Z, Dupont, C, Shareck, F, Morosoli, R, Kluepfel, D, Davies, G.J. | | Deposit date: | 2000-04-10 | | Release date: | 2001-04-05 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Substrate Specificity in Glycoside Hydrolase Family 10. Structural and Kinetic Analysis of the Streptomyces Lividans Xylanase 10A
J.Biol.Chem., 275, 2000
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7N9E
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7N9B
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7N7W
 | | Crystal Structure of SARS-CoV-2 NendoU in complex with CSC000178569 | | Descriptor: | N-(2-fluorophenyl)-N'-methylurea, Uridylate-specific endoribonuclease | | Authors: | Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G. | | Deposit date: | 2021-06-11 | | Release date: | 2021-09-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 51, 2023
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7N83
 | | Crystal Structure of SARS-CoV-2 NendoU in complex with Z2443429438 | | Descriptor: | (3S)-1-(phenylsulfonyl)pyrrolidin-3-amine, CITRIC ACID, Uridylate-specific endoribonuclease | | Authors: | Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G. | | Deposit date: | 2021-06-12 | | Release date: | 2021-09-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 51, 2023
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7N7U
 | | Crystal Structure of SARS-CoV-2 NendoU in complex with LIZA-7 | | Descriptor: | 1-[(2~{R},4~{S},5~{R})-5-[[(azanylidene-$l^{4}-azanylidene)amino]methyl]-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione, Uridylate-specific endoribonuclease | | Authors: | Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G. | | Deposit date: | 2021-06-11 | | Release date: | 2021-09-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 51, 2023
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7N7Y
 | | Crystal Structure of SARS-CoV-2 NendoU in complex with Z18197050 | | Descriptor: | Uridylate-specific endoribonuclease, methyl 4-sulfamoylbenzoate | | Authors: | Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G. | | Deposit date: | 2021-06-11 | | Release date: | 2021-09-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 51, 2023
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