2B13
 
 | | Truncated S. aureus LytM, P41 crystal form | | Descriptor: | Glycyl-glycine endopeptidase lytM, L(+)-TARTARIC ACID, ZINC ION | | Authors: | Firczuk, M, Mucha, A, Bochtler, M. | | Deposit date: | 2005-09-15 | | Release date: | 2006-01-10 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal structures of active LytM.
J.Mol.Biol., 354, 2005
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6R71
 | | Crystal structure of human carbonic anhydrase isozyme XII with 2-(benzenesulfonyl)-4-chloro-N-(2-hydroxyethyl)-5-sulfamoyl-benzamide | | Descriptor: | 1,2-ETHANEDIOL, 4-chloranyl-~{N}-(2-hydroxyethyl)-2-(phenylsulfonyl)-5-sulfamoyl-benzamide, Carbonic anhydrase 12, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2019-03-28 | | Release date: | 2020-04-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms.
Eur.J.Med.Chem., 185, 2020
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7A10
 | | LppS with covalent adduct derived from 1g | | Descriptor: | 4-methoxycyclohexa-2,5-diene-1-thione, L,D-transpeptidase 2 | | Authors: | Schnell, R, Steiner, E.M. | | Deposit date: | 2020-08-11 | | Release date: | 2021-04-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | N-Thio-beta-lactams targeting L,D-transpeptidase-2, with activity against drug-resistant strains of Mycobacterium tuberculosis.
Cell Chem Biol, 28, 2021
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7A0Z
 | | LppS with covalent adduct derived from 1b | | Descriptor: | L,D-transpeptidase 2, TRIS(HYDROXYETHYL)AMINOMETHANE, benzenethiol | | Authors: | Schnell, R, Steiner, E.M. | | Deposit date: | 2020-08-11 | | Release date: | 2021-04-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | N-Thio-beta-lactams targeting L,D-transpeptidase-2, with activity against drug-resistant strains of Mycobacterium tuberculosis.
Cell Chem Biol, 28, 2021
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7A1E
 | | LppS with covalent adduct derived from 1c | | Descriptor: | ACETATE ION, L,D-transpeptidase 2, phenylmethanethiol | | Authors: | Schnell, R, Steiner, E.M. | | Deposit date: | 2020-08-12 | | Release date: | 2021-04-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | N-Thio-beta-lactams targeting L,D-transpeptidase-2, with activity against drug-resistant strains of Mycobacterium tuberculosis.
Cell Chem Biol, 28, 2021
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7A1C
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7A11
 | | LppS with covalent adduct derived from 1E | | Descriptor: | ACETATE ION, L,D-transpeptidase 2, propane-1-thiol | | Authors: | Schnell, R, Steiner, E.M. | | Deposit date: | 2020-08-11 | | Release date: | 2021-04-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | N-Thio-beta-lactams targeting L,D-transpeptidase-2, with activity against drug-resistant strains of Mycobacterium tuberculosis.
Cell Chem Biol, 28, 2021
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7PWS
 | | PARP15 catalytic domain in complex with OUL255 | | Descriptor: | 6-(cyclobutylmethoxy)phthalazine-1,4-dione, Protein mono-ADP-ribosyltransferase PARP15 | | Authors: | Maksimainen, M.M, Lehtio, L. | | Deposit date: | 2021-10-07 | | Release date: | 2022-05-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Potent 2,3-dihydrophthalazine-1,4-dione derivatives as dual inhibitors for mono-ADP-ribosyltransferases PARP10 and PARP15.
Eur.J.Med.Chem., 237, 2022
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7PWU
 | | PARP15 catalytic domain in complex with OUL256 | | Descriptor: | 6-(cyclopropylmethoxy)phthalazine-1,4-dione, Protein mono-ADP-ribosyltransferase PARP15 | | Authors: | Maksimainen, M.M, Lehtio, L. | | Deposit date: | 2021-10-07 | | Release date: | 2022-05-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Potent 2,3-dihydrophthalazine-1,4-dione derivatives as dual inhibitors for mono-ADP-ribosyltransferases PARP10 and PARP15.
Eur.J.Med.Chem., 237, 2022
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7PWR
 | | PARP15 catalytic domain in complex with OUL254 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 6-(cyclopentylmethoxy)phthalazine-1,4-dione, Protein mono-ADP-ribosyltransferase PARP15 | | Authors: | Maksimainen, M.M, Lehtio, L. | | Deposit date: | 2021-10-07 | | Release date: | 2022-05-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Potent 2,3-dihydrophthalazine-1,4-dione derivatives as dual inhibitors for mono-ADP-ribosyltransferases PARP10 and PARP15.
Eur.J.Med.Chem., 237, 2022
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6RS6
 | | X-ray crystal structure of LsAA9B | | Descriptor: | AA9, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Frandsen, K.E.H, Tovborg, M, Poulsen, J.C.N, Johansen, K.S, Lo Leggio, L. | | Deposit date: | 2019-05-21 | | Release date: | 2019-09-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Insights into an unusual Auxiliary Activity 9 family member lacking the histidine brace motif of lytic polysaccharide monooxygenases.
J.Biol.Chem., 294, 2019
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7PQR
 | | LsAA9A expressed in E. coli | | Descriptor: | ACETATE ION, Auxiliary activity 9, CHLORIDE ION, ... | | Authors: | Muderspach, S.J, Metherall, J, Ipsen, J, Rollan, C.H, Norholm, M, Johansen, K.S, Lo Leggio, L. | | Deposit date: | 2021-09-20 | | Release date: | 2022-08-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding.
Iucrj, 9, 2022
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7PXW
 | | LPMO, expressed in E.coli, in complex with Cellotetraose | | Descriptor: | Auxiliary activity 9, CHLORIDE ION, COPPER (II) ION, ... | | Authors: | Banerjee, S, Muderspach, S.J, Tandrup, T, Ipsen, J, Rollan, C.H, Norholm, M, Johansen, K.S, Lo Leggio, L. | | Deposit date: | 2021-10-08 | | Release date: | 2022-08-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding.
Iucrj, 9, 2022
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7PXS
 | | Room temperature X-ray structure of LPMO at 1.91x10^3 Gy | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity 9, COPPER (II) ION | | Authors: | Tandrup, T, Muderspach, S.J, Banerjee, S, Lo Leggio, L. | | Deposit date: | 2021-10-08 | | Release date: | 2022-08-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding.
Iucrj, 9, 2022
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7PXH
 | | Emodepside-bound Drosophila Slo channel | | Descriptor: | (3~{S},6~{R},9~{S},12~{R},15~{S},18~{R},21~{S},24~{R})-4,6,10,16,18,22-hexamethyl-3,9,15,21-tetrakis(2-methylpropyl)-12,24-bis[(4-morpholin-4-ylphenyl)methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone, (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, CALCIUM ION, ... | | Authors: | Raisch, T, Brockmann, A, Ebbinghaus-Kintscher, U, Freigang, J, Gutbrod, O, Kubicek, J, Maertens, B, Hofnagel, O, Raunser, S. | | Deposit date: | 2021-10-08 | | Release date: | 2021-12-15 | | Last modified: | 2021-12-22 | | Method: | ELECTRON MICROSCOPY (2.59 Å) | | Cite: | Small molecule modulation of the Drosophila Slo channel elucidated by cryo-EM.
Nat Commun, 12, 2021
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7PXG
 | | Verruculogen-bound Drosophila Slo channel | | Descriptor: | (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, CALCIUM ION, CHOLESTEROL, ... | | Authors: | Raisch, T, Brockmann, A, Ebbinghaus-Kintscher, U, Freigang, J, Gutbrod, O, Kubicek, J, Maertens, B, Hofnagel, O, Raunser, S. | | Deposit date: | 2021-10-08 | | Release date: | 2021-12-15 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.73 Å) | | Cite: | Small molecule modulation of the Drosophila Slo channel elucidated by cryo-EM.
Nat Commun, 12, 2021
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7PXF
 | | Ca2+ free Drosophila Slo channel | | Descriptor: | Isoform J of Calcium-activated potassium channel slowpoke, MAGNESIUM ION, POTASSIUM ION | | Authors: | Raisch, T, Brockmann, A, Ebbinghaus-Kintscher, U, Freigang, J, Gutbrod, O, Kubicek, J, Maertens, B, Hofnagel, O, Raunser, S. | | Deposit date: | 2021-10-08 | | Release date: | 2021-12-15 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.68 Å) | | Cite: | Small molecule modulation of the Drosophila Slo channel elucidated by cryo-EM.
Nat Commun, 12, 2021
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7PXE
 | | Ca2+ bound Drosophila Slo channel | | Descriptor: | (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, CALCIUM ION, CHOLESTEROL, ... | | Authors: | Raisch, T, Brockmann, A, Ebbinghaus-Kintscher, U, Freigang, J, Gutbrod, O, Kubicek, J, Maertens, B, Hofnagel, O, Raunser, S. | | Deposit date: | 2021-10-08 | | Release date: | 2021-12-15 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.38 Å) | | Cite: | Small molecule modulation of the Drosophila Slo channel elucidated by cryo-EM.
Nat Commun, 12, 2021
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6RS7
 | | X-ray crystal structure of LsAA9B (deglycosylated form) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, AA9, ... | | Authors: | Frandsen, K.E.H, Tovborg, M, Poulsen, J.C.N, Johansen, K.S, Lo Leggio, L. | | Deposit date: | 2019-05-21 | | Release date: | 2019-09-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Insights into an unusual Auxiliary Activity 9 family member lacking the histidine brace motif of lytic polysaccharide monooxygenases.
J.Biol.Chem., 294, 2019
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6RWF
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6ZRB
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7B24
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7B1Y
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7QBB
 | | Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 18 | | Descriptor: | 3C-like proteinase nsp5, 7-isoquinolin-4-yl-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione, DIMETHYL SULFOXIDE | | Authors: | Talibov, V.O. | | Deposit date: | 2021-11-18 | | Release date: | 2022-02-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses.
J.Am.Chem.Soc., 144, 2022
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7B23
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