7SFH
 
 | | SARS-CoV-2 Main Protease (Mpro) in Complex with ML102 | | Descriptor: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-(3-phenylpropanoyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase, CALCIUM ION | | Authors: | Westberg, M, Fernandez, D, Lin, M.Z. | | Deposit date: | 2021-10-03 | | Release date: | 2022-10-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Rational design of a new class of protease inhibitors for the potential treatment of coronavirus diseases
To Be Published
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6TXW
 | | V30G Transthyretin structure in complex with Tolcalpone | | Descriptor: | Tolcapone, Transthyretin | | Authors: | Varejao, N, Reverter, D, Pinheiro, F, Pallares, I, Ventura, S. | | Deposit date: | 2020-01-14 | | Release date: | 2020-05-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.153 Å) | | Cite: | Tolcapone, a potent aggregation inhibitor for the treatment of familial leptomeningeal amyloidosis.
Febs J., 288, 2021
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7SGH
 | | SARS-CoV-2 Main Protease (Mpro) in Complex with ML124N | | Descriptor: | (S)-N-((S)-1-imino-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-4-methyl-2-(2-((2,4,6-trifluorophenyl)amino)acetamido)pentanamide, 3C-like proteinase | | Authors: | Westberg, M, Fernandez, D, Lin, M.Z. | | Deposit date: | 2021-10-05 | | Release date: | 2022-10-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Rational design of a new class of protease inhibitors for the potential treatment of coronavirus diseases
To Be Published
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6TZD
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7SFB
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7SFI
 | | SARS-CoV-2 Main Protease (Mpro) in Complex with ML104 | | Descriptor: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[N-(2,4,6-trifluorophenyl)glycyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase, CALCIUM ION, ... | | Authors: | Westberg, M, Fernandez, D, Lin, M.Z. | | Deposit date: | 2021-10-03 | | Release date: | 2022-10-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Rational design of a new class of protease inhibitors for the potential treatment of coronavirus diseases
To Be Published
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6U0O
 | | Crystal structure of a peptidoglycan release complex, SagB-SpdC, in lipidic cubic phase | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(2-ETHOXYETHOXY)ETHANOL, CITRATE ANION, ... | | Authors: | Owens, T.W, Schaefer, K, Kahne, D, Walker, S. | | Deposit date: | 2019-08-14 | | Release date: | 2020-09-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure and reconstitution of a hydrolase complex that may release peptidoglycan from the membrane after polymerization.
Nat Microbiol, 6, 2021
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6U1Z
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6U2F
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1WMA
 | | Crystal structure of human CBR1 in complex with Hydroxy-PP | | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, 3-(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL)PHENOL, ... | | Authors: | Rauh, D, Bateman, R, Shokat, K.M. | | Deposit date: | 2004-07-06 | | Release date: | 2005-04-26 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | An unbiased cell morphology-based screen for new, biologically active small molecules
Plos Biol., 3, 2005
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7SET
 | | SARS-CoV-2 Main Protease (Mpro) in Complex with ML1000 | | Descriptor: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase, CHLORIDE ION | | Authors: | Westberg, M, Fernandez, D, Lin, M.Z. | | Deposit date: | 2021-10-01 | | Release date: | 2022-10-05 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations.
Sci Transl Med, 16, 2024
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6U4I
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6U5K
 | | CryoEM Structure of Pyocin R2 - postcontracted - baseplate | | Descriptor: | Glue PA0627, Sheath Initiator PA0617, Sheath PA0622, ... | | Authors: | Ge, P, Avaylon, J, Scholl, D, Shneider, M.M, Browning, C, Buth, S.A, Plattner, M, Ding, K, Leiman, P.G, Miller, J.F, Zhou, Z.H. | | Deposit date: | 2019-08-27 | | Release date: | 2020-04-15 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Action of a minimal contractile bactericidal nanomachine.
Nature, 580, 2020
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6RYB
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6UG6
 | | C3 symmetric peptide design number 1, Sporty, crystal form 2 | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, C3-1, ... | | Authors: | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | | Deposit date: | 2019-09-25 | | Release date: | 2020-12-02 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
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3V9G
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7SF1
 | | SARS-CoV-2 Main Protease (Mpro) in Complex with ML1001 | | Descriptor: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(3,3-dimethylbutanoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | | Authors: | Westberg, M, Fernandez, D, Lin, M.Z. | | Deposit date: | 2021-10-02 | | Release date: | 2022-10-05 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations.
Sci Transl Med, 16, 2024
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6UIN
 | | Role of Beta-hairpin motifs in the DNA duplex opening by the Rad4/XPC nucleotide excision repair complex | | Descriptor: | DNA (5'-D(*AP*TP*TP*GP*TP*AP*GP*NP*NP*NP*NP*GP*GP*AP*TP*GP*TP*CP*GP*AP*GP*TP*CP*A)-3'), DNA (5'-D(*TP*TP*GP*AP*CP*TP*CP*(G47)P*AP*CP*AP*TP*CP*CP*CP*CP*CP*CP*CP*TP*AP*CP*AP*A)-3'), DNA repair protein RAD4, ... | | Authors: | Paul, D, Min, J.-H. | | Deposit date: | 2019-10-01 | | Release date: | 2020-10-14 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.348 Å) | | Cite: | Tethering-facilitated DNA 'opening' and complementary roles of beta-hairpin motifs in the Rad4/XPC DNA damage sensor protein
Nucleic Acids Res., 48, 2021
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6UCD
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6RJN
 | | Crystal structure of a Fungal Catalase at 2.3 Angstroms | | Descriptor: | CHLORIDE ION, Catalase, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Gomez, S, Navas-Yuste, S, Payne, A.M, Rivera, W, Lopez-Estepa, M, Brangbour, C, Fulla, D, Juanhuix, J, Fernandez, F.J, Vega, M.C. | | Deposit date: | 2019-04-28 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.295 Å) | | Cite: | Peroxisomal catalases from the yeasts Pichia pastoris and Kluyveromyces lactis as models for oxidative damage in higher eukaryotes.
Free Radic. Biol. Med., 141, 2019
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6UDW
 | | S2 symmetric peptide design number 3 crystal form 2, Lurch | | Descriptor: | S2-3, Lurch crystal form 2 | | Authors: | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | | Deposit date: | 2019-09-19 | | Release date: | 2020-09-23 | | Last modified: | 2020-12-02 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
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1WH5
 | | Solution structure of homeobox domain of Arabidopsisthaliana zinc finger homeobox family protein | | Descriptor: | ZF-HD homeobox family protein | | Authors: | Kaneno, D, Tochio, N, Saito, K, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2004-05-28 | | Release date: | 2004-11-28 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of homeobox domain of Arabidopsisthaliana zinc finger homeobox family protein
To be Published
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1WM7
 | | Solution Structure of BmP01 from the Venom of Scorpion Buthus martensii Karsch, 9 structures | | Descriptor: | Neurotoxin BmP01 | | Authors: | Wu, G, Li, Y, Wei, D, He, F, Jiang, S, Hu, G, Wu, H, Chen, X. | | Deposit date: | 2004-07-05 | | Release date: | 2004-07-27 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of BmP01 from the Venom of Scorpion Buthus martensii Karsch
Biochem.Biophys.Res.Commun., 276, 2000
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6UEN
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6UGB
 | | C3 symmetric peptide design number 2, Baby Basil | | Descriptor: | C3 symmetric peptide design number 2, Baby Basil, CHLORIDE ION, ... | | Authors: | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | | Deposit date: | 2019-09-26 | | Release date: | 2020-12-02 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
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