5JJM
 
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6YSO
 | | Crystal structure of the (SR) Ca2+-ATPase solved by vanadium SAD phasing | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, OCTANOIC ACID [3S-[3ALPHA, ... | | Authors: | El Omari, K, Mohamad, N, Bountra, K, Duman, R, Romano, M, Schlegel, K, Kwong, H, Mykhaylyk, V, Olesen, C.E, Moller, J.V, Bublitz, M, Beis, K, Wagner, A. | | Deposit date: | 2020-04-22 | | Release date: | 2020-11-04 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (3.13 Å) | | Cite: | Experimental phasing with vanadium and application to nucleotide-binding membrane proteins.
Iucrj, 7, 2020
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4P3B
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8UI2
 | | T33-ml28 - Designed Tetrahedral Protein Cage Using Machine Learning Algorithms | | Descriptor: | T33-ml28-redesigned-CutA-fold, T33-ml28-redesigned-tandem-BMC-T-fold | | Authors: | Castells-Graells, R, Meador, K, Sawaya, M.R, Yeates, T.O. | | Deposit date: | 2023-10-09 | | Release date: | 2024-03-06 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.73 Å) | | Cite: | A suite of designed protein cages using machine learning and protein fragment-based protocols.
Structure, 32, 2024
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6AGT
 | | Crystal structure of PfKRS complexed with chromone inhibitor | | Descriptor: | COBALT (II) ION, FORMIC ACID, LYSINE, ... | | Authors: | Yogavel, M, Sharma, A, Sharma, A, Baragana, B, Walpole, C. | | Deposit date: | 2018-08-14 | | Release date: | 2019-03-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.953 Å) | | Cite: | Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6EN8
 | | SaFadR in complex with dsDNA | | Descriptor: | DNA (5'-D(*CP*TP*AP*CP*TP*TP*GP*AP*TP*TP*TP*TP*TP*GP*AP*GP*TP*CP*GP*AP*C)-3'), DNA (5'-D(*GP*TP*CP*GP*AP*CP*TP*CP*AP*AP*AP*AP*AP*TP*CP*AP*AP*GP*TP*AP*G)-3'), Transcriptional regulator TetR family, ... | | Authors: | Valegard, K. | | Deposit date: | 2017-10-04 | | Release date: | 2018-10-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.29 Å) | | Cite: | A TetR-family transcription factor regulates fatty acid metabolism in the archaeal model organism Sulfolobus acidocaldarius.
Nat Commun, 10, 2019
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6EL2
 | | SaFadR_lauroyl_CoA complex | | Descriptor: | DODECYL-COA, Transcriptional regulator TetR family | | Authors: | Valegard, K. | | Deposit date: | 2017-09-27 | | Release date: | 2018-10-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A TetR-family transcription factor regulates fatty acid metabolism in the archaeal model organism Sulfolobus acidocaldarius.
Nat Commun, 10, 2019
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8UMR
 | | T33-ml35 Assembly Intermediate - Designed Tetrahedral Protein Cage Using Machine Learning Algorithms | | Descriptor: | T33-ml35-redesigned-CutA-fold, T33-ml35-redesigned-TPR-domain-fold | | Authors: | Castells-Graells, R, Meador, K, Sawaya, M.R, Yeates, T.O. | | Deposit date: | 2023-10-18 | | Release date: | 2024-03-06 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (4.42 Å) | | Cite: | A suite of designed protein cages using machine learning and protein fragment-based protocols.
Structure, 32, 2024
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8UKM
 | | T33-ml30 - Designed Tetrahedral Protein Cage Using Machine Learning Algorithms | | Descriptor: | T33-ml30-redesigned-4-OT-fold, T33-ml30-redesigned-tandem-BMC-T-fold | | Authors: | Castells-Graells, R, Meador, K, Sawaya, M.R, Yeates, T.O. | | Deposit date: | 2023-10-14 | | Release date: | 2024-03-06 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | A suite of designed protein cages using machine learning and protein fragment-based protocols.
Structure, 32, 2024
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8UN1
 | | T33-ml23 Assembly Intermediate - Designed Tetrahedral Protein Cage Using Machine Learning Algorithms | | Descriptor: | T33-ml23-redesigned-CutA-fold, T33-ml23-redesigned-tandem-BMC-T-fold | | Authors: | Castells-Graells, R, Meador, K, Sawaya, M.R, Yeates, T.O. | | Deposit date: | 2023-10-18 | | Release date: | 2024-03-06 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | A suite of designed protein cages using machine learning and protein fragment-based protocols.
Structure, 32, 2024
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4NWK
 | | Crystal structure of hepatis c virus protease (ns3) complexed with bms-605339 aka n-(tert-butoxycarbonyl)-3-me thyl-l-valyl-(4r)-n-((1r,2s)-1-((cyclopropylsulfonyl)carba moyl)-2-vinylcyclopropyl)-4-((6-methoxy-1-isoquinolinyl)ox y)-l-prolinamide | | Descriptor: | GLYCEROL, HCV NS3 1a Protease, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-4-[(6-methoxyisoquinolin-1-yl)oxy]-L-prolinamide, ... | | Authors: | Muckelbauer, J.K, Klei, H.E. | | Deposit date: | 2013-12-06 | | Release date: | 2014-03-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Discovery and Early Clinical Evaluation of BMS-605339, a Potent and Orally Efficacious Tripeptidic Acylsulfonamide NS3 Protease Inhibitor for the Treatment of Hepatitis C Virus Infection.
J.Med.Chem., 57, 2014
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4NWL
 | | Crystal structure of hepatis c virus protease (ns3) complexed with bms-650032 aka n-(tert-butoxycarbonyl)-3-me thyl-l-valyl-(4r)-4-((7-chloro-4-methoxy-1-isoquinolinyl)o xy)-n-((1r,2s)-1-((cyclopropylsulfonyl)carbamoyl)-2-vinylc yclopropyl)-l-prolinamide | | Descriptor: | HCV NS3 1a Protease, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-L-prolinamide, ZINC ION | | Authors: | Muckelbauer, J.K, Klei, H.E. | | Deposit date: | 2013-12-06 | | Release date: | 2014-03-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery and Early Clinical Evaluation of BMS-605339, a Potent and Orally Efficacious Tripeptidic Acylsulfonamide NS3 Protease Inhibitor for the Treatment of Hepatitis C Virus Infection.
J.Med.Chem., 57, 2014
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3N5A
 | | Synaptotagmin-7, C2B-domain, calcium bound | | Descriptor: | CALCIUM ION, Synaptotagmin-7 | | Authors: | Tomchick, D.R, Rizo, J, Craig, T.K. | | Deposit date: | 2010-05-24 | | Release date: | 2010-09-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.441 Å) | | Cite: | Structural and mutational analysis of functional differentiation between synaptotagmins-1 and -7.
Plos One, 5, 2010
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3NFW
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6QPS
 | | Structural characterization of a mannuronic acid specific polysaccharide family 6 lyase enzyme from human gut microbiota | | Descriptor: | ACETATE ION, CALCIUM ION, Polysaccharide Lyase Family 6 | | Authors: | Fredslund, F, Stender, E.G.P, Svensson, B, Welner, D.H. | | Deposit date: | 2019-02-14 | | Release date: | 2019-09-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.287 Å) | | Cite: | Structural and functional aspects of mannuronic acid-specific PL6 alginate lyase from the human gut microbeBacteroides cellulosilyticus.
J.Biol.Chem., 294, 2019
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7TGP
 | | E176T/Y188G variant of the internal UBA Domain of HHR23A | | Descriptor: | UV excision repair protein RAD23 homolog A | | Authors: | Rothfuss, M, Bowler, B.E, McClelland, L.J, Sprang, S.R. | | Deposit date: | 2022-01-08 | | Release date: | 2023-04-12 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | High-Accuracy Prediction of Stabilizing Surface Mutations to the Three-Helix Bundle, UBA(1), with EmCAST.
J.Am.Chem.Soc., 145, 2023
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7AX4
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7BIG
 | | Crystal structure of v13WRAP-T, a 7-bladed designer protein | | Descriptor: | CHLORIDE ION, v13WRAP-T | | Authors: | Lee, X.Y, Mylemans, B, Laier, I, Voet, A.R.D. | | Deposit date: | 2021-01-12 | | Release date: | 2021-09-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure and stability of the designer protein WRAP-T and its permutants.
Sci Rep, 11, 2021
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7BID
 | | Crystal structure of v31WRAP-T, a 7-bladed designer protein | | Descriptor: | v31WRAP-T | | Authors: | Laier, I, Mylemans, B, Lee, X.Y, Voet, A.R.D. | | Deposit date: | 2021-01-12 | | Release date: | 2021-09-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure and stability of the designer protein WRAP-T and its permutants.
Sci Rep, 11, 2021
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7BIE
 | | Crystal structure of nvWrap-T, a 7-bladed symmetric propeller | | Descriptor: | CITRIC ACID, nvWRAP-T | | Authors: | Lee, X.Y, Mylemans, B, Laier, I, Voet, A.R.D. | | Deposit date: | 2021-01-12 | | Release date: | 2021-09-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure and stability of the designer protein WRAP-T and its permutants.
Sci Rep, 11, 2021
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7BIF
 | | Crystal structure of v22WRAP-T, a 7-bladed designer protein | | Descriptor: | v22WRAP-T | | Authors: | Lee, X.Y, Mylemans, B, Laier, I, Voet, A.R.D. | | Deposit date: | 2021-01-12 | | Release date: | 2021-09-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure and stability of the designer protein WRAP-T and its permutants.
Sci Rep, 11, 2021
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6CYR
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4ZZL
 | | MexR R21W derepressor mutant causing multidrug resistance in P. aeruginosa by mexAB-oprM efflux pump expression | | Descriptor: | GLYCEROL, MULTIDRUG RESISTANCE OPERON REPRESSOR | | Authors: | Anandapadamanaban, M, Pilstal, R, Ziauddin, J.M.E, Moche, M, Wallner, B, Sunnerhagen, M. | | Deposit date: | 2015-04-10 | | Release date: | 2016-07-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Mutation-Induced Population Shift in the Mexr Conformational Ensemble Disengages DNA Binding: A Novel Mechanism for Marr Family Derepression.
Structure, 24, 2016
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6CYO
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5JHS
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