3CYX
| Crystal structure of HIV-1 mutant I50V and inhibitor saquinavira | Descriptor: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, ACETIC ACID, GLYCEROL, ... | Authors: | Liu, F, Weber, I.T. | Deposit date: | 2008-04-27 | Release date: | 2008-05-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Effect of flap mutations on structure of HIV-1 protease and inhibition by saquinavir and darunavir. J.Mol.Biol., 381, 2008
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3D1Z
| Crystal structure of HIV-1 mutant I54M and inhibitor DARUNAVIR | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETIC ACID, CHLORIDE ION, ... | Authors: | Liu, F, Kovalesky, A.Y, Tie, Y, Ghosh, A.K, Harrison, R.W, Weber, I.T. | Deposit date: | 2008-05-07 | Release date: | 2008-05-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Effect of flap mutations on structure of HIV-1 protease and inhibition by saquinavir and darunavir. J.Mol.Biol., 381, 2008
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9CC9
| Dodecameric state of the NRC4 resistosome | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, NLR-required for cell death 4 | Authors: | Liu, F, Yang, Z, Nogales, E, Staskawicz, B.J. | Deposit date: | 2024-06-21 | Release date: | 2024-09-11 | Last modified: | 2024-09-18 | Method: | ELECTRON MICROSCOPY (3.54 Å) | Cite: | Activation of the helper NRC4 immune receptor forms a hexameric resistosome. Cell, 187, 2024
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9C84
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9C6P
| X-ray crystal structure of AmpC beta-lactamase with inhibitor | Descriptor: | 3-chloro-N-(5-chloro-2-methyl-1,3-benzothiazol-6-yl)-2-hydroxybenzene-1-sulfonamide, AmpC Beta-lactamase | Authors: | Liu, F, Shoichet, B.K. | Deposit date: | 2024-06-08 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.663 Å) | Cite: | Improved correlations with score, hit-rate, and affinity as docking library and testing scale increase To Be Published
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9C8J
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9C81
| X-ray crystal structure of AmpC beta-lactamase with inhibitor | Descriptor: | (2R)-2-phenoxy-3-{[(1S,2S,4S)-spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-carbonyl]amino}propanoic acid, AmpC Beta-lactamase | Authors: | Liu, F, Shoichet, B.K, Bassim, V. | Deposit date: | 2024-06-11 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Improved correlations with score, hit-rate, and affinity as docking library and testing scale increase To Be Published
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9C83
| X-ray crystal structure of AmpC beta-lactamase with inhibitor | Descriptor: | AmpC Beta-lactamase, N-[(3M)-3-(5-chloro-1,2,3-thiadiazol-4-yl)phenyl]-5-methyl-3-oxo-2,3-dihydro-1,2-oxazole-4-sulfonamide | Authors: | Liu, F, Shoichet, B.K. | Deposit date: | 2024-06-11 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Improved correlations with score, hit-rate, and affinity as docking library and testing scale increase To Be Published
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8WL1
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8WL3
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9CC8
| Hexameric state of the NRC4 resistosome | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, NLR-required for cell death 4 | Authors: | Liu, F, Yang, Z, Nogales, E, Staskawicz, B.J. | Deposit date: | 2024-06-21 | Release date: | 2024-09-11 | Last modified: | 2024-09-18 | Method: | ELECTRON MICROSCOPY (2.66 Å) | Cite: | Activation of the helper NRC4 immune receptor forms a hexameric resistosome. Cell, 187, 2024
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8WL4
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3D20
| Crystal structure of HIV-1 mutant I54V and inhibitor DARUNAVIA | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, CHLORIDE ION, HIV-1 Protease, ... | Authors: | Liu, F, Kovalesky, A.Y, Tie, Y, Ghosh, A.K, Harrison, R.W, Weber, I.T. | Deposit date: | 2008-05-07 | Release date: | 2008-05-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Effect of flap mutations on structure of HIV-1 protease and inhibition by saquinavir and darunavir. J.Mol.Biol., 381, 2008
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3D1Y
| Crystal structure of HIV-1 mutant I54V and inhibitor SAQUINA | Descriptor: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, CHLORIDE ION, HIV-1 Protease, ... | Authors: | Liu, F, Weber, I.T. | Deposit date: | 2008-05-06 | Release date: | 2008-05-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Effect of flap mutations on structure of HIV-1 protease and inhibition by saquinavir and darunavir. J.Mol.Biol., 381, 2008
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3D1X
| Crystal structure of HIV-1 mutant I54M and inhibitor saquinavir | Descriptor: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, CHLORIDE ION, GLYCEROL, ... | Authors: | Liu, F, Weber, I.T. | Deposit date: | 2008-05-06 | Release date: | 2008-06-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Effect of flap mutations on structure of HIV-1 protease and inhibition by saquinavir and darunavir. J.Mol.Biol., 381, 2008
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3CYW
| Effect of Flap Mutations on Structure of HIV-1 Protease and Inhibition by Saquinavir and Darunavir | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, CHLORIDE ION, GLYCEROL, ... | Authors: | Liu, F, Weber, I.T. | Deposit date: | 2008-04-27 | Release date: | 2008-05-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Effect of flap mutations on structure of HIV-1 protease and inhibition by saquinavir and darunavir. J.Mol.Biol., 381, 2008
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4WZC
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6O2P
| Complex of ivacaftor with cystic fibrosis transmembrane conductance regulator (CFTR) | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, ... | Authors: | Liu, F, Zhang, Z, Chen, J, Levit, A, Shoichet, B. | Deposit date: | 2019-02-24 | Release date: | 2019-06-26 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural identification of a hotspot on CFTR for potentiation. Science, 364, 2019
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4EWE
| Study on structure and function relationships in human Pirin with Manganese ion | Descriptor: | 1,2-ETHANEDIOL, MANGANESE (II) ION, Pirin | Authors: | Liu, F, Rehmani, I, Fu, R, Esaka, S, Chen, L, Serrano, V, Liu, A. | Deposit date: | 2012-04-26 | Release date: | 2013-05-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Pirin is an iron-dependent redox regulator of NF-kappa B. Proc.Natl.Acad.Sci.USA, 110, 2013
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4EWD
| Study on structure and function relationships in human Pirin with Mn ion | Descriptor: | MANGANESE (II) ION, Pirin | Authors: | Liu, F, Rehmani, I, Chen, L, Fu, R, Serrano, V, Wilson, D.W, Liu, A. | Deposit date: | 2012-04-26 | Release date: | 2013-05-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Pirin is an iron-dependent redox regulator of NF-kappa B. Proc.Natl.Acad.Sci.USA, 110, 2013
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4ERO
| Study on structure and function relationships in human Pirin with Cobalt ion | Descriptor: | 1,2-ETHANEDIOL, COBALT (II) ION, Pirin | Authors: | Liu, F, Rehmani, I, Fu, R, Esaka, S, Chen, L, Serrano, V, Liu, A. | Deposit date: | 2012-04-20 | Release date: | 2013-05-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Pirin is an iron-dependent redox regulator of NF-kappa B. Proc.Natl.Acad.Sci.USA, 110, 2013
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4EWA
| Study on structure and function relationships in human Pirin with Fe ion | Descriptor: | FE (III) ION, Pirin | Authors: | Liu, F, Rehmani, I, Chen, L, Fu, R, Serrano, V, Wilson, D.W, Liu, A. | Deposit date: | 2012-04-26 | Release date: | 2013-05-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Pirin is an iron-dependent redox regulator of NF-kappa B. Proc.Natl.Acad.Sci.USA, 110, 2013
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4GUL
| Study on structure and function relationships in human ferric Pirin | Descriptor: | FE (III) ION, Pirin | Authors: | Liu, F, Rehmani, I, Fu, R, Esaka, S, Chen, L, Serrano, V, Liu, A. | Deposit date: | 2012-08-29 | Release date: | 2013-05-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Pirin is an iron-dependent redox regulator of NF-kappa B. Proc.Natl.Acad.Sci.USA, 110, 2013
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4HLT
| Crystal structure of ferric E32V Pirin | Descriptor: | FE (II) ION, Pirin | Authors: | Liu, F, Rehmani, I, Esaki, S, Fu, R, Chen, L, Serrano, V, Liu, A. | Deposit date: | 2012-10-17 | Release date: | 2013-05-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Pirin is an iron-dependent redox regulator of NF-kappa B. Proc.Natl.Acad.Sci.USA, 110, 2013
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4HVR
| X-ray crystal structure of salicylic acid bound 3-hydroxyanthranilate-3,4-dioxygenase from cupriavidus metallidurans | Descriptor: | 2-HYDROXYBENZOIC ACID, 3-hydroxyanthranilate 3,4-dioxygenase, FE (III) ION | Authors: | Liu, F, Chen, L, Liu, A. | Deposit date: | 2012-11-06 | Release date: | 2013-11-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | X-ray crystal structure of salicylic acid bound 3-hydroxyanthranilate-3,4-dioxygenase from cupriavidus metallidurans To be Published
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