9C6P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9c6p by Molmil](/molmil-images/mine/9c6p) | |
9C84
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9c84 by Molmil](/molmil-images/mine/9c84) | |
9C81
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9c81 by Molmil](/molmil-images/mine/9c81) | X-ray crystal structure of AmpC beta-lactamase with inhibitor | 分子名称: | (2R)-2-phenoxy-3-{[(1S,2S,4S)-spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-carbonyl]amino}propanoic acid, AmpC Beta-lactamase | 著者 | Liu, F, Shoichet, B.K, Bassim, V. | 登録日 | 2024-06-11 | 公開日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Improved correlations with score, hit-rate, and affinity as docking library and testing scale increase To Be Published
|
|
9C8J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9c8j by Molmil](/molmil-images/mine/9c8j) | |
9C83
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9c83 by Molmil](/molmil-images/mine/9c83) | X-ray crystal structure of AmpC beta-lactamase with inhibitor | 分子名称: | 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 | 著者 | Liu, F, Shoichet, B.K. | 登録日 | 2024-06-11 | 公開日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Improved correlations with score, hit-rate, and affinity as docking library and testing scale increase To Be Published
|
|
4WZC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wzc by Molmil](/molmil-images/mine/4wzc) | |
3CYW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3cyw by Molmil](/molmil-images/mine/3cyw) | Effect of Flap Mutations on Structure of HIV-1 Protease and Inhibition by Saquinavir and Darunavir | 分子名称: | (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, ... | 著者 | Liu, F, Weber, I.T. | 登録日 | 2008-04-27 | 公開日 | 2008-05-27 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Effect of flap mutations on structure of HIV-1 protease and inhibition by saquinavir and darunavir. J.Mol.Biol., 381, 2008
|
|
3D20
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3d20 by Molmil](/molmil-images/mine/3d20) | Crystal structure of HIV-1 mutant I54V and inhibitor DARUNAVIA | 分子名称: | (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, ... | 著者 | Liu, F, Kovalesky, A.Y, Tie, Y, Ghosh, A.K, Harrison, R.W, Weber, I.T. | 登録日 | 2008-05-07 | 公開日 | 2008-05-27 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | 主引用文献 | Effect of flap mutations on structure of HIV-1 protease and inhibition by saquinavir and darunavir. J.Mol.Biol., 381, 2008
|
|
3D1X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3d1x by Molmil](/molmil-images/mine/3d1x) | Crystal structure of HIV-1 mutant I54M and inhibitor saquinavir | 分子名称: | (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, ... | 著者 | Liu, F, Weber, I.T. | 登録日 | 2008-05-06 | 公開日 | 2008-06-03 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | 主引用文献 | Effect of flap mutations on structure of HIV-1 protease and inhibition by saquinavir and darunavir. J.Mol.Biol., 381, 2008
|
|
3D1Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3d1y by Molmil](/molmil-images/mine/3d1y) | Crystal structure of HIV-1 mutant I54V and inhibitor SAQUINA | 分子名称: | (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, ... | 著者 | Liu, F, Weber, I.T. | 登録日 | 2008-05-06 | 公開日 | 2008-05-27 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | 主引用文献 | Effect of flap mutations on structure of HIV-1 protease and inhibition by saquinavir and darunavir. J.Mol.Biol., 381, 2008
|
|
3CYX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3cyx by Molmil](/molmil-images/mine/3cyx) | Crystal structure of HIV-1 mutant I50V and inhibitor saquinavira | 分子名称: | (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, ... | 著者 | Liu, F, Weber, I.T. | 登録日 | 2008-04-27 | 公開日 | 2008-05-27 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Effect of flap mutations on structure of HIV-1 protease and inhibition by saquinavir and darunavir. J.Mol.Biol., 381, 2008
|
|
3D1Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3d1z by Molmil](/molmil-images/mine/3d1z) | Crystal structure of HIV-1 mutant I54M and inhibitor DARUNAVIR | 分子名称: | (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, ... | 著者 | Liu, F, Kovalesky, A.Y, Tie, Y, Ghosh, A.K, Harrison, R.W, Weber, I.T. | 登録日 | 2008-05-07 | 公開日 | 2008-05-27 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Effect of flap mutations on structure of HIV-1 protease and inhibition by saquinavir and darunavir. J.Mol.Biol., 381, 2008
|
|
4HLT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hlt by Molmil](/molmil-images/mine/4hlt) | Crystal structure of ferric E32V Pirin | 分子名称: | FE (II) ION, Pirin | 著者 | Liu, F, Rehmani, I, Esaki, S, Fu, R, Chen, L, Serrano, V, Liu, A. | 登録日 | 2012-10-17 | 公開日 | 2013-05-29 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Pirin is an iron-dependent redox regulator of NF-kappa B. Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
4HVR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hvr by Molmil](/molmil-images/mine/4hvr) | X-ray crystal structure of salicylic acid bound 3-hydroxyanthranilate-3,4-dioxygenase from cupriavidus metallidurans | 分子名称: | 2-HYDROXYBENZOIC ACID, 3-hydroxyanthranilate 3,4-dioxygenase, FE (III) ION | 著者 | Liu, F, Chen, L, Liu, A. | 登録日 | 2012-11-06 | 公開日 | 2013-11-27 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | X-ray crystal structure of salicylic acid bound 3-hydroxyanthranilate-3,4-dioxygenase from cupriavidus metallidurans To be Published
|
|
4HVO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hvo by Molmil](/molmil-images/mine/4hvo) | 1.75 angstrom x-ray crystal structure of cufe reconstituted 3-hydroxyanthranilate-3,4-dioxygenase from cupriavidus metallidurans | 分子名称: | 3-hydroxyanthranilate 3,4-dioxygenase, COPPER (II) ION, FE (II) ION | 著者 | Liu, F, Chen, L, Liu, A. | 登録日 | 2012-11-06 | 公開日 | 2013-11-27 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | An Iron Reservoir to the Catalytic Metal: THE RUBREDOXIN IRON IN AN EXTRADIOL DIOXYGENASE. J.Biol.Chem., 290, 2015
|
|
4HVQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hvq by Molmil](/molmil-images/mine/4hvq) | X-ray crystal structure of FECU reconstituted 3-hydroxyanthranilate-3,4-dioxygenase from cupriavidus metallidurans | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-hydroxyanthranilate 3,4-dioxygenase, FE (II) ION | 著者 | Liu, F, Chen, L, Liu, A. | 登録日 | 2012-11-06 | 公開日 | 2013-11-27 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | An Iron Reservoir to the Catalytic Metal: THE RUBREDOXIN IRON IN AN EXTRADIOL DIOXYGENASE. J.Biol.Chem., 290, 2015
|
|
4HSJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hsj by Molmil](/molmil-images/mine/4hsj) | 1.88 angstrom x-ray crystal structure of piconlinic-bound 3-hydroxyanthranilate-3,4-dioxygenase | 分子名称: | 3-hydroxyanthranilate 3,4-dioxygenase, FE (II) ION, PYRIDINE-2-CARBOXYLIC ACID | 著者 | Liu, F, Chen, L, Davis, C.I, Liu, A. | 登録日 | 2012-10-30 | 公開日 | 2015-05-06 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.883 Å) | 主引用文献 | An Iron Reservoir to the Catalytic Metal: THE RUBREDOXIN IRON IN AN EXTRADIOL DIOXYGENASE. J.Biol.Chem., 290, 2015
|
|
4I3P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4i3p by Molmil](/molmil-images/mine/4i3p) | |
4HSL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hsl by Molmil](/molmil-images/mine/4hsl) | 2.00 angstrom x-ray crystal structure of substrate-bound E110A 3-hydroxyanthranilate-3,4-dioxygenase from Cupriavidus metallidurans | 分子名称: | 3-HYDROXYANTHRANILIC ACID, 3-hydroxyanthranilate 3,4-dioxygenase, FE (II) ION | 著者 | Liu, F, Chen, L, Liu, A. | 登録日 | 2012-10-30 | 公開日 | 2013-11-27 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | 2.00 angstrom x-ray crystal structure of substrate-bound
E110A 3-hydroxyanthranilate-3,4-dioxygenase from Cupriavidus
metallidurans To be Published
|
|
4GUL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gul by Molmil](/molmil-images/mine/4gul) | Study on structure and function relationships in human ferric Pirin | 分子名称: | FE (III) ION, Pirin | 著者 | Liu, F, Rehmani, I, Fu, R, Esaka, S, Chen, L, Serrano, V, Liu, A. | 登録日 | 2012-08-29 | 公開日 | 2013-05-29 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Pirin is an iron-dependent redox regulator of NF-kappa B. Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
4IGM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4igm by Molmil](/molmil-images/mine/4igm) | |
4EWE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ewe by Molmil](/molmil-images/mine/4ewe) | Study on structure and function relationships in human Pirin with Manganese ion | 分子名称: | 1,2-ETHANEDIOL, MANGANESE (II) ION, Pirin | 著者 | Liu, F, Rehmani, I, Fu, R, Esaka, S, Chen, L, Serrano, V, Liu, A. | 登録日 | 2012-04-26 | 公開日 | 2013-05-29 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | 主引用文献 | Pirin is an iron-dependent redox regulator of NF-kappa B. Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
4EWD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ewd by Molmil](/molmil-images/mine/4ewd) | Study on structure and function relationships in human Pirin with Mn ion | 分子名称: | MANGANESE (II) ION, Pirin | 著者 | Liu, F, Rehmani, I, Chen, L, Fu, R, Serrano, V, Wilson, D.W, Liu, A. | 登録日 | 2012-04-26 | 公開日 | 2013-05-29 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Pirin is an iron-dependent redox regulator of NF-kappa B. Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
4ERO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ero by Molmil](/molmil-images/mine/4ero) | Study on structure and function relationships in human Pirin with Cobalt ion | 分子名称: | 1,2-ETHANEDIOL, COBALT (II) ION, Pirin | 著者 | Liu, F, Rehmani, I, Fu, R, Esaka, S, Chen, L, Serrano, V, Liu, A. | 登録日 | 2012-04-20 | 公開日 | 2013-05-29 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Pirin is an iron-dependent redox regulator of NF-kappa B. Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
4EWA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ewa by Molmil](/molmil-images/mine/4ewa) | Study on structure and function relationships in human Pirin with Fe ion | 分子名称: | FE (III) ION, Pirin | 著者 | Liu, F, Rehmani, I, Chen, L, Fu, R, Serrano, V, Wilson, D.W, Liu, A. | 登録日 | 2012-04-26 | 公開日 | 2013-05-29 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | 主引用文献 | Pirin is an iron-dependent redox regulator of NF-kappa B. Proc.Natl.Acad.Sci.USA, 110, 2013
|
|