4I8Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4i8z by Molmil](/molmil-images/mine/4i8z) | Crystal structure of wild type HIV-1 protease in complex with non-peptidic inhibitor, GRL008 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-carbamoylphenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, Protease | Authors: | Yedidi, R.S, Palmer, I, Das, D, Wingfield, P.T, Ghosh, A.K, Mitsuya, H. | Deposit date: | 2012-12-04 | Release date: | 2013-07-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | P2' benzene carboxylic acid moiety is associated with decrease in cellular uptake: evaluation of novel non-peptidic HIV-1 protease inhibitors containing P2 bis-tetrahydrofuran moiety. Antimicrob.Agents Chemother., 57, 2013
|
|
2KJ5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2kj5 by Molmil](/molmil-images/mine/2kj5) | Solution NMR structure of a domain from a putative phage integrase protein Nmul_A0064 from Nitrosospira multiformis, Northeast Structural Genomics Consortium Target NmR46C | Descriptor: | Phage integrase | Authors: | Mills, J.L, Eletsky, A, Ghosh, A, Wang, D, Lee, H, Ciccosanti, C, Jiang, M, Nair, R, Rost, B, Swapna, G.V.T, Acton, T.B, Xiao, R, Everett, J.K, Prestegard, J.H, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2009-05-21 | Release date: | 2009-06-02 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution NMR structure of a domain from a putative phage integrase protein Nmul_A0064 from Nitrosospira multiformis, Northeast Structural Genomics Consortium Target NmR46C. To be Published
|
|
2KPJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2kpj by Molmil](/molmil-images/mine/2kpj) | Solution Structure Of Protein SOS-response transcriptional repressor, LexA From Eubacterium rectale. Northeast Structural Genomics Consortium Target ErR9A | Descriptor: | SOS-response transcriptional repressor, LexA | Authors: | Wu, Y, Eletsky, A, Lee, D, Ghosh, A, Buchwald, W, Zhang, Q, Janjua, H, Garcia, E, Nair, R, Sukumaran, D, Rost, B, Acton, T, Xiao, R, Everett, J, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2009-10-16 | Release date: | 2009-11-17 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | Solution Structure Of Protein SOS-response transcriptional repressor, LexA From Eubacterium rectale. Northeast Structural Genomics Consortium Target ErR9A To be Published
|
|
1XN2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1xn2 by Molmil](/molmil-images/mine/1xn2) | New substrate binding pockets for beta-secretase. | Descriptor: | Beta-secretase 1, OM03-4 | Authors: | Turner III, R.T, Hong, L, Koelsch, G, Ghosh, A.K, Tang, J. | Deposit date: | 2004-10-04 | Release date: | 2005-03-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural locations and functional roles of new subsites S5, S6, and S7 in memapsin 2 (beta-secretase). Biochemistry, 44, 2005
|
|
2NNP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2nnp by Molmil](/molmil-images/mine/2nnp) | Crystal structure analysis of HIV-1 protease mutant I84V with a 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, ACETIC ACID, GLYCEROL, ... | Authors: | Tie, Y, Kovalevsky, A.Y, Boross, P, Wang, Y.F, Ghosh, A.K, Tozser, J, Harrison, R.W, Weber, I.T. | Deposit date: | 2006-10-24 | Release date: | 2007-03-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Atomic resolution crystal structures of HIV-1 protease and mutants V82A and I84V with saquinavir. Proteins, 67, 2007
|
|
2NMZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2nmz by Molmil](/molmil-images/mine/2nmz) | Crystal structure analysis of HIV-1 protease mutant V82A with a 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, PROTEASE, SULFATE ION | Authors: | Tie, Y, Kovalevsky, A.Y, Boross, P, Wang, Y.F, Ghosh, A.K, Tozser, J, Harrison, R.W, Weber, I.T. | Deposit date: | 2006-10-23 | Release date: | 2007-03-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Atomic resolution crystal structures of HIV-1 protease and mutants V82A and I84V with saquinavir. Proteins, 67, 2007
|
|
1XN3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1xn3 by Molmil](/molmil-images/mine/1xn3) | Crystal structure of Beta-secretase bound to a long inhibitor with additional upstream residues. | Descriptor: | Beta-secretase 1, Peptidic inhibitor | Authors: | Turner III, R.T, Hong, L, Koelsch, G, Ghosh, A.K, Tang, J. | Deposit date: | 2004-10-04 | Release date: | 2005-03-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural locations and functional roles of new subsites S5, S6, and S7 in memapsin 2 (beta-secretase). Biochemistry, 44, 2005
|
|
2NNK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2nnk by Molmil](/molmil-images/mine/2nnk) | Crystal structure analysis of HIV-1 protease mutant I84V with a 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, ACETIC ACID, CHLORIDE ION, ... | Authors: | Tie, Y, Kovalevsky, A.Y, Boross, P, Wang, Y.F, Ghosh, A.K, Tozser, J, Harrison, R.W, Weber, I.T. | Deposit date: | 2006-10-24 | Release date: | 2007-03-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Atomic resolution crystal structures of HIV-1 protease and mutants V82A and I84V with saquinavir. Proteins, 67, 2007
|
|
2NMY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2nmy by Molmil](/molmil-images/mine/2nmy) | Crystal structure analysis of HIV-1 protease mutant V82A with a 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, PROTEASE, ... | Authors: | Tie, Y, Kovalevsky, A.Y, Boross, P, Wang, Y.F, Ghosh, A.K, Tozser, J, Harrison, R.W, Weber, I.T. | Deposit date: | 2006-10-23 | Release date: | 2007-03-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Atomic resolution crystal structures of HIV-1 protease and mutants V82A and I84V with saquinavir. Proteins, 67, 2007
|
|
2MD3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2md3 by Molmil](/molmil-images/mine/2md3) | |
2MD4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2md4 by Molmil](/molmil-images/mine/2md4) | |
2MD2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2md2 by Molmil](/molmil-images/mine/2md2) | |
2MD1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2md1 by Molmil](/molmil-images/mine/2md1) | |
2P4J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2p4j by Molmil](/molmil-images/mine/2p4j) | Crystal structure of beta-secretase bond to an inhibitor with Isophthalamide Derivatives at P2-P3 | Descriptor: | Beta-secretase 1, N-[(1S,2S,4R)-2-HYDROXY-1-ISOBUTYL-5-({(1S)-1-[(ISOPROPYLAMINO)CARBONYL]-2-METHYLPROPYL}AMINO)-4-METHYL-5-OXOPENTYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE | Authors: | Hong, L, Ghosh, A.K, Tang, J. | Deposit date: | 2007-03-12 | Release date: | 2007-07-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Design, synthesis, and X-ray structure of potent memapsin 2 (beta-secretase) inhibitors with isophthalamide derivatives as the P2-P3-ligands. J.Med.Chem., 50, 2007
|
|
1FKN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1fkn by Molmil](/molmil-images/mine/1fkn) | Structure of Beta-Secretase Complexed with Inhibitor | Descriptor: | MEMAPSIN 2, inhibitor | Authors: | Hong, L, Koelsch, G, Lin, X, Wu, S, Terzyan, S, Ghosh, A, Zhang, X.C, Tang, J. | Deposit date: | 2000-08-09 | Release date: | 2000-10-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of the protease domain of memapsin 2 (beta-secretase) complexed with inhibitor. Science, 290, 2000
|
|
2KCZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2kcz by Molmil](/molmil-images/mine/2kcz) | Solution NMR structure of the C-terminal domain of protein DR_A0006 from Deinococcus radiodurans. Northeast Structural Genomics Consortium Target DrR147D | Descriptor: | Uncharacterized protein DR_A0006 | Authors: | Mills, J.L, Ghosh, A, Garcia, E, Wang, H, Ciccosanti, C, Xiao, R, Nair, R, Everett, J.K, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2008-12-31 | Release date: | 2009-01-20 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution NMR Structure of the C-Terminal Domain of Protein DR_A0006 from Deinococcus radiodurans. Northeast Structural Genomics Consortium Target DrR147D. To be Published
|
|
2KHN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2khn by Molmil](/molmil-images/mine/2khn) | NMR solution structure of the EH 1 domain from human intersectin-1 protein. Northeast Structural Genomics Consortium target HR3646E. | Descriptor: | Intersectin-1 | Authors: | Mills, J.L, Ghosh, A, Garcia, E, Zhang, Q, Shastry, R, Foote, E.L, Janjua, H, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2009-04-09 | Release date: | 2009-04-21 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | NMR solution structure of the EH 1 domain from human intersectin-1 protein. Northeast Structural Genomics Consortium target HR3646E. To be Published
|
|
2KGR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2kgr by Molmil](/molmil-images/mine/2kgr) | Solution structure of protein ITSN1 from Homo sapiens. Northeast Structural Genomics Consortium target HR5524A | Descriptor: | Intersectin-1 | Authors: | Wu, Y, Ghosh, A, Shastry, R, Hua, J, Ciccosanti, C, Zhang, Q, Jiang, M, Swapna, G, Acton, T, Xiao, R, Everett, J, Montelione, G, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2009-03-16 | Release date: | 2009-03-31 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of protein ITSN1 from Homo sapiens. Northeast Structural Genomics Consortium target HR5524A To be Published
|
|
4G61
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4g61 by Molmil](/molmil-images/mine/4g61) | Crystal structure of IMPase/NADP phosphatase complexed with Mg2+ and phosphate | Descriptor: | 1-HYDROXYSULFANYL-4-MERCAPTO-BUTANE-2,3-DIOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, CHLORIDE ION, ... | Authors: | Bhattacharyya, S, Dutta, D, Ghosh, A.K, Das, A.K. | Deposit date: | 2012-07-18 | Release date: | 2013-07-24 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural elucidation of the binding site and mode of inhibition of Li(+) and Mg(2+) in inositol monophosphatase. Febs J., 281, 2014
|
|
1OQ4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1oq4 by Molmil](/molmil-images/mine/1oq4) | The Crystal Structure of the Complex between Stearoyl Acyl Carrier Protein Desaturase from Ricinus Communis (Castor Bean) and Azide. | Descriptor: | AZIDE ION, Acyl-[acyl-carrier protein] desaturase, FE (III) ION | Authors: | Moche, M, Ghoshal, A.K, Shanklin, J, Lindqvist, Y. | Deposit date: | 2003-03-07 | Release date: | 2003-05-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Azide and acetate complexes plus two iron-depleted crystal structures of the di-iron enzyme delta 9 stearoyl-ACP desaturase- implications for oxygen activation and catalytic intermediates. J.Biol.Chem., 278, 2003
|
|
1OQ7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1oq7 by Molmil](/molmil-images/mine/1oq7) | The crystal structure of the iron free (Apo-)form of Stearoyl Acyl Carrier Protein Desaturase from Ricinus Communis (Castor Bean). | Descriptor: | Acyl-[acyl-carrier protein] desaturase, STRONTIUM ION | Authors: | Moche, M, Shanklin, J, Ghoshal, A.K, Lindqvist, Y. | Deposit date: | 2003-03-07 | Release date: | 2003-05-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Azide and Acetate Complexes plus two iron-depleted Crystal Structures of the Di-iron Enzyme delta9 Stearoyl-ACP Desaturase-Implications for Oxygen Activation and Catalytic Intermediates J.Biol.Chem., 278, 2003
|
|
1OQ9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1oq9 by Molmil](/molmil-images/mine/1oq9) | The Crystal Structure of the Complex between Stearoyl Acyl Carrier Protein Desaturase from Ricinus Communis (Castor Bean) and Acetate. | Descriptor: | ACETATE ION, Acyl-[acyl-carrier protein] desaturase, FE (III) ION | Authors: | Moche, M, Shanklin, J, Ghoshal, A.K, Lindqvist, Y. | Deposit date: | 2003-03-07 | Release date: | 2003-05-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Azide and Acetate Complexes plus two iron-depleted Crystal Structures of the Di-iron Enzyme delta9 Stearoyl-ACP Desaturase-Implications for Oxygen Activation and Catalytic Intermediates J.Biol.Chem., 278, 2003
|
|
1OQB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1oqb by Molmil](/molmil-images/mine/1oqb) | The Crystal Structure of the one-iron form of the di-iron center in Stearoyl Acyl Carrier Protein Desaturase from Ricinus Communis (Castor Bean). | Descriptor: | Acyl-[acyl-carrier protein] desaturase, FE (II) ION | Authors: | Moche, M, Shanklin, J, Ghoshal, A.K, Lindqvist, Y. | Deposit date: | 2003-03-07 | Release date: | 2003-05-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Azide and Acetate Complexes plus two iron-depleted Crystal Structures of the Di-iron Enzyme delta9 Stearoyl-ACP Desaturase-Implications for Oxygen Activation and Catalytic Intermediates J.Biol.Chem., 278, 2003
|
|