Author results

2ALV
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X-RAY STRUCTURAL ANALYSIS OF SARS CORONAVIRUS 3CL PROTEINASE IN COMPLEX WITH DESIGNED ANTI-VIRAL INHIBITORS
Descriptor:Replicase polyprotein 1ab, N-((3S,6R)-6-((S,E)-4-ETHOXYCARBONYL-1-((S)-2-OXOPYRROLIDIN-3-YL)BUT-3-EN-2-YLCARBAMOYL)-2,9-DIMETHYL-4-OXODEC-8-EN-3-YL)-5-METHYLISOXAZOLE-3-CARBOXAMIDE
Authors:Ghosh, A.K., Xi, K., Ratia, K., Santarsiero, B.D., Fu, W., Harcourt, B.H., Rota, P.A., Baker, S.C., Johnson, M.E., Mesecar, A.D.
Deposit date:2005-08-08
Release date:2006-08-08
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Design and synthesis of peptidomimetic severe acute respiratory syndrome chymotrypsin-like protease inhibitors.
J.Med.Chem., 48, 2005
5DQC
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CO-CRYSTAL OF BACE1 WITH COMPOUND 0211
Descriptor:Beta-secretase 1, N-[(2S,3R)-3-hydroxy-4-({(2S,3S)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl}amino)-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
Authors:Ghosh, A.K., Bhavanam, S.R., Yen, T.-C., Cardenas, E.L., Rao, K.V., Downs, D., Huang, X., Tang, J., Mescar, A.D.
Deposit date:2015-09-14
Release date:2016-02-17
Last modified:2016-07-13
Method:X-RAY DIFFRACTION (2.4651 Å)
Cite:Design of Potent and Highly Selective Inhibitors for Human beta-Secretase 2 (Memapsin 1), a Target for Type 2 Diabetes.
Chem Sci, 7, 2016
2P4J
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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:2017-10-18
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
2VKM
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CRYSTAL STRUCTURE OF GRL-8234 BOUND TO BACE (BETA-SECRETASE)
Descriptor:BETA-SECRETASE 1, N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
Authors:Hong, L., Tang, J., Ghosh, A.K.
Deposit date:2007-12-04
Release date:2008-12-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Potent Memapsin 2 (Beta-Secretase) Inhibitors: Design, Synthesis, Protein-Ligand X-Ray Structure, and in Vivo Evaluation.
Bioorg.Med.Chem.Lett., 18, 2008
2IEN
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CRYSTAL STRUCTURE ANALYSIS OF HIV-1 PROTEASE WITH A POTENT NON-PEPTIDE INHIBITOR (UIC-94017)
Descriptor:Protease, SODIUM ION, CHLORIDE ION, ...
Authors:Tie, Y., Boross, P.I., Wang, Y.F., Gaddis, L., Manna, D., Hussain, A.K., Leshchenko, S., Ghosh, A.K., Louis, J.M., Harrison, R.W., Weber, I.T.
Deposit date:2006-09-19
Release date:2006-10-03
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:High Resolution Crystal Structures of HIV-1 Protease with a Potent Non-Peptide Inhibitor (Uic-94017) Active Against Multi-Drug-Resistant Clinical Strains.
J.Mol.Biol., 338, 2004
2IDW
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CRYSTAL STRUCTURE ANALYSIS OF HIV-1 PROTEASE MUTANT V82A WITH A POTENT NON-PEPTIDE INHIBITOR (UIC-94017)
Descriptor:Protease, CHLORIDE ION, PHOSPHATE ION, ...
Authors:Tie, Y., Boross, P.I., Wang, Y.F., Gaddis, L., Manna, D., Hussain, A.K., Leshchenko, S., Ghosh, A.K., Louis, J.M., Harrison, R.W., Weber, I.T.
Deposit date:2006-09-15
Release date:2006-10-03
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:High Resolution Crystal Structures of HIV-1 Protease with a Potent Non-Peptide Inhibitor (Uic-94017) Active Against Multi-Drug-Resistant Clinical Strains.
J.Mol.Biol., 338, 2004
2IEO
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CRYSTAL STRUCTURE ANALYSIS OF HIV-1 PROTEASE MUTANT I84V WITH A POTENT NON-PEPTIDE INHIBITOR (UIC-94017)
Descriptor:Protease, CHLORIDE ION, SODIUM ION, ...
Authors:Tie, Y., Boross, P.I., Wang, Y.F., Gaddis, L., Manna, D., Hussain, A.K., Leshchenko, S., Ghosh, A.K., Louis, J.M., Harrison, R.W., Weber, I.T.
Deposit date:2006-09-19
Release date:2006-10-03
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:High Resolution Crystal Structures of HIV-1 Protease with a Potent Non-Peptide Inhibitor (Uic-94017) Active Against Multi-Drug-Resistant Clinical Strains.
J.Mol.Biol., 338, 2004
3BT4
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CRYSTAL STRUCTURE ANALYSIS OF AMFPI-1, FUNGAL PROTEASE INHIBITOR FROM ANTHERAEA MYLITTA
Descriptor:Fungal protease inhibitor-1, GLYCEROL
Authors:Roy, S., Aravind, P., Madhurantakam, C., Ghosh, A.K., Sankarananarayanan, R., Das, A.K.
Deposit date:2007-12-27
Release date:2008-12-30
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of a fungal protease inhibitor from Antheraea mylitta
J.Struct.Biol., 166, 2009
3P7X
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CRYSTAL STRUCTURE OF AN ATYPICAL TWO-CYSTEINE PEROXIREDOXIN (SAOUHSC_01822) FROM STAPHYLOCOCCUS AUREUS NCTC8325
Descriptor:Probable thiol peroxidase, SULFATE ION, TETRAETHYLENE GLYCOL, ...
Authors:Bhattacharyya, S., Dutta, D., Ghosh, A.K., Das, A.K.
Deposit date:2010-10-13
Release date:2011-10-19
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Crystal structure of an atypical two-cysteine peroxiredoxin (SAOUHSC_01822) from Staphylococcus aureus NCTC8325
To be Published
3QMF
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CRYSTAL STRUCUTURE OF AN INOSITOL MONOPHOSPHATASE FAMILY PROTEIN (SAS2203) FROM STAPHYLOCOCCUS AUREUS MSSA476
Descriptor:Inositol monophosphatase family protein, SULFATE ION
Authors:Bhattacharyya, S., Dutta, D., Ghosh, A.K., Das, A.K.
Deposit date:2011-02-04
Release date:2012-01-18
Last modified:2013-07-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of Staphylococcal dual specific inositol monophosphatase/NADP(H) phosphatase (SAS2203) delineates the molecular basis of substrate specificity
Biochimie, 94, 2012
3RYD
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CRYSTAL STRUCUTRE OF CA BOUND IMPASE FAMILY PROTEIN FROM STAPHYLOCOCCUS AUREUS
Descriptor:Inositol monophosphatase family protein, CALCIUM ION, S,R MESO-TARTARIC ACID, ...
Authors:Bhattacharyya, S., Dutta, D., Ghosh, A.K., Das, A.K.
Deposit date:2011-05-11
Release date:2012-01-18
Last modified:2013-07-03
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Crystal structure of Staphylococcal dual specific inositol monophosphatase/NADP(H) phosphatase (SAS2203) delineates the molecular basis of substrate specificity
Biochimie, 94, 2012
4RUV
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CRYSTAL STRUCTURE OF THIOREDOXIN 2 FROM STAPHYLOCOCCUS AUREUS NCTC8325
Descriptor:Thioredoxin
Authors:Bose, M., Biswas, R., Roychowdhury, A., Bhattacharyya, S., Ghosh, A.K., Das, A.K.
Deposit date:2014-11-22
Release date:2015-12-09
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Elucidation of the mechanism of disulfide exchange between staphylococcal thioredoxin2 and thioredoxin reductase2: a structural insight.
Biochimie, 2019
5EYG
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CRYSTAL STRUCTURE OF IMPASE/NADP PHOSPHATASE COMPLEXED WITH NADP AND CA2+
Descriptor:Inositol monophosphatase, CALCIUM ION, TRIETHYLENE GLYCOL, ...
Authors:Bhattacharyya, S., Dutta, D., Ghosh, A.K., Das, A.K.
Deposit date:2015-11-25
Release date:2015-12-23
Last modified:2017-01-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural elucidation of the NADP(H) phosphatase activity of staphylococcal dual-specific IMPase/NADP(H) phosphatase
Acta Crystallogr D Struct Biol, 72, 2016
5EYH
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CRYSTAL STRUCTURE OF IMPASE/NADP PHOSPHATASE COMPLEXED WITH NADP AND CA2+ AT PH 7.0
Descriptor:Inositol monophosphatase, CALCIUM ION, GLYCEROL, ...
Authors:Bhattacharyya, S., Dutta, D., Ghosh, A.K., Das, A.K.
Deposit date:2015-11-25
Release date:2015-12-23
Last modified:2017-01-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural elucidation of the NADP(H) phosphatase activity of staphylococcal dual-specific IMPase/NADP(H) phosphatase
Acta Crystallogr D Struct Biol, 72, 2016
5F24
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CRYSTAL STRUCTURE OF DUAL SPECIFIC IMPASE/NADP PHOSPHATASE BOUND WITH D-INOSITOL-1-PHOSPHATE
Descriptor:Inositol monophosphatase, CALCIUM ION, TETRAETHYLENE GLYCOL, ...
Authors:Bhattacharyya, S., Dutta, D., Ghosh, A.K., Das, A.K.
Deposit date:2015-12-01
Release date:2015-12-23
Last modified:2017-01-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural elucidation of the NADP(H) phosphatase activity of staphylococcal dual-specific IMPase/NADP(H) phosphatase
Acta Crystallogr D Struct Biol, 72, 2016
6A4J
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CRYSTAL STRUCTURE OF THIOREDOXIN REDUCTASE 2 FROM STAPHYLOCOCCUS AUREUS
Descriptor:Ferredoxin--NADP reductase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Bose, M., Bhattacharyya, S., Ghosh, A.K., Das, A.K.
Deposit date:2018-06-20
Release date:2018-07-11
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Elucidation of the mechanism of disulfide exchange between staphylococcal thioredoxin2 and thioredoxin reductase2: A structural insight.
Biochimie, 160, 2019
3D1Z
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CRYSTAL STRUCTURE OF HIV-1 MUTANT I54M AND INHIBITOR DARUNAVIR
Descriptor:HIV-1 Protease, CHLORIDE ION, (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ...
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:2011-07-13
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
3D20
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CRYSTAL STRUCTURE OF HIV-1 MUTANT I54V AND INHIBITOR DARUNAVIA
Descriptor:HIV-1 Protease, SODIUM ION, 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:2011-07-13
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
1M4H
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CRYSTAL STRUCTURE OF BETA-SECRETASE COMPLEXED WITH INHIBITOR OM00-3
Descriptor:beta-Secretase, Inhibitor OM00-3
Authors:Hong, L., Turner, R.T., Koelsch, G., Ghosh, A.K., Tang, J.
Deposit date:2002-07-02
Release date:2002-08-28
Last modified:2017-04-05
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of Memapsin 2 (beta-Secretase) in Complex with Inhibitor OM00-3
Biochemistry, 41, 2002
1XN2
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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:2011-07-13
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
1XN3
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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:2011-07-13
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
2NMY
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CRYSTAL STRUCTURE ANALYSIS OF HIV-1 PROTEASE MUTANT V82A WITH A INHIBITOR SAQUINAVIR
Descriptor:PROTEASE, CHLORIDE ION, SODIUM 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:2017-10-18
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
2NMZ
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CRYSTAL STRUCTURE ANALYSIS OF HIV-1 PROTEASE MUTANT V82A WITH A INHIBITOR SAQUINAVIR
Descriptor:PROTEASE, SULFATE ION, (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
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:2017-10-18
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
2NNK
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CRYSTAL STRUCTURE ANALYSIS OF HIV-1 PROTEASE MUTANT I84V WITH A INHIBITOR SAQUINAVIR
Descriptor:PROTEASE, SODIUM ION, 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:2017-10-18
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
2NNP
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CRYSTAL STRUCTURE ANALYSIS OF HIV-1 PROTEASE MUTANT I84V WITH A INHIBITOR SAQUINAVIR
Descriptor:PROTEASE, (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, ...
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:2017-10-18
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