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PDB: 177 件
2VKM
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Crystal structure of GRL-8234 bound to BACE (Beta-secretase)
分子名称: 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
著者Hong, L, Tang, J, Ghosh, A.K.
登録日2007-12-04
公開日2008-12-16
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Potent Memapsin 2 (Beta-Secretase) Inhibitors: Design, Synthesis, Protein-Ligand X-Ray Structure, and in Vivo Evaluation.
Bioorg.Med.Chem.Lett., 18, 2008
2QD7
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BU of 2qd7 by Molmil
HIV-1 Protease Mutant V82A with potent Antiviral inhibitor GRL-98065
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(2S,3R)-3-HYDROXY-4-(N-ISOBUTYLBENZO[D][1,3]DIOXOLE-5-SULFONAMIDO)-1-PHENYLBUTAN-2-YLCARBAMATE, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Wang, Y.F, Tie, Y, Boross, P.I, Tozser, J, Ghosh, A.K, Harrison, R.W, Weber, I.T.
登録日2007-06-20
公開日2008-04-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.11 Å)
主引用文献Potent new antiviral compound shows similar inhibition and structural interactions with drug resistant mutants and wild type HIV-1 protease.
J.Med.Chem., 50, 2007
3BT4
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Crystal Structure Analysis of AmFPI-1, fungal protease inhibitor from Antheraea mylitta
分子名称: Fungal protease inhibitor-1, GLYCEROL
著者Roy, S, Aravind, P, Madhurantakam, C, Ghosh, A.K, Sankarananarayanan, R, Das, A.K.
登録日2007-12-27
公開日2008-12-30
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of a fungal protease inhibitor from Antheraea mylitta
J.Struct.Biol., 166, 2009
2FGL
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An alkali thermostable F/10 xylanase from alkalophilic Bacillus sp. NG-27
分子名称: MAGNESIUM ION, alkaline thermostable endoxylanase, alpha-D-xylopyranose, ...
著者Ramakumar, S, Manikandan, K, Bhardwaj, A, Reddy, V.S, Lokanath, N.K, Ghosh, A.
登録日2005-12-22
公開日2006-09-26
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of native and xylosaccharide-bound alkali thermostable xylanase from an alkalophilic Bacillus sp. NG-27: structural insights into alkalophilicity and implications for adaptation to polyextreme conditions.
Protein Sci., 15, 2006
2QD6
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HIV-1 Protease Mutant I50V with potent Antiviral inhibitor GRL-98065
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(2S,3R)-3-HYDROXY-4-(N-ISOBUTYLBENZO[D][1,3]DIOXOLE-5-SULFONAMIDO)-1-PHENYLBUTAN-2-YLCARBAMATE, ACETATE ION, CHLORIDE ION, ...
著者Wang, Y.F, Tie, Y, Boross, P.I, Tozser, J, Ghosh, A.K, Harrison, R.W, Weber, I.T.
登録日2007-06-20
公開日2008-04-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Potent new antiviral compound shows similar inhibition and structural interactions with drug resistant mutants and wild type HIV-1 protease.
J.Med.Chem., 50, 2007
2QCI
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HIV-1 Protease mutant D30N with potent Antiviral inhibitor GRL-98065
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(2S,3R)-3-HYDROXY-4-(N-ISOBUTYLBENZO[D][1,3]DIOXOLE-5-SULFONAMIDO)-1-PHENYLBUTAN-2-YLCARBAMATE, ACETATE ION, CHLORIDE ION, ...
著者Wang, Y.F, Tie, Y, Boross, P.I, Tozser, J, Ghosh, A.K, Harrison, R.W, Weber, I.T.
登録日2007-06-19
公開日2008-04-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Potent new antiviral compound shows similar inhibition and structural interactions with drug resistant mutants and wild type HIV-1 protease.
J.Med.Chem., 50, 2007
2QD8
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HIV-1 Protease Mutant I84V with potent Antiviral inhibitor GRL-98065
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(2S,3R)-3-HYDROXY-4-(N-ISOBUTYLBENZO[D][1,3]DIOXOLE-5-SULFONAMIDO)-1-PHENYLBUTAN-2-YLCARBAMATE, ACETATE ION, CHLORIDE ION, ...
著者Wang, Y.F, Tie, Y, Boross, P.I, Tozser, J, Ghosh, A.K, Harrison, R.W, Weber, I.T.
登録日2007-06-20
公開日2008-04-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Potent new antiviral compound shows similar inhibition and structural interactions with drug resistant mutants and wild type HIV-1 protease.
J.Med.Chem., 50, 2007
7RXV
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Human Methionine Adenosyltransferase 2A bound to Methylthioadenosine, Malonate (MLA) and MgF3
分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, ALANINE, GLYCEROL, ...
著者Fedorov, E, Niland, C.N, Schramm, V.L, Ghosh, A.
登録日2021-08-23
公開日2021-11-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献Mechanism of Triphosphate Hydrolysis by Human MAT2A at 1.07 angstrom Resolution.
J.Am.Chem.Soc., 143, 2021
7RXW
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Human Methionine Adenosyltransferase 2A bound to Methylthioadenosine and inhibitor imido-diphosphate (PNP)
分子名称: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, ALANINE, ...
著者Fedorov, E, Niland, C.N, Schramm, V.L, Ghosh, A.
登録日2021-08-23
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献Mechanism of Triphosphate Hydrolysis by Human MAT2A at 1.07 angstrom Resolution.
J.Am.Chem.Soc., 143, 2021
7RXX
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Human Methionine Adenosyltransferase 2A bound to Methylthioadenosine and two sulfate in the active site
分子名称: 1,2-ETHANEDIOL, 3,6,9,12,15-PENTAOXAHEPTADECANE, 5'-DEOXY-5'-METHYLTHIOADENOSINE, ...
著者Fedorov, E, Niland, C.N, Schramm, V.L, Ghosh, A.
登録日2021-08-23
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Mechanism of Triphosphate Hydrolysis by Human MAT2A at 1.07 angstrom Resolution.
J.Am.Chem.Soc., 143, 2021
2F8Q
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An alkali thermostable F/10 xylanase from alkalophilic Bacillus sp. NG-27
分子名称: MAGNESIUM ION, alkaline thermostable endoxylanase
著者Ramakumar, S, Manikandan, K, Bhardwaj, A, Ghosh, A, Reddy, V.S.
登録日2005-12-03
公開日2006-09-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of native and xylosaccharide-bound alkali thermostable xylanase from an alkalophilic Bacillus sp. NG-27: structural insights into alkalophilicity and implications for adaptation to polyextreme conditions.
Protein Sci., 15, 2006
2IEN
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BU of 2ien by Molmil
Crystal structure analysis of HIV-1 protease with a potent non-peptide inhibitor (UIC-94017)
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.
登録日2006-09-19
公開日2006-10-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献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
4JB3
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BU of 4jb3 by Molmil
Crystal structure of BT_0970, a had family phosphatase from bacteroides thetaiotaomicron VPI-5482, TARGET EFI-501083, with bound sodium and glycerol, closed lid, ordered loop
分子名称: GLYCEROL, Haloacid dehalogenase-like hydrolase, SODIUM ION
著者Vetting, M.W, Toro, R, Bhosle, R, Kumar, P.R, Ghosh, A, Al Obaidi, N.F, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Dunaway-Mariano, D, Allen, K.N, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2013-02-19
公開日2013-03-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of bt_0970, a had family phosphatase from bacteroides thetaiotaomicron VPI-5482, TARGET EFI-501083, with bound sodium and glycerol, closed lid, ordered loop
To be Published
2G94
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BU of 2g94 by Molmil
Crystal structure of beta-secretase bound to a potent and highly selective inhibitor.
分子名称: Beta-secretase 1, N~2~-[(2R,4S,5S)-5-{[N-{[(3,5-DIMETHYL-1H-PYRAZOL-1-YL)METHOXY]CARBONYL}-3-(METHYLSULFONYL)-L-ALANYL]AMINO}-4-HYDROXY-2,7-DIMETHYLOCTANOYL]-N-ISOBUTYL-L-VALINAMIDE
著者Hong, L, Ghosh, A, Tang, J.
登録日2006-03-05
公開日2006-04-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Design, synthesis and X-ray structure of protein-ligand complexes: important insight into selectivity of memapsin 2 (beta-secretase) inhibitors.
J.Am.Chem.Soc., 128, 2006
7RJO
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BU of 7rjo by Molmil
Crystal structure of human Bromodomain containing protein 4 (BRD4) in complex with hnRNPK
分子名称: ACETATE ION, Bromodomain-containing protein 4, GLYCEROL, ...
著者Fedorov, E, Islam, K, Ghosh, A.
登録日2021-07-21
公開日2022-08-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Uncovering the Bromodomain Interactome using Site-Specific Azide-Acetyllysine Photochemistry, Proteomic Profiling and Structural Characterization
Biorxiv, 2021
7RJQ
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BU of 7rjq by Molmil
Crystal structure of human Bromodomain containing protein 4 (BRD4) in complex with ILF3
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, CHLORIDE ION, ...
著者Fedorov, E, Islam, K, Ghosh, A.
登録日2021-07-21
公開日2022-08-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Uncovering the Bromodomain Interactome using Site-Specific Azide-Acetyllysine Photochemistry, Proteomic Profiling and Structural Characterization
To Be Published
7RJR
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BU of 7rjr by Molmil
Crystal structure of human Bromodomain containing protein 4 (BRD4) in complex with BCLTF1
分子名称: 1,2-ETHANEDIOL, Bcl-2-associated transcription factor 1, Bromodomain-containing protein 4, ...
著者Fedorov, E, Islam, K, Ghosh, A.
登録日2021-07-21
公開日2022-08-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Uncovering the Bromodomain Interactome using Site-Specific Azide-Acetyllysine Photochemistry, Proteomic Profiling and Structural Characterization
To Be Published
7RJL
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BU of 7rjl by Molmil
Crystal structure of human Bromodomain containing protein 3 (BRD3) in complex with SHMT
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 3, GLYCEROL, ...
著者Fedorov, E, Islam, K, Ghosh, A.
登録日2021-07-21
公開日2022-08-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Uncovering the Bromodomain Interactome using Site-Specific Azide-Acetyllysine Photochemistry, Proteomic Profiling and Structural Characterization
Biorxiv, 2021
7RJM
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BU of 7rjm by Molmil
Crystal structure of human Bromodomain containing protein 3 (BRD3) in complex with ILF3
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 3, Interleukin enhancer-binding factor 3
著者Fedorov, E, Islam, K, Ghosh, A.
登録日2021-07-21
公開日2022-08-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Uncovering the Bromodomain Interactome using Site-Specific Azide-Acetyllysine Photochemistry, Proteomic Profiling and Structural Characterization
Biorxiv, 2021
7RJK
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BU of 7rjk by Molmil
Crystal structure of human Bromodomain containing protein 3 (BRD3) in complex with hnRNPK
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 3, GLYCEROL, ...
著者Fedorov, E, Islam, K, Ghosh, A.
登録日2021-07-21
公開日2022-08-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Uncovering the Bromodomain Interactome using Site-Specific Azide-Acetyllysine Photochemistry, Proteomic Profiling and Structural Characterization
Biorxiv, 2021
7RJP
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BU of 7rjp by Molmil
Crystal structure of human Bromodomain containing protein 4 (BRD4) in complex with SHMT
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, CHLORIDE ION, ...
著者Fedorov, E, Islam, K, Ghosh, A.
登録日2021-07-21
公開日2022-08-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Uncovering the Bromodomain Interactome using Site-Specific Azide-Acetyllysine Photochemistry, Proteomic Profiling and Structural Characterization
To Be Published
3RYD
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BU of 3ryd by Molmil
Crystal structure of Ca bound IMPase family protein from Staphylococcus aureus
分子名称: CALCIUM ION, Inositol monophosphatase family protein, POTASSIUM ION, ...
著者Bhattacharyya, S, Dutta, D, Ghosh, A.K, Das, A.K.
登録日2011-05-11
公開日2012-01-18
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Crystal structure of Staphylococcal dual specific inositol monophosphatase/NADP(H) phosphatase (SAS2203) delineates the molecular basis of substrate specificity
Biochimie, 94, 2012
4I8Z
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BU of 4i8z by Molmil
Crystal structure of wild type HIV-1 protease in complex with non-peptidic inhibitor, GRL008
分子名称: (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
著者Yedidi, R.S, Palmer, I, Das, D, Wingfield, P.T, Ghosh, A.K, Mitsuya, H.
登録日2012-12-04
公開日2013-07-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献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
3P7X
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Crystal structure of an atypical two-cysteine peroxiredoxin (SAOUHSC_01822) from Staphylococcus aureus NCTC8325
分子名称: (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, Probable thiol peroxidase, ...
著者Bhattacharyya, S, Dutta, D, Ghosh, A.K, Das, A.K.
登録日2010-10-13
公開日2011-10-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献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
分子名称: Inositol monophosphatase family protein, SULFATE ION
著者Bhattacharyya, S, Dutta, D, Ghosh, A.K, Das, A.K.
登録日2011-02-04
公開日2012-01-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of Staphylococcal dual specific inositol monophosphatase/NADP(H) phosphatase (SAS2203) delineates the molecular basis of substrate specificity
Biochimie, 94, 2012

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