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5E0O
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BU of 5e0o by Molmil
Brugia malayi Trehalose-6 Phosphate Phosphatase in complex with PEG at the active site.
分子名称: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, SULFATE ION, ...
著者Agarwal, A, Misra-Bhattacharya, S, Ravishankar, R.
登録日2015-09-29
公開日2015-10-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Brugia malayi Trehalose Phosphate Phosphatase in complex with PEG at the active site
To Be Published, 2015
7ESS
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BU of 7ess by Molmil
Structure-guided studies of the Holliday junction resolvase RuvX provide novel insights into ATP-stimulated cleavage of branched DNA and RNA substrates
分子名称: Putative pre-16S rRNA nuclease
著者Thakur, M, Mohan, D, Singh, A.K, Agarwal, A, Gopal, B, Muniyappa, K.
登録日2021-05-11
公開日2021-05-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Novel insights into ATP-Stimulated Cleavage of branched DNA and RNA Substrates through Structure-Guided Studies of the Holliday Junction Resolvase RuvX.
J.Mol.Biol., 433, 2021
2GC8
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BU of 2gc8 by Molmil
Structure of a Proline Sulfonamide Inhibitor Bound to HCV NS5b Polymerase
分子名称: 1-[(2-AMINO-4-CHLORO-5-METHYLPHENYL)SULFONYL]-L-PROLINE, RNA-directed RNA polymerase
著者Gopalsamy, A, Chopra, R, Lim, K, Ciszewski, G, Shi, M, Curran, K.J, Sukits, S.F, Svenson, K, Bard, J, Ellingboe, J.W, Agarwal, A, Krishnamurthy, G, Howe, A.Y, Orlowski, M, Feld, B, O'connell, J, Mansour, T.S.
登録日2006-03-13
公開日2006-06-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of Proline Sulfonamides as Potent and Selective Hepatitis C Virus NS5b Polymerase Inhibitors. Evidence for a New NS5b Polymerase Binding Site.
J.Med.Chem., 49, 2006
2A6I
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BU of 2a6i by Molmil
Crystal structure analysis of the anti-arsonate germline antibody 36-65 in complex with a phage display derived dodecapeptide KLASIPTHTSPL
分子名称: Dodecapeptide: KLASIPTHTSPL, Germline antibody 36-65 Fab heavy chain, Germline antibody 36-65 Fab light chain
著者Sethi, D.K, Agarwal, A, Manivel, V, Rao, K.V, Salunke, D.M.
登録日2005-07-02
公開日2006-06-13
最終更新日2018-03-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Differential epitope positioning within the germline antibody paratope enhances promiscuity in the primary immune response.
Immunity, 24, 2006
2A6D
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BU of 2a6d by Molmil
Crystal structure analysis of the anti-arsonate germline antibody 36-65 in complex with a phage display derived dodecapeptide RLLIADPPSPRE
分子名称: Dodecapeptide, RLLIADPPSPRE, Germline antibody 36-65 Fab Heavy chain, ...
著者Sethi, D.K, Agarwal, A, Manivel, V, Rao, K.V, Salunke, D.M.
登録日2005-07-02
公開日2006-06-13
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Differential epitope positioning within the germline antibody paratope enhances promiscuity in the primary immune response.
Immunity, 24, 2006
2A6K
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BU of 2a6k by Molmil
Crystal Structure Analysis of the germline antibody 36-65 Fab in complex with the dodecapeptide SLGDNLTNHNLR
分子名称: DODECAPEPTIDE: SLGDNLTNHNLR, Germline antibody 36-65 Fab heavy chain, Germline antibody 36-65 Fab light chain
著者Sethi, D.K, Agarwal, A, Manivel, V, Rao, K.V, Salunke, D.M.
登録日2005-07-03
公開日2006-06-13
最終更新日2018-03-21
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Differential epitope positioning within the germline antibody paratope enhances promiscuity in the primary immune response.
Immunity, 24, 2006
7U9G
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BU of 7u9g by Molmil
Rabies virus glycoprotein pre-fusion trimer in complex with neutralizing antibody RVA122
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein, RVA122 Fab Heavy Chain, ...
著者Callaway, H.M, Zyla, D, Larrous, F, Dias de Melo, G, Hastie, K.M, Avalos, R.D, Agarwal, A, Bouhry, H, Corti, D, Saphire, E.O.
登録日2022-03-10
公開日2022-07-20
実験手法ELECTRON MICROSCOPY (3.39 Å)
主引用文献Structure of the rabies virus glycoprotein trimer bound to a prefusion-specific neutralizing antibody.
Sci Adv, 8, 2022
2A6J
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BU of 2a6j by Molmil
Crystal structure analysis of the anti-arsonate germline antibody 36-65
分子名称: Germline antibody 36-65 Fab heavy chain, Germline antibody 36-65 Fab light chain
著者Sethi, D.K, Agarwal, A, Manivel, V, Rao, K.V, Salunke, D.M.
登録日2005-07-02
公開日2006-06-13
最終更新日2018-03-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Differential epitope positioning within the germline antibody paratope enhances promiscuity in the primary immune response.
Immunity, 24, 2006
7T3F
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BU of 7t3f by Molmil
Development of BRD4 inhibitors as arsenicals antidotes
分子名称: 4-fluoro-3-methyl-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzene-1-sulfonamide, Bromodomain-containing protein 4, GLYCEROL
著者Wu, M, Yatchang, M, Mathew, B, Zhai, L, Ruiz, P, Bostwick, R, Augelli-Szafran, C.E, Suto, M.J.
登録日2021-12-07
公開日2022-08-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Development of BRD4 inhibitors as anti-inflammatory agents and antidotes for arsenicals.
Bioorg.Med.Chem.Lett., 64, 2022
5VGA
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BU of 5vga by Molmil
Alternative model for Fab 36-65
分子名称: Fab 36-65 heavy chain, Fab 36-65 light chain, TRIETHYLENE GLYCOL
著者Stanfield, R.L, Rupp, B, Wlodawer, A, Dauter, Z, Porebski, P.J, Minor, W, Jaskolski, M, Pozharski, E, Weichenberger, C.X.
登録日2017-04-10
公開日2017-12-06
最終更新日2022-04-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Detect, correct, retract: How to manage incorrect structural models.
FEBS J., 285, 2018
1Q2Q
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BU of 1q2q by Molmil
Enterobacter cloacae GC1 class C beta-lactamase complexed with penem WAY185229
分子名称: (6,7-DIHYDRO-5H-CYCLOPENTA[D]IMIDAZO[2,1-B]THIAZOL-2-YL]-4,7-DIHYDRO[1,4]THIAZEPINE-3,6-DICARBOXYLIC ACID, GLYCEROL, class C beta-lactamase
著者Nukaga, M, Venkatesan, A.M, Mansour, T.S, Hujer, A, Bonomo, R.A, Knox, J.R.
登録日2003-07-25
公開日2004-09-14
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure-activity relationship of 6-methylidene penems bearing tricyclic heterocycles as broad-spectrum beta-lactamase inhibitors: crystallographic structures show unexpected binding of 1,4-thiazepine intermediates
J.Med.Chem., 47, 2004
1Q2P
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SHV-1 class A beta-lactamase complexed with penem WAY185229
分子名称: (6,7-DIHYDRO-5H-CYCLOPENTA[D]IMIDAZO[2,1-B]THIAZOL-2-YL]-4,7-DIHYDRO[1,4]THIAZEPINE-3,6-DICARBOXYLIC ACID, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, beta-lactamase SHV-1
著者Nukaga, M, Venkatesan, A.M, Mansour, T.S, Hujer, A, Bonomo, R.A, Knox, J.R.
登録日2003-07-25
公開日2004-09-14
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-activity relationship of 6-methylidene penems bearing tricyclic heterocycles as broad-spectrum beta-lactamase inhibitors: crystallographic structures show unexpected binding of 1,4-thiazepine intermediates
J.Med.Chem., 47, 2004
6VC8
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BU of 6vc8 by Molmil
Crystal structure of wild-type KRAS4b(1-169) in complex with GMPPNP and Mg ion
分子名称: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
著者Tran, T.H, Davies, D.R, Edwards, T.E, Simanshu, D.K.
登録日2019-12-20
公開日2021-02-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Machine learning-driven multiscale modeling reveals lipid-dependent dynamics of RAS signaling proteins.
Proc.Natl.Acad.Sci.USA, 119, 2022
2JJF
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N328A mutant of M. tuberculosis Rv3290c
分子名称: L-LYSINE EPSILON AMINOTRANSFERASE
著者tripathi, S.M, Ramachandran, R.
登録日2008-04-04
公開日2009-06-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Mutational Analysis of Mycobacterium Tuberculosis Lysine Epsilon-Aminotransferase and Inhibitor Co-Crystal Structures, Reveals Distinct Binding Modes.
Biochem.Biophys.Res.Commun., 463, 2015
2JJH
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E243 mutant of M. tuberculosis Rv3290C
分子名称: 2-OXOGLUTARIC ACID, L-LYSINE EPSILON AMINOTRANSFERASE, PYRIDOXAL-5'-PHOSPHATE
著者Tripathi, S.M, Ramachandran, R.
登録日2008-04-04
公開日2009-06-30
最終更新日2020-01-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Mutational Analysis of Mycobacterium Tuberculosis Lysine Epsilon-Aminotransferase and Inhibitor Co-Crystal Structures, Reveals Distinct Binding Modes.
Biochem.Biophys.Res.Commun., 463, 2015
2JJG
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Crystal structure of the M. tuberculosis Lysine-epsilon aminotransferase (Rv3290c) complexed to an inhibitor
分子名称: (2S)-1-methyl-2-[(2S,4R)-2-methyl-4-phenylpentyl]piperidine, L-LYSINE EPSILON AMINOTRANSFERASE, PYRIDOXAL-5'-PHOSPHATE
著者Tripathi, S.M, Ramachandran, R.
登録日2008-04-04
公開日2009-06-30
最終更新日2017-01-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Mutational Analysis of Mycobacterium Tuberculosis Lysine Epsilon-Aminotransferase and Inhibitor Co-Crystal Structures, Reveals Distinct Binding Modes.
Biochem.Biophys.Res.Commun., 463, 2015
2JJE
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Crystal structure of T330S mutant of Rv3290c from M. tuberculosis
分子名称: L-LYSINE EPSILON AMINOTRANSFERASE, PYRIDOXAL-5'-PHOSPHATE
著者Tripathi, S.M, Ramachandran, R.
登録日2008-04-03
公開日2009-06-30
最終更新日2020-01-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Mutational Analysis of Mycobacterium Tuberculosis Lysine Epsilon-Aminotransferase and Inhibitor Co-Crystal Structures, Reveals Distinct Binding Modes.
Biochem.Biophys.Res.Commun., 463, 2015
2QE5
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Structure of HCV NS5B Bound to an Anthranilic Acid Inhibitor
分子名称: 2-{[(4-CHLOROPHENOXY)ACETYL]AMINO}BENZOIC ACID, RNA-directed RNA polymerase
著者Chopra, R, Svenson, K, Bard, J.
登録日2007-06-22
公開日2007-10-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Identification of Anthranilic Acid Derivatives as a Novel Class of Allosteric Inhibitors of Hepatitis C NS5B Polymerase
J.Med.Chem., 50, 2007
2QE2
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Structure of HCV NS5B Bound to an Anthranilic Acid Inhibitor
分子名称: 2-{[N-(2-ACETYL-5-CHLORO-4-FLUOROPHENYL)GLYCYL]AMINO}BENZOIC ACID, RNA-directed RNA polymerase
著者Chopra, R, Svenson, K, Bard, J.
登録日2007-06-22
公開日2007-10-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Identification of Anthranilic Acid Derivatives as a Novel Class of Allosteric Inhibitors of Hepatitis C NS5B Polymerase
J.Med.Chem., 50, 2007

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