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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.
Descriptor: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, SULFATE ION, ...
Authors:Agarwal, A, Misra-Bhattacharya, S, Ravishankar, R.
Deposit date:2015-09-29
Release date:2015-10-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3 Å)
Cite: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
Descriptor: Putative pre-16S rRNA nuclease
Authors:Thakur, M, Mohan, D, Singh, A.K, Agarwal, A, Gopal, B, Muniyappa, K.
Deposit date:2021-05-11
Release date:2021-05-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.93 Å)
Cite: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
7U9G
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BU of 7u9g by Molmil
Rabies virus glycoprotein pre-fusion trimer in complex with neutralizing antibody RVA122
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein, RVA122 Fab Heavy Chain, ...
Authors: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.
Deposit date:2022-03-10
Release date:2022-07-20
Method:ELECTRON MICROSCOPY (3.39 Å)
Cite: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
Descriptor: Germline antibody 36-65 Fab heavy chain, Germline antibody 36-65 Fab light chain
Authors:Sethi, D.K, Agarwal, A, Manivel, V, Rao, K.V, Salunke, D.M.
Deposit date:2005-07-02
Release date:2006-06-13
Last modified:2018-03-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: Dodecapeptide, RLLIADPPSPRE, Germline antibody 36-65 Fab Heavy chain, ...
Authors:Sethi, D.K, Agarwal, A, Manivel, V, Rao, K.V, Salunke, D.M.
Deposit date:2005-07-02
Release date:2006-06-13
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Differential epitope positioning within the germline antibody paratope enhances promiscuity in the primary immune response.
Immunity, 24, 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
Descriptor: Dodecapeptide: KLASIPTHTSPL, Germline antibody 36-65 Fab heavy chain, Germline antibody 36-65 Fab light chain
Authors:Sethi, D.K, Agarwal, A, Manivel, V, Rao, K.V, Salunke, D.M.
Deposit date:2005-07-02
Release date:2006-06-13
Last modified:2018-03-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: DODECAPEPTIDE: SLGDNLTNHNLR, Germline antibody 36-65 Fab heavy chain, Germline antibody 36-65 Fab light chain
Authors:Sethi, D.K, Agarwal, A, Manivel, V, Rao, K.V, Salunke, D.M.
Deposit date:2005-07-03
Release date:2006-06-13
Last modified:2018-03-21
Method:X-RAY DIFFRACTION (3 Å)
Cite:Differential epitope positioning within the germline antibody paratope enhances promiscuity in the primary immune response.
Immunity, 24, 2006
2GC8
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BU of 2gc8 by Molmil
Structure of a Proline Sulfonamide Inhibitor Bound to HCV NS5b Polymerase
Descriptor: 1-[(2-AMINO-4-CHLORO-5-METHYLPHENYL)SULFONYL]-L-PROLINE, RNA-directed RNA polymerase
Authors: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.
Deposit date:2006-03-13
Release date:2006-06-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
1Q2P
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BU of 1q2p by Molmil
SHV-1 class A beta-lactamase complexed with penem WAY185229
Descriptor: (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
Authors:Nukaga, M, Venkatesan, A.M, Mansour, T.S, Hujer, A, Bonomo, R.A, Knox, J.R.
Deposit date:2003-07-25
Release date:2004-09-14
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
1Q2Q
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BU of 1q2q by Molmil
Enterobacter cloacae GC1 class C beta-lactamase complexed with penem WAY185229
Descriptor: (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
Authors:Nukaga, M, Venkatesan, A.M, Mansour, T.S, Hujer, A, Bonomo, R.A, Knox, J.R.
Deposit date:2003-07-25
Release date:2004-09-14
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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
5VGA
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BU of 5vga by Molmil
Alternative model for Fab 36-65
Descriptor: Fab 36-65 heavy chain, Fab 36-65 light chain, TRIETHYLENE GLYCOL
Authors:Stanfield, R.L, Rupp, B, Wlodawer, A, Dauter, Z, Porebski, P.J, Minor, W, Jaskolski, M, Pozharski, E, Weichenberger, C.X.
Deposit date:2017-04-10
Release date:2017-12-06
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Detect, correct, retract: How to manage incorrect structural models.
FEBS J., 285, 2018
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
Descriptor: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
Authors:Tran, T.H, Davies, D.R, Edwards, T.E, Simanshu, D.K.
Deposit date:2019-12-20
Release date:2021-02-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Machine learning-driven multiscale modeling reveals lipid-dependent dynamics of RAS signaling proteins.
Proc.Natl.Acad.Sci.USA, 119, 2022
2QE5
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BU of 2qe5 by Molmil
Structure of HCV NS5B Bound to an Anthranilic Acid Inhibitor
Descriptor: 2-{[(4-CHLOROPHENOXY)ACETYL]AMINO}BENZOIC ACID, RNA-directed RNA polymerase
Authors:Chopra, R, Svenson, K, Bard, J.
Deposit date:2007-06-22
Release date:2007-10-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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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BU of 2qe2 by Molmil
Structure of HCV NS5B Bound to an Anthranilic Acid Inhibitor
Descriptor: 2-{[N-(2-ACETYL-5-CHLORO-4-FLUOROPHENYL)GLYCYL]AMINO}BENZOIC ACID, RNA-directed RNA polymerase
Authors:Chopra, R, Svenson, K, Bard, J.
Deposit date:2007-06-22
Release date:2007-10-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Identification of Anthranilic Acid Derivatives as a Novel Class of Allosteric Inhibitors of Hepatitis C NS5B Polymerase
J.Med.Chem., 50, 2007
7T3F
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BU of 7t3f by Molmil
Development of BRD4 inhibitors as arsenicals antidotes
Descriptor: 4-fluoro-3-methyl-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzene-1-sulfonamide, Bromodomain-containing protein 4, GLYCEROL
Authors:Wu, M, Yatchang, M, Mathew, B, Zhai, L, Ruiz, P, Bostwick, R, Augelli-Szafran, C.E, Suto, M.J.
Deposit date:2021-12-07
Release date:2022-08-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Development of BRD4 inhibitors as anti-inflammatory agents and antidotes for arsenicals.
Bioorg.Med.Chem.Lett., 64, 2022
2JJF
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N328A mutant of M. tuberculosis Rv3290c
Descriptor: L-LYSINE EPSILON AMINOTRANSFERASE
Authors:tripathi, S.M, Ramachandran, R.
Deposit date:2008-04-04
Release date:2009-06-30
Last modified:2017-01-25
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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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BU of 2jjh by Molmil
E243 mutant of M. tuberculosis Rv3290C
Descriptor: 2-OXOGLUTARIC ACID, L-LYSINE EPSILON AMINOTRANSFERASE, PYRIDOXAL-5'-PHOSPHATE
Authors:Tripathi, S.M, Ramachandran, R.
Deposit date:2008-04-04
Release date:2009-06-30
Last modified:2020-01-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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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BU of 2jje by Molmil
Crystal structure of T330S mutant of Rv3290c from M. tuberculosis
Descriptor: L-LYSINE EPSILON AMINOTRANSFERASE, PYRIDOXAL-5'-PHOSPHATE
Authors:Tripathi, S.M, Ramachandran, R.
Deposit date:2008-04-03
Release date:2009-06-30
Last modified:2020-01-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: (2S)-1-methyl-2-[(2S,4R)-2-methyl-4-phenylpentyl]piperidine, L-LYSINE EPSILON AMINOTRANSFERASE, PYRIDOXAL-5'-PHOSPHATE
Authors:Tripathi, S.M, Ramachandran, R.
Deposit date:2008-04-04
Release date:2009-06-30
Last modified:2017-01-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Mutational Analysis of Mycobacterium Tuberculosis Lysine Epsilon-Aminotransferase and Inhibitor Co-Crystal Structures, Reveals Distinct Binding Modes.
Biochem.Biophys.Res.Commun., 463, 2015

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