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2VRO
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BU of 2vro by Molmil
Crystal structure of aldehyde dehydrogenase from Burkholderia xenovorans LB400
Descriptor: 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ALDEHYDE DEHYDROGENASE, HEXAETHYLENE GLYCOL, ...
Authors:Bains, J, Boulanger, M.J.
Deposit date:2008-04-09
Release date:2008-04-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and Biochemical Characterization of a Novel Aldehyde Dehydrogenase Encoded by the Benzoate Oxidation (Box) Pathway in Burkholderia Xenovorans Lb400
J.Mol.Biol., 379, 2008
3CB7
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BU of 3cb7 by Molmil
The crystallographic structure of the digestive lysozyme 2 from Musca domestica at 1.9 Ang.
Descriptor: ACETIC ACID, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Cancado, F.C, Valerio, A.A, Marana, S.R, Barbosa, J.A.R.G.
Deposit date:2008-02-21
Release date:2009-02-24
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The crystallographic structure of the digestive lysozyme 2 from Musca domestica at 1.9 Ang.
To be Published
3AAX
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BU of 3aax by Molmil
Crystal structure of probable thiosulfate sulfurtransferase cysa3 (RV3117) from Mycobacterium tuberculosis: monoclinic FORM
Descriptor: Putative thiosulfate sulfurtransferase
Authors:Sankaranarayanan, R, Witholt, S.J, Cherney, M.M, Garen, C.R, Cherney, L.T, James, M.N.G, TB Structural Genomics Consortium (TBSGC)
Deposit date:2009-11-28
Release date:2009-12-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The crystal structure of probable thiosulfate sulfurtransferase CysA3 (Rv3117) from Mycobacterium tuberculosis
To be Published
3IMV
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BU of 3imv by Molmil
Transthyretin in complex with (E)-4-(4-aminostyryl)-2,6-dibromoaniline
Descriptor: 4-[(E)-2-(4-aminophenyl)ethenyl]-2,6-dibromoaniline, Transthyretin
Authors:Connelly, S, Wilson, I.A.
Deposit date:2009-08-11
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:A substructure combination strategy to create potent and selective transthyretin kinetic stabilizers that prevent amyloidogenesis and cytotoxicity.
J.Am.Chem.Soc., 132, 2010
3AAY
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BU of 3aay by Molmil
Crystal structure of probable thiosulfate sulfurtransferase CYSA3 (RV3117) from Mycobacterium tuberculosis: orthorhombic form
Descriptor: GLYCEROL, Putative thiosulfate sulfurtransferase, SULFATE ION
Authors:Sankaranarayanan, R, Witholt, S.J, Cherney, M.M, Garen, C.R, Cherney, L.T, James, M.N.G, TB Structural Genomics Consortium (TBSGC)
Deposit date:2009-11-28
Release date:2009-12-08
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The crystal structure of probable thiosulfate sulfurtransferase CysA3 (Rv3117) from Mycobacterium tuberculosis
To be Published
2QI0
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BU of 2qi0 by Molmil
Crystal structure of protease inhibitor, MIT-1-KK80 in complex with wild type HIV-1 protease
Descriptor: N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[(3-METHOXYPHENYL)SULFONYL](2-THIENYLMETHYL)AMINO}PROPYL]-3-FLUORO-2-METHYLBENZAMIDE, PHOSPHATE ION, Protease
Authors:Schiffer, C.A, Nalam, M.N.L.
Deposit date:2007-07-03
Release date:2008-04-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:HIV-1 protease inhibitors from inverse design in the substrate envelope exhibit subnanomolar binding to drug-resistant variants.
J.Am.Chem.Soc., 130, 2008
2QI7
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BU of 2qi7 by Molmil
Crystal structure of protease inhibitor, MIT-2-AD86 in complex with wild type HIV-1 protease
Descriptor: ACETATE ION, N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[(4-METHOXYPHENYL)SULFONYL][(2S)-2-METHYLBUTYL]AMINO}PROPYL]-4-OXOHEXANAMIDE, PHOSPHATE ION, ...
Authors:Schiffer, C.A, Nalam, M.N.L.
Deposit date:2007-07-03
Release date:2008-04-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:HIV-1 protease inhibitors from inverse design in the substrate envelope exhibit subnanomolar binding to drug-resistant variants.
J.Am.Chem.Soc., 130, 2008
3D7P
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BU of 3d7p by Molmil
Crystal structure of human Transthyretin (TTR) at pH 4.0
Descriptor: Transthyretin
Authors:Palaninathan, S.K, Mohamedmohaideen, N.N, Snee, W.C, Kelly, J.W, Sacchettini, J.C.
Deposit date:2008-05-21
Release date:2008-08-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structural insight into pH-induced conformational changes within the native human transthyretin tetramer.
J.Mol.Biol., 382, 2008
3CBR
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BU of 3cbr by Molmil
Crystal structure of human Transthyretin (TTR) at pH3.5
Descriptor: Transthyretin
Authors:Mohamedmohaideen, N.N, Palaninathan, S.K, Snee, W.C, Kelly, J.W, C Sacchettini, J.
Deposit date:2008-02-22
Release date:2008-08-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural insight into pH-induced conformational changes within the native human transthyretin tetramer.
J.Mol.Biol., 382, 2008
2RL3
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BU of 2rl3 by Molmil
Crystal structure of the OXA-10 W154H mutant at pH 7
Descriptor: 1,2-ETHANEDIOL, Beta-lactamase PSE-2, GLYCEROL, ...
Authors:Vercheval, L, Kerff, F, Herman, R, Sauvage, E, Guiet, R, Charlier, P, Frere, J.-M, Galleni, M.
Deposit date:2007-10-18
Release date:2008-10-28
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Critical role of tryptophan 154 for the activity and stability of class D beta-lactamases.
Biochemistry, 48, 2009
2PB0
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BU of 2pb0 by Molmil
Structure of biosynthetic N-acetylornithine aminotransferase from Salmonella typhimurium: studies on substrate specificity and inhibitor binding
Descriptor: 1,2-ETHANEDIOL, Acetylornithine/succinyldiaminopimelate aminotransferase, PYRIDOXAL-5'-PHOSPHATE
Authors:Rajaram, V, Ratna Prasuna, P, Savithri, H.S, Murthy, M.R.N.
Deposit date:2007-03-28
Release date:2007-12-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structure of biosynthetic N-acetylornithine aminotransferase from Salmonella typhimurium: Studies on substrate specificity and inhibitor binding
Proteins, 70, 2007
5U28
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BU of 5u28 by Molmil
BRD4 first bromodomain (BD1) in complex with dual PI3 kinase inhibitor SF2523
Descriptor: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(morpholin-4-yl)-7H-thieno[3,2-b]pyran-7-one, Bromodomain-containing protein 4, DI(HYDROXYETHYL)ETHER, ...
Authors:Andrews, F.H, Kutateladze, T.G.
Deposit date:2016-11-30
Release date:2017-02-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:Dual-activity PI3K-BRD4 inhibitor for the orthogonal inhibition of MYC to block tumor growth and metastasis.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5U2F
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BU of 5u2f by Molmil
BRD4 first bromodomain (BD1) in complex with dual PI3 kinase (PI3K) inhibitor SF2558HA
Descriptor: Bromodomain-containing protein 4, N-hydroxy-4-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]benzamide
Authors:Andrews, F.H, Kutateladze, T.G.
Deposit date:2016-11-30
Release date:2017-02-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.525 Å)
Cite:Dual-activity PI3K-BRD4 inhibitor for the orthogonal inhibition of MYC to block tumor growth and metastasis.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5U2E
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BU of 5u2e by Molmil
BRD4 first bromodomain (BD1) in complex with dual PI3 kinase (PI3K) inhibitor SF2535
Descriptor: Bromodomain-containing protein 4, ethyl 4-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]benzoate
Authors:Andrews, F.H, Kutateladze, T.G.
Deposit date:2016-11-30
Release date:2017-02-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.991 Å)
Cite:Dual-activity PI3K-BRD4 inhibitor for the orthogonal inhibition of MYC to block tumor growth and metastasis.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3USR
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BU of 3usr by Molmil
Structure of Y194F glycogenin mutant truncated at residue 270
Descriptor: CHLORIDE ION, GLYCEROL, Glycogenin-1
Authors:Issoglio, F.M, Carrizo, M.E, Romero, J.M, Curtino, J.A.
Deposit date:2011-11-23
Release date:2011-12-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mechanisms of monomeric and dimeric glycogenin autoglucosylation.
J.Biol.Chem., 287, 2012
3USQ
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BU of 3usq by Molmil
Structure of D159S/Y194F glycogenin mutant truncated at residue 270
Descriptor: CHLORIDE ION, GLYCEROL, Glycogenin-1
Authors:Issoglio, F.M, Carrizo, M.E, Romero, J.M, Curtino, J.A.
Deposit date:2011-11-23
Release date:2011-12-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Mechanisms of monomeric and dimeric glycogenin autoglucosylation.
J.Biol.Chem., 287, 2012
4B1C
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BU of 4b1c by Molmil
New Aminoimidazoles as BACE-1 Inhibitors: From Rational Design to Ab- lowering in Brain
Descriptor: (2R)-2-cyclopropyl-5-methyl-2-[3-(5-prop-1-yn-1-ylpyridin-3-yl)phenyl]-2H-imidazol-4-amine, BETA-SECRETASE 1, DIMETHYL SULFOXIDE
Authors:Rahm, F, Blid, J, Ginman, T, Karlstrom, S, Kihlstrom, J, Kolmodin, K, Lindstrom, J, von Berg, S, von Kieseritzky, F, Slivo, C, Swahn, B, Viklund, J, Olsson, L, Johansson, P, Eketjall, S, Falting, J, Jeppsson, F, Stromberg, K, Janson, J, Gravenfors, Y.
Deposit date:2012-07-10
Release date:2012-10-10
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:New aminoimidazoles as beta-secretase (BACE-1) inhibitors showing amyloid-beta (A beta ) lowering in brain.
J. Med. Chem., 55, 2012
4AO6
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BU of 4ao6 by Molmil
Native structure of a novel cold-adapted esterase from an Arctic intertidal metagenomic library
Descriptor: ESTERASE
Authors:Fu, J, Leiros, H.-K.S, Pascale, D.d, Johnson, K.A, Blencke, H.M, Landfald, B.
Deposit date:2012-03-23
Release date:2012-08-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Functional and Structural Studies of a Novel Cold-Adapted Esterase from an Arctic Intertidal Metagenomic Library.
Appl.Microbiol.Biotechnol., 97, 2013
4AO7
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BU of 4ao7 by Molmil
Zinc bound structure of a novel cold-adapted esterase from an Arctic intertidal metagenomic library
Descriptor: ESTERASE, ZINC ION
Authors:Fu, J, Leiros, H.-K.S, Pascale, D.d, Johnson, K.A, Blencke, H.M, Landfald, B.
Deposit date:2012-03-23
Release date:2012-08-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Functional and Structural Studies of a Novel Cold-Adapted Esterase from an Arctic Intertidal Metagenomic Library.
Appl.Microbiol.Biotechnol., 97, 2013
4C1K
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BU of 4c1k by Molmil
Crystal structure of pyrococcus furiosus 3-deoxy-D-arabino- heptulosonate 7-phosphate synthase
Descriptor: 2-DEHYDRO-3-DEOXYPHOSPHOHEPTONATE ALDOLASE, CADMIUM ION, CARBONATE ION, ...
Authors:Nazmi, A.R, Schofield, L.R, Dobson, R.C.J, Jameson, G.B, Parker, E.J.
Deposit date:2013-08-13
Release date:2013-11-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Destabilization of the Homotetrameric Assembly of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase from the Hyperthermophile Pyrococcus Furiosus Enhances Enzymatic Activity
J.Mol.Biol., 426, 2014
4AO8
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BU of 4ao8 by Molmil
PEG-bound complex of a novel cold-adapted esterase from an Arctic intertidal metagenomic library
Descriptor: DI(HYDROXYETHYL)ETHER, ESTERASE
Authors:Fu, J, Leiros, H.-K.S, Pascale, D.d, Johnson, K.A, Blencke, H.M, Landfald, B.
Deposit date:2012-03-23
Release date:2012-08-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Functional and Structural Studies of a Novel Cold-Adapted Esterase from an Arctic Intertidal Metagenomic Library.
Appl.Microbiol.Biotechnol., 97, 2013
4C1L
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BU of 4c1l by Molmil
Crystal structure of pyrococcus furiosus 3-deoxy-D-arabino- heptulosonate 7-phosphate synthase I181D interface mutant
Descriptor: 2-dehydro-3-deoxyphosphoheptonate aldolase, CHLORIDE ION, MANGANESE (II) ION, ...
Authors:Nazmi, A.R, Schofield, L.R, Dobson, R.C.J, Jameson, G.B, Parker, E.J.
Deposit date:2013-08-13
Release date:2013-11-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Destabilization of the homotetrameric assembly of 3-deoxy-D-arabino-heptulosonate-7-phosphate synthase from the hyperthermophile Pyrococcus furiosus enhances enzymatic activity.
J. Mol. Biol., 426, 2014
3U1H
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BU of 3u1h by Molmil
Crystal structure of IPMDH from the last common ancestor of Bacillus
Descriptor: 3-isopropylmalate dehydrogenase
Authors:Haaning, S, Hobbs, J.K, Monk, C.R, Arcus, V.L.
Deposit date:2011-09-29
Release date:2011-11-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:On the Origin and Evolution of Thermophily: Reconstruction of Functional Precambrian Enzymes from Ancestors of Bacillus
MOL.BIOL.EVOL., 2011
3V8Z
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BU of 3v8z by Molmil
Structure of apo-glycogenin truncated at residue 270 complexed with UDP
Descriptor: CHLORIDE ION, GLYCEROL, Glycogenin-1, ...
Authors:Carrizo, M.E, Romero, J.M, Issoglio, F.M, Curtino, J.A.
Deposit date:2011-12-23
Release date:2012-01-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and biochemical insight into glycogenin inactivation by the glycogenosis-causing T82M mutation.
Febs Lett., 586, 2012
3V90
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BU of 3v90 by Molmil
Structure of T82M glycogenin mutant truncated at residue 270
Descriptor: CHLORIDE ION, GLYCEROL, Glycogenin-1
Authors:Carrizo, M.E, Romero, J.M, Issoglio, F.M, Curtino, J.A.
Deposit date:2011-12-23
Release date:2012-01-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and biochemical insight into glycogenin inactivation by the glycogenosis-causing T82M mutation.
Febs Lett., 586, 2012

238582

数据于2025-07-09公开中

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