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3IMP
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BU of 3imp by Molmil
New crystal form of the C-terminal domain of Helicobacter pylori MotB (residues 125-256)
Descriptor: CHLORIDE ION, Chemotaxis protein motB, NICKEL (II) ION
Authors:Roujeinikova, A.
Deposit date:2009-08-11
Release date:2010-08-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystallographic and Molecular Dynamics Analysis of Loop Motions Unmasking the Peptidoglycan-Binding Site in Stator Protein MotB of Flagellar Motor
Plos One, 6, 2011
4WY9
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BU of 4wy9 by Molmil
Crystal structure of the periplasmic sensory domain of the Campylobacter jejuni chemoreceptor Tlp1
Descriptor: ACETATE ION, CHLORIDE ION, Putative MCP-type signal transduction protein
Authors:Roujeinikova, A, Machuca, M.A, Liu, Y.C.
Deposit date:2014-11-17
Release date:2016-03-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The crystal structure of the tandem-PAS sensing domain of Campylobacter jejuni chemoreceptor Tlp1 suggests indirect mechanism of ligand recognition.
J.Struct.Biol., 194, 2016
4XMR
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BU of 4xmr by Molmil
Crystal structure of the sensory domain of the Campylobacter jejuni chemoreceptor Tlp3 (CcmL) with isoleucine bound.
Descriptor: ISOLEUCINE, Putative methyl-accepting chemotaxis signal transduction protein, SULFATE ION
Authors:Roujeinikova, A, Liu, Y.C, Machuca, M.A.
Deposit date:2015-01-15
Release date:2015-11-04
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural basis for amino-acid recognition and transmembrane signalling by tandem Per-Arnt-Sim (tandem PAS) chemoreceptor sensory domains.
Acta Crystallogr.,Sect.D, 71, 2015
4XMQ
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BU of 4xmq by Molmil
Crystal structure of the sensory domain of the Campylobacter jejuni chemoreceptor Tlp3 (CcmL)
Descriptor: Putative methyl-accepting chemotaxis signal transduction protein, SULFATE ION
Authors:Roujeinikova, A, Liu, Y.C, Machuca, M.A.
Deposit date:2015-01-15
Release date:2015-11-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis for amino-acid recognition and transmembrane signalling by tandem Per-Arnt-Sim (tandem PAS) chemoreceptor sensory domains.
Acta Crystallogr.,Sect.D, 71, 2015
4YGF
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BU of 4ygf by Molmil
Crystal structure of the complex of Helicobacter pylori alpha-Carbonic Anhydrase with acetazolamide
Descriptor: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Alpha-carbonic anhydrase, CHLORIDE ION, ...
Authors:Roujeinikova, A, Modak, J.K.
Deposit date:2015-02-26
Release date:2015-07-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis for the Inhibition of Helicobacter pylori alpha-Carbonic Anhydrase by Sulfonamides.
Plos One, 10, 2015
4YHA
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BU of 4yha by Molmil
Crystal structure of the complex of Helicobacter pylori alpha-Carbonic Anhydrase with methazolamide
Descriptor: Alpha-carbonic anhydrase, CHLORIDE ION, GLYCEROL, ...
Authors:Roujeinikova, A, Modak, J.K.
Deposit date:2015-02-27
Release date:2015-07-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis for the Inhibition of Helicobacter pylori alpha-Carbonic Anhydrase by Sulfonamides.
Plos One, 10, 2015
2Q7Q
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BU of 2q7q by Molmil
Crystal structure of Alcaligenes faecalis AADH in complex with p-chlorobenzylamine.
Descriptor: 1-(4-CHLOROPHENYL)METHANAMINE, Aralkylamine dehydrogenase heavy chain, Aralkylamine dehydrogenase light chain
Authors:Roujeinikova, A, Leys, D.
Deposit date:2007-06-07
Release date:2007-07-31
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Isotope effects reveal that para-substituted benzylamines are poor reactivity probes of the quinoprotein mechanism for aromatic amine dehydrogenase.
Biochemistry, 46, 2007
3DPP
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BU of 3dpp by Molmil
Crystal structure of the substrate binding domain of E. coli DnaK in complex with a long pyrrhocoricin-derived inhibitor peptide (form A)
Descriptor: Chaperone protein dnaK, SULFATE ION, inhibitor peptide
Authors:Roujeinikova, A.
Deposit date:2008-07-09
Release date:2009-03-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Allosteric coupling between the lid and interdomain linker in DnaK revealed by inhibitor binding studies.
J.Bacteriol., 191, 2009
3DPQ
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BU of 3dpq by Molmil
Crystal structure of the substrate binding domain of E. coli DnaK in complex with a long pyrrhocoricin-derived inhibitor peptide (form B)
Descriptor: Chaperone protein dnaK, SULFATE ION, inhibitor peptide
Authors:Roujeinikova, A.
Deposit date:2008-07-09
Release date:2009-03-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Allosteric coupling between the lid and interdomain linker in DnaK revealed by inhibitor binding studies.
J.Bacteriol., 191, 2009
3DPO
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BU of 3dpo by Molmil
Crystal structure of the substrate binding domain of E. coli DnaK in complex with a short pyrrhocoricin-derived inhibitor peptide
Descriptor: Chaperone protein dnaK, SULFATE ION, inhibitor peptide
Authors:Roujeinikova, A.
Deposit date:2008-07-09
Release date:2009-03-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Allosteric coupling between the lid and interdomain linker in DnaK revealed by inhibitor binding studies
J.Bacteriol., 191, 2009
3R6M
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BU of 3r6m by Molmil
Crystal structure of Vibrio parahaemolyticus YeaZ
Descriptor: YeaZ, resuscitation promoting factor
Authors:Roujeinikova, A, Aydin, I.
Deposit date:2011-03-21
Release date:2011-09-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural Analysis of the Essential Resuscitation Promoting Factor YeaZ Suggests a Mechanism of Nucleotide Regulation through Dimer Reorganization.
Plos One, 6, 2011
2HKR
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BU of 2hkr by Molmil
Structures of the carbinolamine and schiff-base intermediates in the reductive half-reaction of aromatic amine dehydrogenase (AADH) with p-methoxyphenylethylamine
Descriptor: 2-(4-METHOXYPHENYL)ACETAMIDE, 2-(4-METHOXYPHENYL)ETHANAMINE, Aromatic amine dehydrogenase, ...
Authors:Roujeinikova, A, Leys, D.
Deposit date:2006-07-05
Release date:2008-04-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure-reactivity correlations and kinetic isotope effects in aromatic amine dehydrogenase
To be Published
2HJ4
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BU of 2hj4 by Molmil
Crystal structure of Alcaligenes faecalis AADH complex with p-nitrobenzylamine
Descriptor: Aromatic amine dehydrogenase; chain A, B, Aromatic amine dehydrogenase; chain D, ...
Authors:Roujeinikova, A, Leys, D.
Deposit date:2006-06-30
Release date:2007-11-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Isotope effects reveal that para-substituted benzylamines are poor reactivity probes of the quinoprotein mechanism for aromatic amine dehydrogenase.
Biochemistry, 46, 2007
2HJB
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BU of 2hjb by Molmil
Crystal structure of Alcaligenes faecalis AADH in complex with p-methoxybenzylamine
Descriptor: 1-(4-METHOXYPHENYL)METHANAMINE, Aromatic amine dehydrogenase
Authors:Roujeinikova, A, Leys, D.
Deposit date:2006-06-30
Release date:2007-11-06
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Isotope effects reveal that para-substituted benzylamines are poor reactivity probes of the quinoprotein mechanism for aromatic amine dehydrogenase.
Biochemistry, 46, 2007
2HKM
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BU of 2hkm by Molmil
Crystal structure of the Schiff base intermediate in the reductive half-reaction of aromatic amine dehydrogenase (AADH) with phenylethylamine.
Descriptor: 2-PHENYLETHYLAMINE, Aromatic amine dehydrogenase
Authors:Roujeinikova, A, Leys, D.
Deposit date:2006-07-05
Release date:2008-04-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-reactivity correlations and kinetic isotope effects in aromatic amine dehydrogenase
To be Published
2IJ5
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BU of 2ij5 by Molmil
Crystal structure of cytochrome P450 CYP121, P212121 space group
Descriptor: Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Roujeinikova, A, Leys, D.
Deposit date:2006-09-29
Release date:2006-11-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of the Mycobacterium tuberculosis P450 CYP121-fluconazole complex reveals new azole drug-P450 binding mode.
J.Biol.Chem., 281, 2006
2IJ7
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BU of 2ij7 by Molmil
Structure of Mycobacterium tuberculosis CYP121 in complex with the antifungal drug fluconazole
Descriptor: 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE
Authors:Roujeinikova, A, Leys, D.
Deposit date:2006-09-29
Release date:2006-11-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the Mycobacterium tuberculosis P450 CYP121-fluconazole complex reveals new azole drug-P450 binding mode.
J.Biol.Chem., 281, 2006
7SGP
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BU of 7sgp by Molmil
Crystal structure of periplasmic domain of Helicobacter pylori FliL (residues 81 to 183) (crystal form C)
Descriptor: Flagellar protein FliL
Authors:Chan, K.L, Peterson, B, Khan, M.F, Roujeinikova, A.
Deposit date:2021-10-06
Release date:2022-03-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The flagellar motor protein FliL forms a scaffold of circumferentially positioned rings required for stator activation.
Proc.Natl.Acad.Sci.USA, 119, 2022
7SGN
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BU of 7sgn by Molmil
Crystal structure of periplasmic domain of Helicobacter pylori FliL (residues 81 to 183) (crystal form A)
Descriptor: Flagellar protein FliL
Authors:Chan, K.L, Peterson, B, Khan, M.F, Roujeinikova, A.
Deposit date:2021-10-06
Release date:2022-03-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The flagellar motor protein FliL forms a scaffold of circumferentially positioned rings required for stator activation.
Proc.Natl.Acad.Sci.USA, 119, 2022
7SGO
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BU of 7sgo by Molmil
Crystal structure of periplasmic domain of Helicobacter pylori FliL (residues 81 to 183) (crystal form B)
Descriptor: Flagellar protein FliL
Authors:Chan, K.L, Peterson, B, Khan, M.F, Roujeinikova, A.
Deposit date:2021-10-06
Release date:2022-03-23
Method:X-RAY DIFFRACTION (2.695 Å)
Cite:The flagellar motor protein FliL forms a scaffold of circumferentially positioned rings required for stator activation.
Proc.Natl.Acad.Sci.USA, 119, 2022
1D8A
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BU of 1d8a by Molmil
E. COLI ENOYL REDUCTASE/NAD+/TRICLOSAN COMPLEX
Descriptor: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN
Authors:Levy, C.W, Roujeinikova, A, Sedelnikova, S, Baker, P.J, Stuitje, A.R, Slabas, A.R, Rice, D.W, Rafferty, J.B.
Deposit date:1999-10-21
Release date:1999-10-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Molecular basis of triclosan activity.
Nature, 398, 1999
5TUO
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BU of 5tuo by Molmil
Crystal structure of the complex of Helicobacter pylori alpha-carbonic anhydrase with 5-amino-1,3,4-thiadiazole-2-sulfonamide inhibitor.
Descriptor: 5-AMINO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Alpha-carbonic anhydrase, CHLORIDE ION, ...
Authors:Modak, J.K, Roujeinikova, A.
Deposit date:2016-11-06
Release date:2017-09-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-Activity Relationship for Sulfonamide Inhibition of Helicobacter pylori alpha-Carbonic Anhydrase.
J. Med. Chem., 59, 2016
5TV3
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BU of 5tv3 by Molmil
Crystal structure of the complex of Helicobacter pylori alpha-carbonic anhydrase with (E)-5-(((4-(tert-butyl)phenyl)sulfonyl)imino)-4-methyl-4,5-dihydro-1,3,4-thiadiazole-2-sulfonamide
Descriptor: (5Z)-5-{[(4-tert-butylphenyl)sulfonyl]imino}-4-methyl-4,5-dihydro-1,3,4-thiadiazole-2-sulfonamide, Alpha-carbonic anhydrase, CHLORIDE ION, ...
Authors:Modak, J.K, Roujeinikova, A.
Deposit date:2016-11-07
Release date:2017-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure-Activity Relationship for Sulfonamide Inhibition of Helicobacter pylori alpha-Carbonic Anhydrase.
J. Med. Chem., 59, 2016
5TT8
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BU of 5tt8 by Molmil
Crystal structure of the complex of Helicobacter pylori alpha-carbonic anhydrase with benzolamide
Descriptor: 5-[(phenylsulfonyl)amino]-1,3,4-thiadiazole-2-sulfonamide, Alpha-carbonic anhydrase, CHLORIDE ION, ...
Authors:Modak, J.K, Roujeinikova, A.
Deposit date:2016-11-02
Release date:2017-09-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-Activity Relationship for Sulfonamide Inhibition of Helicobacter pylori alpha-Carbonic Anhydrase.
J. Med. Chem., 59, 2016
5TT3
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BU of 5tt3 by Molmil
Crystal structure of the complex of Helicobacter pylori alpha-carbonic anhydrase with ethoxzolamide
Descriptor: 6-ethoxy-1,3-benzothiazole-2-sulfonamide, Alpha-carbonic anhydrase, CHLORIDE ION, ...
Authors:Modak, J.K, Roujeinikova, A.
Deposit date:2016-11-01
Release date:2017-09-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Activity Relationship for Sulfonamide Inhibition of Helicobacter pylori alpha-Carbonic Anhydrase.
J. Med. Chem., 59, 2016

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