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4L1Q
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BU of 4l1q by Molmil
Crystal Structure of the E113Q-MauG/pre-Methylamine Dehydrogenase Complex
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Yukl, E.Y, Wilmot, C.M.
Deposit date:2013-06-03
Release date:2013-09-04
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Carboxyl Group of Glu113 Is Required for Stabilization of the Diferrous and Bis-Fe(IV) States of MauG.
Biochemistry, 52, 2013
1W1B
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BU of 1w1b by Molmil
Structure of Bacillus subtilis PdaA with Cadmium, a family 4 Carbohydrate esterase.
Descriptor: CADMIUM ION, PROBABLE POLYSACCHARIDE DEACETYLASE PDAA
Authors:Blair, D.E, van Aalten, D.M.F.
Deposit date:2004-06-18
Release date:2005-04-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of Bacillus subtilis PdaA, a family 4 carbohydrate esterase, and a complex with N-acetyl-glucosamine.
FEBS Lett., 570, 2004
2L2Y
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BU of 2l2y by Molmil
Thiostrepton, epimer form of residue 9
Descriptor: Thiostrepton
Authors:Jonker, H.R.A, Baumann, S, Wolf, A, Schoof, S, Hiller, F, Schulte, K.W, Kirschner, K.N, Schwalbe, H, Arndt, H.-D.
Deposit date:2010-08-27
Release date:2011-02-02
Last modified:2013-06-26
Method:SOLUTION NMR
Cite:NMR structures of thiostrepton derivatives for characterization of the ribosomal binding site.
Angew.Chem.Int.Ed.Engl., 50, 2011
2I0R
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BU of 2i0r by Molmil
Crystal structure of aromatic amine dehydrogenase TTQ-formamide adduct
Descriptor: Aromatic Amine Dehydrogenase
Authors:Roujeinikova, A, Leys, D.
Deposit date:2006-08-11
Release date:2007-04-24
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:New insights into the reductive half-reaction mechanism of aromatic amine dehydrogenase revealed by reaction with carbinolamine substrates.
J.Biol.Chem., 282, 2007
4NMK
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BU of 4nmk by Molmil
Thermostable aldehyde dehydrogenase from Pyrobaculum sp. crystallized in microgravity (complex with NADP+)
Descriptor: Aldehyde dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Petrova, T, Boyko, K.M, Bezsudnova, E.Y, Mardanov, A.V, Gumerov, V.M, Ravin, N.V, Popov, V.O.
Deposit date:2013-11-15
Release date:2014-11-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.898 Å)
Cite:Thermostable aldehyde dehydrogenase from Pyrobaculum sp. crystallized in microgravity (complex with NADP+)
To be Published
2F10
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BU of 2f10 by Molmil
Crystal Structure of the Human Sialidase Neu2 in Complex with Peramivir inhibitor
Descriptor: 3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID, PHOSPHATE ION, Sialidase 2
Authors:Chavas, L.M.G, Kato, R, McKimm-Breschkin, J, Colman, P.M, Fusi, P, Tringali, C, Venerando, B, Tettamanti, G, Monti, E, Wakatsuki, S.
Deposit date:2005-11-14
Release date:2006-11-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structure of the Human Sialidase Neu2 in Complex with Peramivir inhibitor
To be Published
2F1O
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BU of 2f1o by Molmil
Crystal Structure of NQO1 with Dicoumarol
Descriptor: BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-BENZOPYRONE], FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1
Authors:Shaul, Y, Asher, G, Dym, O, Tsvetkov, P, Adler, J, Israel Structural Proteomics Center (ISPC)
Deposit date:2005-11-15
Release date:2006-05-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:The crystal structure of NAD(P)H quinone oxidoreductase 1 in complex with its potent inhibitor dicoumarol.
Biochemistry, 45, 2006
4NQ3
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BU of 4nq3 by Molmil
Crystal structure of cyanuic acid hydrolase from A. caulinodans
Descriptor: BARBITURIC ACID, Cyanuric acid amidohydrolase, MAGNESIUM ION, ...
Authors:Cho, S, Shi, K, Aihara, H.
Deposit date:2013-11-23
Release date:2014-09-10
Method:X-RAY DIFFRACTION (2.702 Å)
Cite:Cyanuric acid hydrolase from Azorhizobium caulinodans ORS 571: crystal structure and insights into a new class of Ser-Lys dyad proteins.
Plos One, 9, 2014
4NY2
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BU of 4ny2 by Molmil
Structure of Vibrio cholerae chitin de-N-acetylase in complex with acetate ion (ACT) in P 21
Descriptor: ACETATE ION, CALCIUM ION, Deacetylase DA1, ...
Authors:Albesa-Jove, D, Andres, E, Biarnes, X, Planas, A, Guerin, M.E.
Deposit date:2013-12-10
Release date:2014-08-13
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.879 Å)
Cite:Structural basis of chitin oligosaccharide deacetylation.
Angew.Chem.Int.Ed.Engl., 53, 2014
2JSY
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BU of 2jsy by Molmil
Solution structure of Tpx in the oxidized state
Descriptor: Probable thiol peroxidase
Authors:Jin, C, Lu, J.
Deposit date:2007-07-17
Release date:2008-07-22
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:Reversible conformational switch revealed by the redox structures of Bacillus subtilis thiol peroxidase
Biochem.Biophys.Res.Commun., 373, 2008
2F5N
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BU of 2f5n by Molmil
MutM crosslinked to undamaged DNA sampling A:T base pair IC1
Descriptor: 5'-D(*AP*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*C)-3', 5'-D(*TP*GP*C*GP*TP*CP*CP*AP*GP*GP*TP*CP*TP*AP*CP*C)-3', GLYCEROL, ...
Authors:Banerjee, A, Santos, W.L, Verdine, G.L.
Deposit date:2005-11-26
Release date:2006-03-07
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of a DNA glycosylase searching for lesions.
Science, 311, 2006
2K2P
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BU of 2k2p by Molmil
Solution NMR structure of protein Atu1203 from Agrobacterium tumefaciens. Northeast Structural Genomics Consortium (NESG) target AtT10, Ontario Center for Structural Proteomics target ATC1183
Descriptor: Uncharacterized protein Atu1203
Authors:Lemak, A, Gutmanas, A, Yee, A, Semesi, A, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-04-08
Release date:2008-04-22
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structure of protein Atu1203 from Agrobacterium tumefaciens.
To be Published
4NDH
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BU of 4ndh by Molmil
Human Aprataxin (Aptx) bound to DNA, AMP, and Zn - product complex
Descriptor: 5'-D(P*GP*TP*TP*CP*TP*AP*GP*AP*AP*C)-3', ADENOSINE MONOPHOSPHATE, Aprataxin, ...
Authors:Schellenberg, M.J, Tumbale, P.S, Williams, R.S.
Deposit date:2013-10-26
Release date:2013-12-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.848 Å)
Cite:Aprataxin resolves adenylated RNA-DNA junctions to maintain genome integrity.
Nature, 506, 2013
4M81
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BU of 4m81 by Molmil
The structure of E292S glycosynthase variant of exo-1,3-beta-glucanase from Candida albicans complexed with 1-fluoro-alpha-D-glucopyranoside (donor) and p-nitrophenyl beta-D-glucopyranoside (acceptor) at 1.86A resolution
Descriptor: 4-nitrophenyl beta-D-glucopyranoside, EXO-1,3-BETA-GLUCANASE, GLYCEROL, ...
Authors:Nakatani, Y, Cutfield, S.M, Larsen, D.S, Cutfield, J.F.
Deposit date:2013-08-12
Release date:2014-06-25
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Major Change in Regiospecificity for the Exo-1,3-beta-glucanase from Candida albicans following Its Conversion to a Glycosynthase.
Biochemistry, 53, 2014
2F7O
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BU of 2f7o by Molmil
Golgi alpha-mannosidase II complex with mannostatin A
Descriptor: (1R,2R,3R,4S,5R)-4-AMINO-5-(METHYLTHIO)CYCLOPENTANE-1,2,3-TRIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kuntz, D.A, Rose, D.R.
Deposit date:2005-12-01
Release date:2006-07-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Structural Basis of the Inhibition of Golgi alpha-Mannosidase II by Mannostatin A and the Role of the Thiomethyl Moiety in Ligand-Protein Interactions.
J.Am.Chem.Soc., 128, 2006
1W9A
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BU of 1w9a by Molmil
Crystal structure of Rv1155 from Mycobacterium tuberculosis
Descriptor: PUTATIVE PYRIDOXINE/PYRIDOXAMINE 5'-PHOSPHATE OXIDASE
Authors:Cannan, S, Sulzenbacher, G, Roig-Zamboni, V, Scappuccini, L, Frassinetti, F, Maurien, D, Cambillau, C, Bourne, Y.
Deposit date:2004-10-07
Release date:2005-01-06
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of the Conserved Hypothetical Protein Rv1155 from Mycobacterium Tuberculosis
FEBS Lett., 579, 2005
4M8U
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BU of 4m8u by Molmil
The Structure of MalL mutant enzyme V200A from Bacillus subtilus
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, GLYCEROL, ...
Authors:Hobbs, J.K, Jiao, W, Easter, A.D, Parker, E.J, Schipper, L.A, Arcus, V.L.
Deposit date:2013-08-13
Release date:2013-09-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Change in heat capacity for enzyme catalysis determines temperature dependence of enzyme catalyzed rates.
Acs Chem.Biol., 8, 2013
4NFV
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BU of 4nfv by Molmil
Previously de-ionized HEW lysozyme batch crystallized in 1.1 M MnCl2
Descriptor: CHLORIDE ION, Lysozyme C, MANGANESE (II) ION
Authors:Benas, P, Legrand, L, Ries-Kautt, M.
Deposit date:2013-11-01
Release date:2014-05-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Weak protein-cationic co-ion interactions addressed by X-ray crystallography and mass spectrometry.
Acta Crystallogr.,Sect.D, 70, 2014
3FWG
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BU of 3fwg by Molmil
Ferric camphor bound Cytochrome P450cam, Arg365Leu, Glu366Gln, monoclinic crystal form
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, Camphor 5-monooxygenase, ...
Authors:Schlichting, I, Von Koenig, K, Aldag, C, Hilvert, D.
Deposit date:2009-01-18
Release date:2009-03-03
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Probing the role of the proximal heme ligand in cytochrome P450cam by recombinant incorporation of selenocysteine.
Proc.Natl.Acad.Sci.USA, 106, 2009
2FFZ
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BU of 2ffz by Molmil
Structural Studies Examining the Substrate Specificity Profiles of PC-PLCBc Protein Variants
Descriptor: Phospholipase C, ZINC ION
Authors:Benfield, A.B, Antikainen, N.M, Martin, S.F.
Deposit date:2005-12-20
Release date:2006-03-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural studies examining the substrate specificity profiles of PC-PLC(Bc) protein variants.
Arch.Biochem.Biophys., 460, 2007
4NKV
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BU of 4nkv by Molmil
Human steroidogenic cytochrome P450 17A1 mutant A105L with inhibitor abiraterone
Descriptor: Abiraterone, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase
Authors:Scott, E.E, Petrunak, E.M.
Deposit date:2013-11-13
Release date:2014-10-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.646 Å)
Cite:Structures of Human Steroidogenic Cytochrome P450 17A1 with Substrates.
J.Biol.Chem., 289, 2014
4MDR
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BU of 4mdr by Molmil
Crystal structure of adaptor protein complex 4 (AP-4) mu4 subunit C-terminal domain D190A mutant, in complex with a sorting peptide from the amyloid precursor protein (APP)
Descriptor: AP-4 complex subunit mu-1, Amyloid beta A4 protein
Authors:Ross, B.H, Lin, Y, Corales, E.A, Burgos, P.V, Mardones, G.A.
Deposit date:2013-08-23
Release date:2014-03-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural and Functional Characterization of Cargo-Binding Sites on the mu 4-Subunit of Adaptor Protein Complex 4.
Plos One, 9, 2014
4NMM
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BU of 4nmm by Molmil
Crystal Structure of a G12C Oncogenic Variant of Human KRas Bound to a Novel GDP Competitive Covalent Inhibitor
Descriptor: 5'-O-[(S)-{[(S)-[2-(acetylamino)ethoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine, GTPase KRas, MAGNESIUM ION
Authors:Hunter, J.C, Gurbani, D, Lim, S.M, Westover, K.D.
Deposit date:2013-11-15
Release date:2014-06-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:In situ selectivity profiling and crystal structure of SML-8-73-1, an active site inhibitor of oncogenic K-Ras G12C.
Proc.Natl.Acad.Sci.USA, 111, 2014
2FH8
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BU of 2fh8 by Molmil
Crystal Structure Analysis of Klebsiella pneumoniae pullulanase complexed with isomaltose
Descriptor: Alpha-dextrin endo-1,6-alpha-glucosidase, CALCIUM ION, alpha-D-glucopyranose-(1-6)-beta-D-glucopyranose
Authors:Mikami, B, Iwamoto, H, Katsuya, Y, Yoon, H.-J, Demirkan-Sarikaya, E, Malle, D.
Deposit date:2005-12-23
Release date:2006-06-13
Last modified:2022-03-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of pullulanase: evidence for parallel binding of oligosaccharides in the active site
J.Mol.Biol., 359, 2006
1WVA
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BU of 1wva by Molmil
Crystal structure of human arginase I from twinned crystal
Descriptor: Arginase 1, MANGANESE (II) ION, S-2-(BORONOETHYL)-L-CYSTEINE
Authors:Di Costanzo, L, Sabio, G, Mora, A, Rodriguez, P.C, Ochoa, A.C, Centeno, F, Christianson, D.W.
Deposit date:2004-12-14
Release date:2005-09-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Crystal structure of human arginase I at 1.29 A resolution and exploration of inhibition in the immune response
Proc.Natl.Acad.Sci.Usa, 102, 2005

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