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4IBY
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BU of 4iby by Molmil
Human p53 core domain with hot spot mutation R273H and second-site suppressor mutation S240R
Descriptor: 1,2-ETHANEDIOL, Cellular tumor antigen p53, ZINC ION
Authors:Eldar, A, Rozenberg, H, Diskin-Posner, Y, Shakked, Z.
Deposit date:2012-12-09
Release date:2013-08-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural studies of p53 inactivation by DNA-contact mutations and its rescue by suppressor mutations via alternative protein-DNA interactions.
Nucleic Acids Res., 41, 2013
4IJF
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BU of 4ijf by Molmil
Crystal structure of the Zaire ebolavirus VP35 interferon inhibitory domain K222A/R225A/K248A/K251A mutant
Descriptor: Polymerase cofactor VP35
Authors:Binning, J.B, Wang, T, Leung, D.W, Xu, W, Borek, D, Amarasinghe, G.K.
Deposit date:2012-12-21
Release date:2013-10-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.506 Å)
Cite:Development of RNA Aptamers Targeting Ebola Virus VP35.
Biochemistry, 52, 2013
2P9A
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BU of 2p9a by Molmil
E. coli methionine aminopeptidase dimetalated with inhibitor YE6
Descriptor: 5-(2-chlorophenyl)furan-2-carbohydrazide, MANGANESE (II) ION, Methionine aminopeptidase, ...
Authors:Ye, Q.
Deposit date:2007-03-24
Release date:2007-11-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Inhibition of Monometalated Methionine Aminopeptidase: Inhibitor Discovery and Crystallographic Analysis.
J.Med.Chem., 50, 2007
3NU1
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BU of 3nu1 by Molmil
Structure of holo form of a periplasmic heme binding protein
Descriptor: Hemin-binding periplasmic protein, PROTOPORPHYRIN IX CONTAINING FE
Authors:Mattle, D, Goetz, B.A, Woo, J.S, Locher, K.P.
Deposit date:2010-07-06
Release date:2010-10-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Two stacked heme molecules in the binding pocket of the periplasmic heme-binding protein HmuT from Yersinia pestis.
J.Mol.Biol., 404, 2010
4OE4
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BU of 4oe4 by Molmil
Crystal Structure of Yeast ALDH4A1 Complexed with NAD+
Descriptor: Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Tanner, J.J.
Deposit date:2014-01-11
Release date:2014-02-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.168 Å)
Cite:Structural Studies of Yeast Delta (1)-Pyrroline-5-carboxylate Dehydrogenase (ALDH4A1): Active Site Flexibility and Oligomeric State.
Biochemistry, 53, 2014
4IL5
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BU of 4il5 by Molmil
Crystal structure of O-Acetyl Serine Sulfhydrylase from Entamoeba histolytica in complex with isoleucine
Descriptor: Cysteine synthase, ISOLEUCINE, SULFATE ION
Authors:Raj, I, Gourinath, S.
Deposit date:2012-12-29
Release date:2013-12-04
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Molecular basis of ligand recognition by OASS from E. histolytica: insights from structural and molecular dynamics simulation studies
Biochim.Biophys.Acta, 1830, 2013
3GQ8
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BU of 3gq8 by Molmil
Crystal Structure of the Bacteriophage phi29 gene product 12 N-terminal fragment in complex with 2-(N-cyclohexylamino)ethane sulfonic acid (CHES)
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CALCIUM ION, CARBONATE ION, ...
Authors:Xiang, Y, Rossmann, M.G.
Deposit date:2009-03-24
Release date:2009-05-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic insights into the autocatalytic assembly mechanism of a bacteriophage tail spike.
Mol.Cell, 34, 2009
4OFW
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BU of 4ofw by Molmil
Crystal Structure of Arabidopsis thaliana DJ-1d
Descriptor: Protein DJ-1 homolog D
Authors:Choi, D, Kim, J, Ryu, K.-S, Park, C.
Deposit date:2014-01-15
Release date:2014-10-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Stereospecific mechanism of DJ-1 glyoxalases inferred from their hemithioacetal-containing crystal structures.
Febs J., 281, 2014
4IDG
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BU of 4idg by Molmil
Crystal structure of a short-chain dehydrogenase/reductase superfamily protein from agrobacterium tumefaciens (TARGET EFI-506441) with bound NAD, monoclinic form 2
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Vetting, M.W, Groninger-Poe, F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2012-12-12
Release date:2012-12-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of a short-chain dehydrogenase/reductase superfamily protein from agrobacterium tumefaciens (TARGET EFI-506441) with bound NAD, monoclinic form 2
To be Published
2OWM
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BU of 2owm by Molmil
Motor domain of Neurospora crassa kinesin-3 (NcKin3)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Related to KINESIN-LIKE PROTEIN KIF1C
Authors:Marx, A, Muller, J, Mandelkow, E.-M, Woehlke, G, Mandelkow, E.
Deposit date:2007-02-16
Release date:2008-01-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:X-ray Structure and Microtubule Interaction of the Motor Domain of Neurospora crassa NcKin3, a Kinesin with Unusual Processivity
Biochemistry, 47, 2008
2B5O
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BU of 2b5o by Molmil
ferredoxin-NADP reductase
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin--NADP reductase, SULFATE ION
Authors:Sawaya, M.R, Kerfeld, C.A, Gomez-Lojero, C, Krogmann, D, Bryant, D.A, Yeates, T.O.
Deposit date:2005-09-29
Release date:2005-10-11
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.499 Å)
Cite:Crystal Structure of Ferredoxin-NADP reductase from Synechococcus sp. (PCC 7002)
To be Published
4IMF
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BU of 4imf by Molmil
Crystal Structure of Pasteurella multocida N-Acetyl-D-Neuraminic acid lyase K164 mutant complexed with N-Acetylneuraminic acid
Descriptor: 1-ETHOXY-2-(2-METHOXYETHOXY)ETHANE, 5-(acetylamino)-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosonic acid, CHLORIDE ION, ...
Authors:Fisher, A.J, Huynh, N.
Deposit date:2013-01-02
Release date:2013-11-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Basis for Substrate Specificity and Mechanism of N-Acetyl-d-neuraminic Acid Lyase from Pasteurella multocida.
Biochemistry, 52, 2013
2PBW
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BU of 2pbw by Molmil
Crystal Structure of the Ligand-Binding Core of iGluR5 in Complex with the Partial agonist Domoic Acid at 2.5 A Resolution
Descriptor: (2S,3S,4S)-2-CARBOXY-4-[(1Z,3E,5R)-5-CARBOXY-1-METHYL-1,3-HEXADIENYL]-3-PYRROLIDINEACETIC ACID, Glutamate receptor, ionotropic kainate 1
Authors:Hald, H, Naur, P, Gajhede, M, Kastrup, J.S.
Deposit date:2007-03-29
Release date:2007-07-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Partial agonism and antagonism of the ionotropic glutamate receptor iGLuR5: structures of the ligand-binding core in complex with domoic acid and 2-amino-3-[5-tert-butyl-3-(phosphonomethoxy)-4-isoxazolyl]propionic acid.
J.Biol.Chem., 282, 2007
4IFZ
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BU of 4ifz by Molmil
Crystal structure of Treponema pallidum TP0796 Flavin trafficking protein, Mn(II)-AMP product bound form
Descriptor: ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, MANGANESE (II) ION, ...
Authors:Tomchick, D.R, Brautigam, C.A, Deka, R.K, Norgard, M.V.
Deposit date:2012-12-15
Release date:2013-02-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9012 Å)
Cite:The TP0796 Lipoprotein of Treponema pallidum Is a Bimetal-dependent FAD Pyrophosphatase with a Potential Role in Flavin Homeostasis.
J.Biol.Chem., 288, 2013
4OLO
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BU of 4olo by Molmil
Ligand-free structure of the GrpU microcompartment shell protein from Clostridiales bacterium 1_7_47FAA
Descriptor: BMC domain protein
Authors:Thompson, M.C, Ahmed, H, McCarty, K.N, Sawaya, M.R, Yeates, T.O.
Deposit date:2014-01-24
Release date:2014-07-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Identification of a unique fe-s cluster binding site in a glycyl-radical type microcompartment shell protein.
J.Mol.Biol., 426, 2014
3O2B
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BU of 3o2b by Molmil
E. coli ClpS in complex with a Phe N-end rule peptide
Descriptor: ATP-dependent Clp protease adaptor protein ClpS, CHLORIDE ION, Phe N-end rule peptide, ...
Authors:Roman-Hernandez, G, Grant, R.A, Sauer, R.T, Baker, T.A, de Regt, A.
Deposit date:2010-07-22
Release date:2011-12-14
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The ClpS adaptor mediates staged delivery of N-end rule substrates to the AAA+ ClpAP protease.
Mol.Cell, 43, 2011
4IGR
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BU of 4igr by Molmil
Crystal structure of the kainate receptor GluK3 ligand-binding domain in complex with the agonist ZA302
Descriptor: (4R)-4-{3-[hydroxy(methyl)amino]-3-oxopropyl}-L-glutamic acid, CHLORIDE ION, Glutamate receptor, ...
Authors:Larsen, A.P, Venskutonyte, R, Gajhede, M, Kastrup, J.S, Frydenvang, K.
Deposit date:2012-12-18
Release date:2013-03-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Chemoenzymatic synthesis of new 2,4-syn-functionalized (S)-glutamate analogues and structure-activity relationship studies at ionotropic glutamate receptors and excitatory amino acid transporters.
J.Med.Chem., 56, 2013
4OL9
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BU of 4ol9 by Molmil
Crystal Structure of putative 2-dehydropantoate 2-reductase PanE from Mycobacterium tuberculosis complexed with NADP and oxamate
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2014-01-23
Release date:2014-02-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of putative 2-dehydropantoate 2-reductase PanE from Mycobacterium tuberculosis complexed with NADP and oxamate
To be Published
3O5Z
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BU of 3o5z by Molmil
Crystal structure of the SH3 domain from p85beta subunit of phosphoinositide 3-kinase (PI3K)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Phosphatidylinositol 3-kinase regulatory subunit beta
Authors:Chen, S, Xiao, Y, Ponnusamy, R, Tan, J, Lei, J, Hilgenfeld, R.
Deposit date:2010-07-28
Release date:2011-08-10
Last modified:2014-09-10
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:X-ray structure of the SH3 domain of the phosphoinositide 3-kinase p85 beta subunit
Acta Crystallogr.,Sect.F, 67, 2011
4IN6
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BU of 4in6 by Molmil
(M)L214A mutant of the Rhodobacter sphaeroides Reaction Center
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ...
Authors:Saer, R.G, Hardjasa, A, Murphy, M.E.P, Beatty, J.T.
Deposit date:2013-01-04
Release date:2013-05-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Role of Rhodobacter sphaeroides Photosynthetic Reaction Center Residue M214 in the Composition, Absorbance Properties, and Conformations of HA and BA Cofactors.
Biochemistry, 52, 2013
4OLL
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BU of 4oll by Molmil
cAMP-binding acyltransferase from Mycobacterium smegmatis
Descriptor: Acetyltransferase Pat, CALCIUM ION, MERCURY (II) ION
Authors:Podobnik, M, Rebolj, K, Visweswariah, S.S.
Deposit date:2014-01-24
Release date:2014-04-30
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Allostery and Conformational Dynamics in cAMP-binding Acyltransferases.
J.Biol.Chem., 289, 2014
2P0D
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BU of 2p0d by Molmil
ArhGAP9 PH domain in complex with Ins(1,4,5)P3
Descriptor: D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Rho GTPase-activating protein 9
Authors:Ceccarelli, D.F.J, Blasutig, I, Goudreault, M, Ruston, J, Pawson, T, Sicheri, F.
Deposit date:2007-02-28
Release date:2007-03-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.811 Å)
Cite:Non-canonical Interaction of Phosphoinositides with Pleckstrin Homology Domains of Tiam1 and ArhGAP9.
J.Biol.Chem., 282, 2007
4ONU
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BU of 4onu by Molmil
cAMP-binding acyltransferase from Mycobacterium smegmatis, E234A mutant
Descriptor: Acetyltransferase Pat, CALCIUM ION
Authors:Podobnik, M, Rebolj, K, Visweswariah, S.S.
Deposit date:2014-01-29
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Allostery and Conformational Dynamics in cAMP-binding Acyltransferases.
J.Biol.Chem., 289, 2014
2B8T
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BU of 2b8t by Molmil
Crystal structure of Thymidine Kinase from U.urealyticum in complex with thymidine
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, THYMIDINE, Thymidine kinase, ...
Authors:Kosinska, U, Carnrot, C, Eriksson, S, Wang, L, Eklund, H.
Deposit date:2005-10-10
Release date:2005-12-20
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the substrate complex of thymidine kinase from Ureaplasma urealyticum and investigations of possible drug targets for the enzyme
FEBS Lett., 272, 2005
2H6T
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BU of 2h6t by Molmil
Secreted aspartic proteinase (Sap) 3 from Candida albicans complexed with pepstatin A
Descriptor: Candidapepsin-3, ZINC ION, pepstatin A
Authors:Ruge, E, Borelli, C, Maskos, K, Huber, R.
Deposit date:2006-06-01
Release date:2007-06-12
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The crystal structure of the secreted aspartic proteinase 3 from Candida albicans and its complex with pepstatin A.
Proteins, 68, 2007

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