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3NZS
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BU of 3nzs by Molmil
Structure-based Optimization of Pyrazolo -Pyrimidine and -Pyridine Inhibitors of PI3-Kinase
Descriptor: 6-(1,1-dioxidothiomorpholin-4-yl)-N-(3-methoxyphenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Murray, J.M, Wiesmann, C.
Deposit date:2010-07-16
Release date:2010-12-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structure-based optimization of pyrazolo-pyrimidine and -pyridine inhibitors of PI3-kinase.
Bioorg.Med.Chem.Lett., 20, 2010
3O0G
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BU of 3o0g by Molmil
Crystal Structure of Cdk5:p25 in complex with an ATP analogue
Descriptor: Cell division protein kinase 5, Cyclin-dependent kinase 5 activator 1, {4-amino-2-[(4-chlorophenyl)amino]-1,3-thiazol-5-yl}(3-nitrophenyl)methanone
Authors:Mapelli, M.
Deposit date:2010-07-19
Release date:2011-01-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Defining Cdk5 ligand chemical space with small molecule inhibitors of Tau phosphorylation
Chem.Biol., 12, 2005
3O2L
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BU of 3o2l by Molmil
Crystal Structure of an Inactive Kemp Elimination Design HG-1
Descriptor: Endo-1,4-beta-xylanase
Authors:Thomas, L.M, Privett, H.K, Mayo, S.L.
Deposit date:2010-07-22
Release date:2011-07-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Iterative approach to computational enzyme design.
Proc.Natl.Acad.Sci.USA, 109, 2012
3O3B
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BU of 3o3b by Molmil
Human Class I MHC HLA-A2 in complex with the Peptidomimetic ELA-1.1
Descriptor: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
Authors:Borbulevych, O.Y, Baker, B.M.
Deposit date:2010-07-23
Release date:2010-12-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of HLA-A*0201 complexed with Melan-A/MART-1(26(27L)-35) peptidomimetics reveal conformational heterogeneity and highlight degeneracy of T cell recognition.
J.Med.Chem., 53, 2010
3NPG
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BU of 3npg by Molmil
Crystal structure of a protein with unknown function from DUF364 family (PH1506) from PYROCOCCUS HORIKOSHII at 2.70 A resolution
Descriptor: ACETATE ION, uncharacterized DUF364 family protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2010-06-28
Release date:2010-09-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of a protein with unknown function from DUF364 family (PH1506) from PYROCOCCUS HORIKOSHII at 2.70 A resolution
To be published
3NT5
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BU of 3nt5 by Molmil
Crystal structure of myo-inositol dehydrogenase from Bacillus subtilis with bound cofactor and product inosose
Descriptor: (2R,3S,4s,5R,6S)-2,3,4,5,6-pentahydroxycyclohexanone, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Inositol 2-dehydrogenase/D-chiro-inositol 3-dehydrogenase, ...
Authors:Van Straaten, K.E, Palmer, D.R.J, Sanders, D.A.R.
Deposit date:2010-07-02
Release date:2010-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.9006 Å)
Cite:Structural investigation of myo-inositol dehydrogenase from Bacillus subtilis: implications for catalytic mechanism and inositol dehydrogenase subfamily classification.
Biochem.J., 432, 2010
3NTO
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BU of 3nto by Molmil
Crystal structure of K97V mutant myo-inositol dehydrogenase from Bacillus subtilis
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Inositol 2-dehydrogenase/D-chiro-inositol 3-dehydrogenase
Authors:Van Straaten, K.E, Palmer, D.R.J, Sanders, D.A.R.
Deposit date:2010-07-05
Release date:2010-09-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9124 Å)
Cite:Structural investigation of myo-inositol dehydrogenase from Bacillus subtilis: implications for catalytic mechanism and inositol dehydrogenase subfamily classification.
Biochem.J., 432, 2010
3OA4
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BU of 3oa4 by Molmil
CRYSTAL STRUCTURE OF hypothetical protein BH1468 from Bacillus halodurans C-125
Descriptor: GLYCEROL, SULFATE ION, ZINC ION, ...
Authors:Malashkevich, V.N, Patskovsky, Y, Garrett, S, Foti, R, Toro, R, Seidel, R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2010-08-04
Release date:2010-08-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:CRYSTAL STRUCTURE OF hypothetical protein BH1468 from Bacillus halodurans C-125
To be Published
3NO3
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BU of 3no3 by Molmil
Crystal structure of a glycerophosphodiester phosphodiesterase (BDI_0402) from Parabacteroides distasonis ATCC 8503 at 1.89 A resolution
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, MAGNESIUM ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2010-06-24
Release date:2010-07-28
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Crystal structure of a glycerophosphodiester phosphodiesterase (BDI_0402) from Parabacteroides distasonis ATCC 8503 at 1.89 A resolution
To be published
3NOK
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BU of 3nok by Molmil
Crystal structure of Myxococcus xanthus Glutaminyl Cyclase
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, DECYLAMINE-N,N-DIMETHYL-N-OXIDE, ...
Authors:Parthier, C, Carrillo, D.R, Stubbs, M.T.
Deposit date:2010-06-25
Release date:2010-11-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Kinetic and structural characterization of bacterial glutaminyl cyclases from Zymomonas mobilis and Myxococcus xanthus
Biol.Chem., 391, 2010
2BCX
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BU of 2bcx by Molmil
Crystal structure of calmodulin in complex with a ryanodine receptor peptide
Descriptor: CALCIUM ION, Calmodulin, Ryanodine receptor 1
Authors:Maximciuc, A.A, Shamoo, Y, MacKenzie, K.R.
Deposit date:2005-10-19
Release date:2006-10-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Complex of calmodulin with a ryanodine receptor target reveals a novel, flexible binding mode.
Structure, 14, 2006
3NP6
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BU of 3np6 by Molmil
The crystal structure of Berberine bound to DNA d(CGTACG)
Descriptor: 5'-D(*CP*GP*TP*AP*CP*G)-3', BERBERINE, CALCIUM ION
Authors:Ferraroni, M, Bazzicalupi, C, Gratteri, P, Bilia, A.R.
Deposit date:2010-06-28
Release date:2011-05-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:X-Ray diffraction analyses of the natural isoquinoline alkaloids Berberine and Sanguinarine complexed with double helix DNA d(CGTACG)
Chem.Commun.(Camb.), 47, 2011
3NPD
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BU of 3npd by Molmil
Crystal structure of a putative secreted protein (PA3611) from PSEUDOMONAS AERUGINOSA at 1.60 A resolution
Descriptor: 1,2-ETHANEDIOL, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, SULFATE ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2010-06-28
Release date:2010-07-28
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of a putative quorum sensing-regulated protein (PA3611) from the Pseudomonas-specific DUF4146 family.
Proteins, 82, 2014
3NT2
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BU of 3nt2 by Molmil
Crystal structure of myo-inositol dehydrogenase from Bacillus subtilis with bound cofactor
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Inositol 2-dehydrogenase/D-chiro-inositol 3-dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Van Straaten, K.E, Palmer, D.R.J, Sanders, D.A.R.
Deposit date:2010-07-02
Release date:2010-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3003 Å)
Cite:Structural investigation of myo-inositol dehydrogenase from Bacillus subtilis: implications for catalytic mechanism and inositol dehydrogenase subfamily classification.
Biochem.J., 432, 2010
3O47
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BU of 3o47 by Molmil
Crystal structure of ARFGAP1-ARF1 fusion protein
Descriptor: ADP-ribosylation factor GTPase-activating protein 1, ADP-ribosylation factor 1, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Wang, H, Tong, Y, Nedyalkova, L, Tempel, W, Guan, X, Crombet, L, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2010-07-26
Release date:2010-08-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of ARFGAP1-ARF1 fusion protein
to be published
3NN8
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BU of 3nn8 by Molmil
Crystal structure of engineered antibody fragment based on 3D5
Descriptor: Engineered scFv
Authors:Lieberman, R.L, Maynard, J.A, Drury, J.E, Pai, J, Culver, J.A.
Deposit date:2010-06-23
Release date:2011-06-29
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Peptide-binding single chain Antibody fragment (SCFV) chaperones for protein co-crystallization
To be Published
2IT9
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BU of 2it9 by Molmil
Crystal structure of a protein with unknown function from DUF155 family (YP_292156.1) from Prochlorococcus sp. NATL2A at 1.80 A resolution
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2006-10-19
Release date:2006-11-28
Last modified:2023-01-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of hypothetical protein (YP_292156.1) from Prochlorococcus sp. NATL2A at 1.80 A resolution
To be published
3NVL
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BU of 3nvl by Molmil
Crystal Structure of Phosphoglycerate Mutase from Trypanosoma brucei
Descriptor: 2,3-bisphosphoglycerate-independent phosphoglycerate mutase, COBALT (II) ION, SULFATE ION
Authors:Mercaldi, G.F, Pereira, H.M, Cordeiro, A.T, Andricopulo, A.D, Thiemann, O.H.
Deposit date:2010-07-08
Release date:2011-07-27
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of phosphoglycerate mutase from Trypanosoma brucei.
Febs J., 279, 2012
3NYO
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BU of 3nyo by Molmil
Crystal Structure of G Protein-Coupled Receptor Kinase 6 in Complex with AMP
Descriptor: (R,R)-2,3-BUTANEDIOL, ADENOSINE MONOPHOSPHATE, G protein-coupled receptor kinase 6, ...
Authors:Tesmer, J.J.G, Singh, P.
Deposit date:2010-07-15
Release date:2010-09-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:Molecular basis for activation of G protein-coupled receptor kinases.
Embo J., 29, 2010
3O3L
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BU of 3o3l by Molmil
Structure of the PTP-like phytase from Selenomonas ruminantium in complex with myo-inositol (1,3,4,5)tetrakisphosphate
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Gruninger, R.J, Selinger, L.B, Mosimann, S.C.
Deposit date:2010-07-25
Release date:2011-12-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural analysis of substrate binding in PTPLPs
To be Published
3O46
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BU of 3o46 by Molmil
Crystal structure of the PDZ domain of MPP7
Descriptor: MAGUK p55 subfamily member 7, UNKNOWN ATOM OR ION
Authors:Nedyalkova, L, Tong, Y, Tempel, W, Zhong, N, Guan, X, Landry, R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2010-07-26
Release date:2010-08-04
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structure of the PDZ domain of MPP7
TO BE PUBLISHED
2ICG
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BU of 2icg by Molmil
Crystal structure of a protein of unknown function (NP_472245.1) from Listeria innocua at 1.65 A resolution
Descriptor: CHLORIDE ION, Lin2918 protein, SULFATE ION
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2006-09-12
Release date:2006-09-26
Last modified:2023-01-25
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of hypothetical protein (NP_472245.1) from Listeria Innocua at 1.65 A resolution
To be published
3O6O
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BU of 3o6o by Molmil
Crystal Structure of the N-terminal domain of an HSP90 from Trypanosoma Brucei, Tb10.26.1080 in the presence of an the inhibitor BIIB021
Descriptor: 6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine, Heat shock protein 83, PENTAETHYLENE GLYCOL
Authors:Wernimont, A.K, Hutchinson, A, Sullivan, H, Weadge, J, Li, Y, Kozieradzki, I, Cossar, D, Bochkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Wyatt, P, Fairlamb, A.H, Ferguson, M.A.J, Thompson, S, MacKenzie, C, Hui, R, Pizarro, J.C, Hills, T, Structural Genomics Consortium (SGC)
Deposit date:2010-07-29
Release date:2010-08-18
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Exploring the Trypanosoma brucei Hsp83 potential as a target for structure guided drug design.
PLoS Negl Trop Dis, 7, 2013
3OA3
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BU of 3oa3 by Molmil
Crystal structure of a putative deoxyribose-phosphate aldolase from Coccidioides immitis
Descriptor: ACETATE ION, aldolase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-08-04
Release date:2010-08-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of an unknown aldolase from Coccidioides immitis
To be Published
3O8Z
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BU of 3o8z by Molmil
Crystal structure of Spn1 (Iws1) core domain
Descriptor: SULFATE ION, Transcription factor IWS1
Authors:McDonald, S.M, Close, D, Hill, C.P.
Deposit date:2010-08-03
Release date:2010-11-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure and biological importance of the spn1-spt6 interaction, and its regulatory role in nucleosome binding.
Mol.Cell, 40, 2010

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