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3RP8
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BU of 3rp8 by Molmil
Crystal Structure of Klebsiella pneumoniae R204Q HpxO complexed with FAD
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, flavoprotein monooxygenase
Authors:Hicks, K.A, O'Leary, S.E, Begley, T.P, Ealick, S.E.
Deposit date:2011-04-26
Release date:2012-05-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.968 Å)
Cite:Structural and Mechanistic Studies of HpxO, a Novel Flavin Adenine Dinucleotide-Dependent Urate Oxidase from Klebsiella pneumoniae.
Biochemistry, 52, 2013
3RPJ
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BU of 3rpj by Molmil
Structure of a curlin genes transcriptional regulator protein from Proteus mirabilis HI4320.
Descriptor: 1,2-ETHANEDIOL, Curlin genes transcriptional regulator, SULFATE ION
Authors:Cuff, M.E, Wu, R, Feldmann, B, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2011-04-26
Release date:2011-08-31
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of a curlin genes transcriptional regulator protein from Proteus mirabilis HI4320.
TO BE PUBLISHED
3RQQ
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BU of 3rqq by Molmil
Crystal Structure of ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Bacillus subtilis in complex with P1,P3-Di(adenosine-5') triphosphate
Descriptor: ADP/ATP-DEPENDENT NAD(P)H-HYDRATE DEHYDRATASE, BIS(ADENOSINE)-5'-TRIPHOSPHATE, MAGNESIUM ION
Authors:Shumilin, I.A, Cymborowski, M, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2011-04-28
Release date:2011-07-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
3RS0
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BU of 3rs0 by Molmil
H-Ras soaked in neat cyclopentanol: one of 10 in MSCS set
Descriptor: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
Authors:Mattos, C, Buhrman, G, Kearney, B.
Deposit date:2011-05-02
Release date:2011-09-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Analysis of Binding Site Hot Spots on the Surface of Ras GTPase.
J.Mol.Biol., 413, 2011
3RS8
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BU of 3rs8 by Molmil
Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima in complex with ADP-ribose
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, GLYCEROL, MAGNESIUM ION, ...
Authors:Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W.
Deposit date:2011-05-02
Release date:2011-06-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
3RSX
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Structure of Bace-1 (Beta-Secretase) in Complex with 6-(Thiophen-3-yl)quinolin-2-amine
Descriptor: 6-(thiophen-3-yl)quinolin-2-amine, Beta-secretase 1, IODIDE ION
Authors:Sickmier, E.A.
Deposit date:2011-05-02
Release date:2011-08-31
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:From Fragment Screening to In Vivo Efficacy: Optimization of a Series of 2-Aminoquinolines as Potent Inhibitors of Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1).
J.Med.Chem., 54, 2011
3RTE
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BU of 3rte by Molmil
Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima soaked with NADP and ATP.
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W.
Deposit date:2011-05-03
Release date:2011-06-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
3RTM
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BU of 3rtm by Molmil
Structure of Bace-1 (Beta-Secretase) in Complex with 3-(2-Aminoquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide
Descriptor: 3-(2-aminoquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide, Beta-secretase 1, GLYCEROL, ...
Authors:Sickmier, E.A.
Deposit date:2011-05-03
Release date:2011-08-31
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:From Fragment Screening to In Vivo Efficacy: Optimization of a Series of 2-Aminoquinolines as Potent Inhibitors of Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1).
J.Med.Chem., 54, 2011
3R2B
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BU of 3r2b by Molmil
MK2 kinase bound to Compound 5b
Descriptor: 2'-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]-5',6'-dihydrospiro[piperidine-4,7'-pyrrolo[3,2-c]pyridin]-4'(1'H)-one, MAP kinase-activated protein kinase 2
Authors:Oubrie, A, van Zeeland, M, Versteegh, J.
Deposit date:2011-03-14
Release date:2011-05-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure-based lead identification of ATP-competitive MK2 inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
3RT7
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BU of 3rt7 by Molmil
Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima in complex with ADP-glucose
Descriptor: ADENOSINE-5'-DIPHOSPHATE-GLUCOSE, GLYCEROL, MAGNESIUM ION, ...
Authors:Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W.
Deposit date:2011-05-03
Release date:2011-06-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
3RF9
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BU of 3rf9 by Molmil
X-ray structure of RlmN from Escherichia coli
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, IRON/SULFUR CLUSTER, Ribosomal RNA large subunit methyltransferase N
Authors:Boal, A.K, Grove, T.L, McLaughlin, M.I, Yennawar, N, Booker, S.J, Rosenzweig, A.C.
Deposit date:2011-04-05
Release date:2011-05-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for methyl transfer by a radical SAM enzyme.
Science, 332, 2011
3RLZ
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BU of 3rlz by Molmil
2.0 Angstrom X-ray structure of bovine Ca(2+)-S100B D63N
Descriptor: CALCIUM ION, Protein S100-B
Authors:Liriano, M.A, Weber, D.J.
Deposit date:2011-04-20
Release date:2012-04-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:The effects of CapZ peptide (TRTK12) on the protein dynamics of S100B and S100B D63N
To be Published
3RNO
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BU of 3rno by Molmil
Crystal Structure of Mouse Apolipoprotein A-I Binding Protein in Complex with NADP.
Descriptor: Apolipoprotein A-I-binding protein, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Shumilin, I.A, Jha, K.N, Cymborowski, M, Herr, J.C, Minor, W.
Deposit date:2011-04-22
Release date:2012-05-09
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
3ROM
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BU of 3rom by Molmil
Crystal structure of human CD38 in complex with compound CZ-48
Descriptor: 2-deoxy-2-fluoro-5-O-thiophosphono-alpha-D-arabinofuranose, ADP-ribosyl cyclase 1
Authors:Zhang, H, Lee, H.C, Hao, Q.
Deposit date:2011-04-26
Release date:2011-12-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Catalysis-based inhibitors of the calcium signaling function of CD38.
Biochemistry, 51, 2012
3ROZ
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BU of 3roz by Molmil
Crystal Structure of Mouse Apolipoprotein A-I Binding Protein in Complex with Nicotinamide
Descriptor: Apolipoprotein A-I-binding protein, NICOTINAMIDE, SULFATE ION
Authors:Shumilin, I.A, Jha, K.N, Cymborowski, M, Herr, J.C, Minor, W.
Deposit date:2011-04-26
Release date:2012-07-18
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
3RQ8
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BU of 3rq8 by Molmil
Crystal Structure of ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Bacillus subtilis soaked with P1,P5-Di(adenosine-5') pentaphosphate
Descriptor: ADP/ATP-dependent NAD(P)H-hydrate dehydratase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, MAGNESIUM ION
Authors:Shumilin, I.A, Cymborowski, M, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2011-04-27
Release date:2011-07-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
3RS2
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BU of 3rs2 by Molmil
H-Ras soaked in 50% 2,2,2-trifluoroethanol: one of 10 in MSCS set
Descriptor: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
Authors:Mattos, C, Buhrman, G, Kearney, B.
Deposit date:2011-05-02
Release date:2011-09-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.836 Å)
Cite:Analysis of Binding Site Hot Spots on the Surface of Ras GTPase.
J.Mol.Biol., 413, 2011
3RS9
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BU of 3rs9 by Molmil
Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima in complex with P1,P3-Di(adenosine-5') triphosphate
Descriptor: BIS(ADENOSINE)-5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
Authors:Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W.
Deposit date:2011-05-02
Release date:2011-06-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.103 Å)
Cite:Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
3RSQ
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BU of 3rsq by Molmil
Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima soaked with NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, BETA-6-HYDROXY-1,4,5,6-TETRHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, POTASSIUM ION, ...
Authors:Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W.
Deposit date:2011-05-02
Release date:2011-06-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.054 Å)
Cite:Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
3PMI
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BU of 3pmi by Molmil
PWWP Domain of Human Mutated Melanoma-Associated Antigen 1
Descriptor: DI(HYDROXYETHYL)ETHER, PWWP domain-containing protein MUM1, SULFATE ION, ...
Authors:Lam, R, Zeng, H, Loppnau, P, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2010-11-17
Release date:2010-12-15
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Structural and histone binding ability characterizations of human PWWP domains.
Plos One, 6, 2011
3PF6
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BU of 3pf6 by Molmil
The structure of uncharacterized protein PP-LUZ7_gp033 from Pseudomonas phage LUZ7.
Descriptor: CHLORIDE ION, hypothetical protein PP-LUZ7_gp033
Authors:Cuff, M.E, Evdokimova, E, Liu, F, Edwards, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2010-10-28
Release date:2010-11-10
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The structure of uncharacterized protein PP-LUZ7_gp033 from Pseudomonas phage LUZ7.
TO BE PUBLISHED
3PMT
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BU of 3pmt by Molmil
Crystal structure of the Tudor domain of human Tudor domain-containing protein 3
Descriptor: TETRAETHYLENE GLYCOL, Tudor domain-containing protein 3
Authors:Lam, R, Bian, C.B, Guo, Y.H, Xu, C, Kania, J, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2010-11-18
Release date:2010-12-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of TDRD3 and Methyl-Arginine Binding Characterization of TDRD3, SMN and SPF30.
Plos One, 7, 2012
3PFE
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BU of 3pfe by Molmil
Crystal structure of a M20A metallo peptidase (dapE, lpg0809) from Legionella pneumophila subsp. pneumophila str. philadelphia 1 at 1.50 A resolution
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2010-10-28
Release date:2010-11-17
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of a M20A metallo peptidase (dapE, lpg0809) from Legionella pneumophila subsp. pneumophila str. philadelphia 1 at 1.50 A resolution
To be published
3PPH
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BU of 3pph by Molmil
Crystal structure of the Candida albicans methionine synthase by surface entropy reduction, threonine variant
Descriptor: 5-methyltetrahydropteroyltriglutamate--homocysteine methyltransferase
Authors:Ubhi, D, Kavanagh, K, Monzingo, A.F, Robertus, J.D.
Deposit date:2010-11-24
Release date:2011-10-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of Candida albicans methionine synthase determined by employing surface residue mutagenesis.
Arch.Biochem.Biophys., 513, 2011
3PR9
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Structural analysis of protein folding by the Methanococcus jannaschii chaperone FKBP26
Descriptor: FKBP-type peptidyl-prolyl cis-trans isomerase
Authors:Martinez-Hackert, E, Hendrickson, W.A.
Deposit date:2010-11-29
Release date:2011-01-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural Analysis of Protein Folding by the Long-Chain Archaeal Chaperone FKBP26.
J.Mol.Biol., 407, 2011

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