3HDZ
 
 | | Identification, Synthesis, and SAR of Amino Substituted Pyrido[3,2b]pryaziones as Potent and Selective PDE5 Inhibitors | | Descriptor: | 5-amino-1-butyl-7-phenyl-1,6-naphthyridin-4(1H)-one, MAGNESIUM ION, ZINC ION, ... | | Authors: | Cubbage, J.W, Brown, D.G, Jacobsen, E.J, Walker, J.K, Hughes, R.O. | | Deposit date: | 2009-05-07 | | Release date: | 2009-07-07 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Identification, synthesis and SAR of amino substituted pyrido[3,2b]pyrazinones as potent and selective PDE5 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
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3HJ9
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3HFD
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3HFO
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3HE4
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3HG8
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3HGD
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3HEM
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3HIW
 | | Crystal structure of Saporin-L1 in complex with the cyclic tetranucleotide inhibitor, a transition state analogue | | Descriptor: | 9,9'-{(2R,3R,3aR,5S,7aR,9R,10R,10aR,12S,23R,25aR,27R,28R,28aR,30S,32aR,35aR,37S,39aR)-9-(6-amino-9H-purin-9-yl)-34-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-5,12,23,30,37-pentahydroxy-3,10,28-trimethoxy-5,12,23,30,37-pentaoxidotetracosahydro-2H,7H,25H-trifuro[3,2-f:3',2'-l:3'',2''-x]pyrrolo[3,4-r][1,3,5,9,11,15,17,21,23,27,29,2,4,10,16,22,28]undecaoxazapentaphosphacyclopentatriacontine-2,27-diyl}bis(2-amino-3,9-dihydro-6H-purin-6-one), Vacuolar saporin | | Authors: | Ho, M, Sturm, M.B, Almo, S.C, Schramm, V.L. | | Deposit date: | 2009-05-20 | | Release date: | 2009-12-08 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Transition state analogues in structures of ricin and saporin ribosome-inactivating proteins.
Proc.Natl.Acad.Sci.USA, 106, 2009
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3GJA
 | | CytC3 | | Descriptor: | ACETATE ION, CytC3 | | Authors: | Wong, C, Drennan, C.L. | | Deposit date: | 2009-03-08 | | Release date: | 2009-04-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural analysis of an open active site conformation of nonheme iron halogenase CytC3
J.Am.Chem.Soc., 131, 2009
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3GI5
 | | Crystal structure of protease inhibitor, KB62 in complex with wild type HIV-1 protease | | Descriptor: | (5S)-3-(3-Acetylphenyl)-N-[(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)pr opyl]-2-oxo-5-oxazolidinecarboxamide, PHOSPHATE ION, Protease | | Authors: | Nalam, M.N.L, Schiffer, C.A. | | Deposit date: | 2009-03-05 | | Release date: | 2010-03-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Evaluating the substrate-envelope hypothesis: structural analysis of novel HIV-1 protease inhibitors designed to be robust against drug resistance.
J.Virol., 84, 2010
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3GIM
 | | Dpo4 extension ternary complex with oxoG(anti)-G(syn) pair | | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*CP*TP*AP*AP*CP*(8OG)P*CP*TP*AP*CP*CP*AP*TP*CP*CP*AP*AP*C)-3', 5'-D(*GP*TP*TP*GP*GP*AP*TP*GP*GP*TP*AP*GP*(DDG))-3', ... | | Authors: | Rechkoblit, O, Malinina, L, Patel, D.J. | | Deposit date: | 2009-03-05 | | Release date: | 2009-05-19 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Impact of conformational heterogeneity of OxoG lesions and their pairing partners on bypass fidelity by Y family polymerases.
Structure, 17, 2009
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3FYO
 | | Crystal structure of the triple mutant (N23C/D247E/P249A) of 3-deoxy-D-manno-octulosonate 8-phosphate synthase (KDO8PS) from Neisseria meningitidis | | Descriptor: | 3-deoxy-D-manno-octulosonic acid 8-phosphate synthetase, CHLORIDE ION, MANGANESE (II) ION, ... | | Authors: | Jameson, G.B, Parker, E.J, Cochrane, F.P, Patchett, M.L. | | Deposit date: | 2009-01-22 | | Release date: | 2009-03-24 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Reversing evolution: re-establishing obligate metal ion dependence in a metal-independent KDO8P synthase
J.Mol.Biol., 390, 2009
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3FZD
 | | Mutation of Asn28 disrupts the enzymatic activity and dimerization of SARS 3CLpro | | Descriptor: | 3C-like proteinase | | Authors: | Barrila, J, Gabelli, S, Bacha, U, Amzel, L.M, Freire, E. | | Deposit date: | 2009-01-25 | | Release date: | 2010-05-05 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Mutation of Asn28 disrupts the dimerization and enzymatic activity of SARS 3CL(pro) .
Biochemistry, 49, 2010
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3FXI
 | | Crystal structure of the human TLR4-human MD-2-E.coli LPS Ra complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-HYDROXY-TETRADECANOIC ACID, ... | | Authors: | Park, B.S, Song, D.H, Kim, H.M, Lee, J.-O. | | Deposit date: | 2009-01-21 | | Release date: | 2009-03-03 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | The structural basis of lipopolysaccharide recognition by the TLR4-MD-2 complex
Nature, 458, 2009
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3G0J
 | | Crystal Structure of the fifth Bromodomain of Human Poly-bromodomain containing protein 1 (PB1) | | Descriptor: | 1,2-ETHANEDIOL, NITRATE ION, Protein polybromo-1 | | Authors: | Filippakopoulos, P, Keates, T, Picaud, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-01-28 | | Release date: | 2009-02-10 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Crystal Structure of the fifth Bromodomain of Human Poly-bromodomain containing protein 1 (PB1)
To be Published
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3FYJ
 | | Crystal structure of an optimzied benzothiophene inhibitor bound to MAPKAP Kinase-2 (MK-2) | | Descriptor: | (10R)-10-methyl-3-(6-methylpyridin-3-yl)-9,10,11,12-tetrahydro-8H-[1,4]diazepino[5',6':4,5]thieno[3,2-f]quinolin-8-one, MAP kinase-activated protein kinase 2 | | Authors: | Kurumbail, R.G, Caspers, N. | | Deposit date: | 2009-01-22 | | Release date: | 2009-04-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Benzothiophene inhibitors of MK2. Part 2: improvements in kinase selectivity and cell potency.
Bioorg.Med.Chem.Lett., 19, 2009
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3FZ3
 | | Crystal Structure of almond Pru1 protein | | Descriptor: | CALCIUM ION, Prunin, SODIUM ION | | Authors: | Jin, T.C, Zhang, Y.Z. | | Deposit date: | 2009-01-23 | | Release date: | 2009-11-10 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of prunin-1, a major component of the almond (Prunus dulcis) allergen amandin.
J.Agric.Food Chem., 57, 2009
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3G0Y
 | | Structure of E. coli FabF(C163Q) in complex with dihydroplatensimycin | | Descriptor: | 3-({3-[(1S,4aS,6S,7S,9S,9aR)-1,6-dimethyl-2-oxodecahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)-2,4-dihydroxybenzoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 2 | | Authors: | Soisson, S.M, Parthasarathy, G. | | Deposit date: | 2009-01-29 | | Release date: | 2009-03-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Synthesis and biological evaluation of platensimycin analogs.
Bioorg.Med.Chem.Lett., 19, 2009
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3G27
 | | Structure of a putative bacteriophage protein from Escherichia coli str. K-12 substr. MG1655 | | Descriptor: | 1,2-ETHANEDIOL, 82 prophage-derived uncharacterized protein ybcO, CALCIUM ION, ... | | Authors: | Cuff, M.E, Evdokimova, E, Kudritska, M, Edwards, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2009-01-30 | | Release date: | 2009-03-24 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of a putative bacteriophage protein from Escherichia coli str. K-12 substr. MG1655
TO BE PUBLISHED
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3G19
 | | The structure of the Caulobacter crescentus clpS protease adaptor protein in complex with LLL tripeptide | | Descriptor: | ATP-dependent Clp protease adapter protein clpS, LLL tripeptide | | Authors: | Baker, T.A, Roman-Hernandez, G, Sauer, R.T, Grant, R.A. | | Deposit date: | 2009-01-29 | | Release date: | 2009-04-28 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.849 Å) | | Cite: | Molecular basis of substrate selection by the N-end rule adaptor protein ClpS.
Proc.Natl.Acad.Sci.USA, 106, 2009
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3G2V
 | | VHS Domain of human GGA1 complexed with Sotilin C-terminal Phosphopeptide | | Descriptor: | ADP-ribosylation factor-binding protein GGA1, C-terminal fragment of Sortilin, IODIDE ION | | Authors: | Cramer, J.F, Behrens, M.A, Gustafsen, C, Oliveira, C.L.P, Pedersen, J.S, Madsen, P, Petersen, C.M, Thirup, S.S. | | Deposit date: | 2009-02-01 | | Release date: | 2009-12-15 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | GGA autoinhibition revisited
Traffic, 11, 2010
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3G2W
 | | VHS Domain of human GGA1 complexed with a DXXLL hinge peptide | | Descriptor: | ADP-ribosylation factor-binding protein GGA1, Internal peptide of the Hinge domain of ADP-ribosylation factor-binding protein GGA1 | | Authors: | Cramer, J.F, Behrens, M.A, Gustafsen, C, Oliveira, C.L.P, Pedersen, J.S, Madsen, P, Petersen, C.M, Thirup, S.S. | | Deposit date: | 2009-02-01 | | Release date: | 2009-12-15 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | GGA autoinhibition revisited
Traffic, 11, 2010
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3G3V
 | | Crystal structure of spin labeled T4 Lysozyme (V131R1) at 291 K | | Descriptor: | 2-HYDROXYETHYL DISULFIDE, AZIDE ION, CHLORIDE ION, ... | | Authors: | Fleissner, M.R, Cascio, D, Hubbell, W.L. | | Deposit date: | 2009-02-02 | | Release date: | 2009-05-05 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural origin of weakly ordered nitroxide motion in spin-labeled proteins.
Protein Sci., 18, 2009
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3G4H
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