3EON
 
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3EN4
 | | Targeted polypharmacology: crystal structure of the c-Src kinase domain in complex with PP121, a multitargeted kinase inhibitor | | Descriptor: | 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src | | Authors: | Blair, J.A, Apsel, B, Knight, Z.A, Shokat, K.M. | | Deposit date: | 2008-09-25 | | Release date: | 2008-10-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
Nat.Chem.Biol., 4, 2008
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3ETI
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3EL4
 | | Crystal structure of inhibitor saquinavir (SQV) complexed with the multidrug HIV-1 protease variant L63P/V82T/I84V | | Descriptor: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, ACETATE ION, Protease | | Authors: | Prabu-Jeyabalan, M, King, N, Schiffer, C. | | Deposit date: | 2008-09-19 | | Release date: | 2009-09-01 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.
Acs Chem.Biol., 7, 2012
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3EOO
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3ESS
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3EVQ
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3ERQ
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2IIU
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2IFU
 | | Crystal Structure of a Gamma-SNAP from Danio rerio | | Descriptor: | SULFATE ION, gamma-snap | | Authors: | Bitto, E, Wesenberg, G.E, Phillips Jr, G.N, Mccoy, J.G, Bingman, C.A, Center for Eukaryotic Structural Genomics (CESG) | | Deposit date: | 2006-09-21 | | Release date: | 2006-10-10 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure and dynamics of gamma-SNAP: insight into flexibility of proteins from the SNAP family.
Proteins, 70, 2008
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3EVN
 | | CRYSTAL STRUCTURE OF putative oxidoreductase from Streptococcus agalactiae 2603V/r | | Descriptor: | Oxidoreductase, Gfo/Idh/MocA family | | Authors: | Malashkevich, V.N, Toro, R, Meyer, A.J, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2008-10-13 | | Release date: | 2008-10-21 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | CRYSTAL STRUCTURE OF putative Gfo/Idh/MocA family oxidoreductase from Streptococcus agalactiae
2603V/r
To be Published
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3ETZ
 | | Crystal structure of bacterial adhesin FadA L76A mutant | | Descriptor: | Adhesin A | | Authors: | Nithianantham, S, Xu, M, Wu, N, Shoham, M, Han, Y.W. | | Deposit date: | 2008-10-08 | | Release date: | 2008-12-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of FadA Adhesin from Fusobacterium nucleatum Reveals a Novel Oligomerization Motif, the Leucine Chain.
J.Biol.Chem., 284, 2009
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3EXT
 | | Crystal structure of KGPDC from Streptococcus mutans | | Descriptor: | MAGNESIUM ION, RmpD (Hexulose-6-phosphate synthase) | | Authors: | Liu, X, Li, G.L, Li, L.F, Su, X.D. | | Deposit date: | 2008-10-17 | | Release date: | 2009-08-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Open-closed conformational change revealed by the crystal structures of 3-keto-L-gulonate 6-phosphate decarboxylase from Streptococcus mutans
Biochem.Biophys.Res.Commun., 381, 2009
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3F10
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3F3T
 | | Kinase domain of cSrc in complex with inhibitor RL38 (Type III) | | Descriptor: | 1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-naphthalen-1-ylurea, Proto-oncogene tyrosine-protein kinase Src | | Authors: | Gruetter, C, Klueter, S, Getlik, M, Rauh, D. | | Deposit date: | 2008-10-31 | | Release date: | 2009-03-03 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A new screening assay for allosteric inhibitors of cSrc
Nat.Chem.Biol., 5, 2009
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3EXX
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3EY4
 | | Further studies with the 2-amino-1,3-thiazol-4(5H)-one class of 11-hydroxysteroid dehydrogenase type 1 (11-HSD1) inhibitors: Reducing pregnane X receptor (PXR) activity and exploring activity in a monkey pharmacodynamic model | | Descriptor: | (5S)-2-{[(1S)-1-(4-fluorophenyl)ethyl]amino}-5-(1-hydroxy-1-methylethyl)-5-methyl-1,3-thiazol-4(5H)-one, 11-beta-Hydroxysteroid Dehydrogenase 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Zhang, J.D, Jordan, S.R, Li, V. | | Deposit date: | 2008-10-17 | | Release date: | 2008-11-11 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Further studies with the 2-amino-1,3-thiazol-4(5H)-one class of 11-hydroxysteroid dehydrogenase type 1 (11-HSD1) inhibitors: Reducing pregnane X receptor (PXR) activity and exploring activity in a monkey pharmacodynamic model
To be Published, 2008
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3EZ4
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3F8L
 | | Crystal Structure of the Effector Domain of PhnF from Mycobacterium smegmatis | | Descriptor: | GLYCEROL, HTH-type transcriptional repressor phnF, SULFATE ION | | Authors: | Busby, J.N, Gebhard, S, Cook, G.M, Baker, E.N, Lott, S.J, Money, V.A. | | Deposit date: | 2008-11-12 | | Release date: | 2009-11-17 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of PhnF, a GntR-family transcription regulator in Mycobacterium smegmatis
To be Published
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2IG6
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3F99
 | | W354F Yersinia enterocolitica PTPase apo form | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase yopH | | Authors: | Brandao, T.A.S, Robinson, H, Johnson, S.J, Hengge, A.C. | | Deposit date: | 2008-11-13 | | Release date: | 2009-01-20 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Impaired acid catalysis by mutation of a protein loop hinge residue in a YopH mutant revealed by crystal structures.
J.Am.Chem.Soc., 131, 2009
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3FB1
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3FCK
 | | Complex of UNG2 and a fragment-based design inhibitor | | Descriptor: | 3-({[3-({[(1E)-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methylidene]amino}oxy)propyl]amino}methyl)benzoic acid, Uracil-DNA glycosylase | | Authors: | Bianchet, M.A, Chung, S, Parker, J.B, Amzel, L.M, Stivers, J.T. | | Deposit date: | 2008-11-21 | | Release date: | 2009-04-28 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Impact of linker strain and flexibility in the design of a fragment-based inhibitor
Nat.Chem.Biol., 5, 2009
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3FEH
 | | Crystal structure of full length centaurin alpha-1 | | Descriptor: | Centaurin-alpha-1, UNKNOWN ATOM OR ION, ZINC ION | | Authors: | Shen, L, Tong, Y, Tempel, W, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-11-29 | | Release date: | 2008-12-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Phosphorylation-independent dual-site binding of the FHA domain of KIF13 mediates phosphoinositide transport via centaurin {alpha}1.
Proc.Natl.Acad.Sci.USA, 107, 2010
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3F0Z
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