4HZO
 
 | | The Structure of the Bifunctional Acetyltransferase/Decarboxylase LnmK from the Leinamycin Biosynthetic Pathway Revealing Novel Activity for a Double Hot Dog Fold | | Descriptor: | Bifunctional methylmalonyl-CoA:ACP acyltransferase/decarboxylase, CHLORIDE ION, COENZYME A | | Authors: | Lohman, J.R, Bingman, C.A, Phillips Jr, G.N, Shen, B, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | Deposit date: | 2012-11-15 | | Release date: | 2013-01-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structure of the Bifunctional Acyltransferase/Decarboxylase LnmK from the Leinamycin Biosynthetic Pathway Revealing Novel Activity for a Double-Hot-Dog Fold.
Biochemistry, 52, 2013
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5FRH
 | | Solution structure of oxidised RsrA | | Descriptor: | ANTI-SIGMA FACTOR RSRA | | Authors: | Zdanowski, K, Pecqueur, L, Werner, J, Potts, J.R, Kleanthous, C. | | Deposit date: | 2015-12-17 | | Release date: | 2016-08-03 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | The Anti-Sigma Factor Rsra Responds to Oxidative Stress by Reburying its Hydrophobic Core.
Nat.Commun., 7, 2016
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4HXB
 | | Crystal structure of 6B9 FAB | | Descriptor: | 6B9 FAB HEAVY CHAIN, 6B9 FAB LIGHT CHAIN, CALCIUM ION | | Authors: | Johal, A.R, Jarrell, H.C, Khieu, N.H, Letts, J.A, Landry, R.C, Jachymek, W, Yang, Q, Jennings, H.J, Brisson, J.R, Evans, S.V. | | Deposit date: | 2012-11-09 | | Release date: | 2013-07-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | The antigen-binding site of an N-propionylated polysialic acid-specific antibody protective against group B meningococci is consistent with extended epitopes.
Glycobiology, 23, 2013
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4HXY
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4HXA
 | | Crystal structure of 13D9 FAB | | Descriptor: | 13D9 FAB HEAVY CHAIN, 13D9 FAB LIGHT CHAIN | | Authors: | Johal, A.R, Jarrell, H.C, Khieu, N.H, Letts, J.A, Landry, R.C, Jachymek, W, Yang, Q, Jennings, H.J, Brisson, J.R, Evans, S.V. | | Deposit date: | 2012-11-09 | | Release date: | 2013-07-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | The antigen-binding site of an N-propionylated polysialic acid-specific antibody protective against group B meningococci is consistent with extended epitopes.
Glycobiology, 23, 2013
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4I0C
 | | The structure of the camelid antibody cAbHuL5 in complex with human lysozyme | | Descriptor: | CHLORIDE ION, GLYCEROL, Lysozyme C, ... | | Authors: | De Genst, E, Chan, P.H, Pardon, E, Kumita, J.R, Christodoulou, J, Menzer, L, Chirgadze, D.Y, Robinson, C.V, Muyldermans, S, Matagne, A, Wyns, L, Dobson, C.M, Dumoulin, M. | | Deposit date: | 2012-11-16 | | Release date: | 2013-10-09 | | Last modified: | 2013-11-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | A nanobody binding to non-amyloidogenic regions of the protein human lysozyme enhances partial unfolding but inhibits amyloid fibril formation.
J.Phys.Chem.B, 117, 2013
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4I91
 | | Crystal Structure of Cytochrome P450 2B6 (Y226H/K262R) in complex with alpha-Pinene. | | Descriptor: | (+)-alpha-Pinene, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... | | Authors: | Shah, M.B, Stout, C.D, Halpert, J.R. | | Deposit date: | 2012-12-04 | | Release date: | 2013-07-03 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural and Thermodynamic Basis of (+)-alpha-Pinene Binding to Human Cytochrome P450 2B6.
J.Am.Chem.Soc., 135, 2013
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4IL6
 | | Structure of Sr-substituted photosystem II | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Koua, F.H.M, Umena, Y, Kawakami, K, Kamiya, N, Shen, J.R. | | Deposit date: | 2012-12-29 | | Release date: | 2013-03-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of Sr-substituted photosystem II at 2.1 A resolution and its implications in the mechanism of water oxidation
Proc.Natl.Acad.Sci.USA, 110, 2013
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4IMV
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4IBM
 | | Crystal structure of insulin receptor kinase domain in complex with an inhibitor Irfin-1 | | Descriptor: | 5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-3H-pyrazolo[3,4-c]pyridazin-3-one, Insulin receptor | | Authors: | Wu, J, Anastassiadis, T, Duong-Ly, K.C, Peterson, J.R. | | Deposit date: | 2012-12-08 | | Release date: | 2013-08-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A highly selective dual insulin receptor (IR)/insulin-like growth factor 1 receptor (IGF-1R) inhibitor derived from an extracellular signal-regulated kinase (ERK) inhibitor.
J.Biol.Chem., 288, 2013
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4IGB
 | | Crystal structure of the N-terminal domain of the Streptococcus gordonii adhesin Sgo0707 | | Descriptor: | ACETATE ION, GLYCEROL, LPXTG cell wall surface protein, ... | | Authors: | Nylander, A, Svensater, G, Senadheera, D.B, Cvitkovitch, D.G, Davies, J.R, Persson, K. | | Deposit date: | 2012-12-17 | | Release date: | 2013-06-05 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Structural and Functional Analysis of the N-terminal Domain of the Streptococcus gordonii Adhesin Sgo0707
Plos One, 8, 2013
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4IUW
 | | Crystal structure of PEPO from Lactobacillus rhamnosis HN001 (DR20) | | Descriptor: | CARBONATE ION, CITRIC ACID, Neutral endopeptidase, ... | | Authors: | Anderson, B.F, Knapp, K.M, Holland, R, Norris, G.E, Christensson, C, Bratt, H, Collins, L.J, Coolbear, T, Lubbers, M.W, Toole, P.W.O, Reid, J.R, Jameson, G.B. | | Deposit date: | 2013-01-21 | | Release date: | 2013-03-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of PEPO from Lactobacillus rhamnosis HN001 (DR20)
TO BE PUBLISHED
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4IYN
 | | Structure of mitochondrial Hsp90 (TRAP1) with ADP-ALF4- | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, COBALT (II) ION, MAGNESIUM ION, ... | | Authors: | Partridge, J.R, Lavery, L.A, Agard, D.A. | | Deposit date: | 2013-01-28 | | Release date: | 2014-01-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.312 Å) | | Cite: | Structural asymmetry in the closed state of mitochondrial Hsp90 (TRAP1) supports a two-step ATP hydrolysis mechanism.
Mol.Cell, 53, 2014
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5HLL
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5HML
 | | Crystal Structure of T5 D15 Protein Co-crystallized with Metal Ions | | Descriptor: | 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | Authors: | Flemming, C.S, Feng, M, Sedelnikova, S.E, Zhang, J, Rafferty, J.B, Sayers, J.R, Artymiuk, P.J. | | Deposit date: | 2016-01-16 | | Release date: | 2016-06-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.482 Å) | | Cite: | Direct observation of DNA threading in flap endonuclease complexes.
Nat.Struct.Mol.Biol., 23, 2016
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4JLT
 | | Crystal structure of P450 2B4(H226Y) in complex with paroxetine | | Descriptor: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, GLYCEROL, ... | | Authors: | Shah, M.B, Pascual, J, Stout, C.D, Halpert, J.R. | | Deposit date: | 2013-03-13 | | Release date: | 2013-06-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | A Structural Snapshot of CYP2B4 in Complex with Paroxetine Provides Insights into Ligand Binding and Clusters of Conformational States.
J.Pharmacol.Exp.Ther., 346, 2013
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5FET
 | | Crystal Structure of PVX_084705 in presence of Compound 2 | | Descriptor: | 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine, cGMP-dependent protein kinase, putative | | Authors: | Wernimont, A.K, Tempel, W, Walker, J.R, He, H, Seitova, A, Hills, T, Neculai, A.M, Baker, D.A, Flueck, C, Kettleborough, C.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Hutchinson, A, El Bakkouri, M, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-12-17 | | Release date: | 2016-01-13 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.07 Å) | | Cite: | Crystal Structure of PVX_084705 in presence of Compound 2
To be published
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5CYF
 | | Crystal structure of isoform 2 of uridine phosphorylase from Schistosoma mansoni in complex with citrate | | Descriptor: | CITRATE ANION, Putative uridine phosphorylase | | Authors: | Romanello, L, Torini, J.R, DeMarco, R, Pereira, H.M. | | Deposit date: | 2015-07-30 | | Release date: | 2016-03-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.983 Å) | | Cite: | Analysis of two Schistosoma mansoni uridine phosphorylases isoforms suggests the emergence of a protein with a non-canonical function.
Biochimie, 125, 2016
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4K02
 | | Crystal structure of AtDHNAT1, a 1,4-dihydroxy-2-naphthoyl-CoA thioesterase from Arabidopsis thaliana | | Descriptor: | 1,4-dihydroxy-2-naphthoyl-CoA thioesterase | | Authors: | Furt, F, Allen, W.J, Widhalm, J.R, Madzelan, P, Rizzo, R.C, Basset, G, Wilson, M.A. | | Deposit date: | 2013-04-03 | | Release date: | 2013-04-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Functional convergence of structurally distinct thioesterases from cyanobacteria and plants involved in phylloquinone biosynthesis.
Acta Crystallogr.,Sect.D, 69, 2013
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4K7R
 | | Crystal structures of CusC review conformational changes accompanying folding and transmembrane channel formation | | Descriptor: | (2S)-1-(pentanoyloxy)propan-2-yl hexanoate, Cation efflux system protein CusC | | Authors: | Su, C.-C, Lei, H.-T, Bolla, J.R, Yu, E.W. | | Deposit date: | 2013-04-17 | | Release date: | 2013-10-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.094 Å) | | Cite: | Crystal Structures of CusC Review Conformational Changes Accompanying Folding and Transmembrane Channel Formation.
J.Mol.Biol., 426, 2014
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5HYN
 | | Structure of Human Polycomb Repressive Complex 2 (PRC2) with oncogenic histone H3K27M peptide | | Descriptor: | H3K27M, Histone-lysine N-methyltransferase EZH2, JARID2 K116me3, ... | | Authors: | Zhang, Y, Justin, N, Wilson, J.R, Gamblin, S.J. | | Deposit date: | 2016-02-01 | | Release date: | 2016-05-11 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Structural basis of oncogenic histone H3K27M inhibition of human polycomb repressive complex 2.
Nat Commun, 7, 2016
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4K8J
 | | Crystal Structure of Staphylococcal nuclease mutant V23L/V66I | | Descriptor: | Thermonuclease | | Authors: | Sanders, J.M, Gill, E, Roeser, J.R, Janowska, K, Sakon, J, Stites, W.E. | | Deposit date: | 2013-04-18 | | Release date: | 2013-05-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Hydrophobic core mutants of Staphylococcal nuclease
To be Published
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5HMM
 | | Crystal Structure of T5 D15 Protein Co-crystallized with Metal Ions | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Exodeoxyribonuclease, ... | | Authors: | Flemming, C.S, Sedelnikova, S.E, Rafferty, J.B, Sayers, J.R, Artymiuk, P.J. | | Deposit date: | 2016-01-16 | | Release date: | 2016-06-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Direct observation of DNA threading in flap endonuclease complexes.
Nat.Struct.Mol.Biol., 23, 2016
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5HP4
 | | Crystal structure bacteriohage T5 D15 flap endonuclease (D155K) pseudo-enzyme-product complex with DNA and metal ions | | Descriptor: | CALCIUM ION, DNA (5'-D(*GP*AP*TP*CP*TP*AP*TP*AP*TP*GP*CP*CP*AP*TP*CP*GP*G)-3'), Exodeoxyribonuclease, ... | | Authors: | Almalki, F.A, Zhang, J, Sedelnikova, S.E, Rafferty, J.B, Sayers, J.R, Artymiuk, P.A. | | Deposit date: | 2016-01-20 | | Release date: | 2016-06-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Direct observation of DNA threading in flap endonuclease complexes.
Nat.Struct.Mol.Biol., 23, 2016
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5HVY
 | | CDK8/CYCC IN COMPLEX WITH COMPOUND 20 | | Descriptor: | CHLORIDE ION, Cyclin-C, Cyclin-dependent kinase 8, ... | | Authors: | Kiefer, J.R, Schneider, E.V, Maskos, K, Bergeron, P, Koehler, M. | | Deposit date: | 2016-01-28 | | Release date: | 2016-04-20 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Design and Development of a Series of Potent and Selective Type II Inhibitors of CDK8.
Acs Med.Chem.Lett., 7, 2016
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