3RS5
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![BU of 3rs5 by Molmil](/molmil-images/mine/3rs5) | H-Ras soaked in 55% dimethylformamide: 1 of 10 in MSCS set | Descriptor: | CALCIUM ION, DIMETHYLFORMAMIDE, GTPase HRas, ... | 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 (1.68 Å) | Cite: | Analysis of Binding Site Hot Spots on the Surface of Ras GTPase. J.Mol.Biol., 413, 2011
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3RSG
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![BU of 3rsg by Molmil](/molmil-images/mine/3rsg) | 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 NAD. | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W. | Deposit date: | 2011-05-02 | Release date: | 2011-07-27 | 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
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3R6W
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![BU of 3r6w by Molmil](/molmil-images/mine/3r6w) | paAzoR1 binding to nitrofurazone | Descriptor: | FLAVIN MONONUCLEOTIDE, FMN-dependent NADH-azoreductase 1, GLYCEROL, ... | Authors: | Ryan, A, Kaplan, K, Laurieri, N, Lowe, E, Sim, E. | Deposit date: | 2011-03-22 | Release date: | 2011-08-24 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.085 Å) | Cite: | Activation of nitrofurazone by azoreductases: multiple activities in one enzyme. Sci Rep, 1, 2011
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3R7D
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![BU of 3r7d by Molmil](/molmil-images/mine/3r7d) | Crystal Structure of Unliganded Aspartate Transcarbamoylase from Bacillus subtilis | Descriptor: | Aspartate carbamoyltransferase, PHOSPHATE ION | Authors: | Puleo, D.E, Harris, K.M, Cockrell, G.M, Kantrowitz, E.R. | Deposit date: | 2011-03-22 | Release date: | 2011-06-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.196 Å) | Cite: | Crystallographic Snapshots of the Complete Catalytic Cycle of the Unregulated Aspartate Transcarbamoylase from Bacillus subtilis. J.Mol.Biol., 411, 2011
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3R7R
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![BU of 3r7r by Molmil](/molmil-images/mine/3r7r) | Structure-based design of thienobenzoxepin inhibitors of PI3-Kinase | Descriptor: | 8-(acetylamino)-N-(2-chlorophenyl)-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Murray, J.M, Wiesmann, C. | Deposit date: | 2011-03-22 | Release date: | 2011-08-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure-based design of thienobenzoxepin inhibitors of PI3-kinase. Bioorg.Med.Chem.Lett., 21, 2011
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3RT9
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![BU of 3rt9 by Molmil](/molmil-images/mine/3rt9) | 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 Coenzyme A | Descriptor: | COENZYME A, POTASSIUM ION, Putative uncharacterized protein, ... | 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 (1.952 Å) | Cite: | Identification of unknown protein function using metabolite cocktail screening. Structure, 20, 2012
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3R11
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![BU of 3r11 by Molmil](/molmil-images/mine/3r11) | Crystal structure of NYSGRC enolase target 200555, a putative dipeptide epimerase from Francisella philomiragia : Mg and Fumarate complex | Descriptor: | Enzyme of enolase superfamily, FUMARIC ACID, GLYCEROL, ... | Authors: | Vetting, M.W, Hillerich, B, Seidel, R.D, Zencheck, W.D, Toro, R, Imker, H.J, Gerlt, J.A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2011-03-09 | Release date: | 2011-04-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily. Proc.Natl.Acad.Sci.USA, 109, 2012
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3R9G
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3RA2
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![BU of 3ra2 by Molmil](/molmil-images/mine/3ra2) | Structural studies of AAV8 capsid transitions associated with endosomal trafficking | Descriptor: | Capsid protein | Authors: | Nam, H.-J, Gurda, B, McKenna, R, Porter, M, Byrne, B, Salganik, M, Muzyczka, N, Agbandje-McKenna, M. | Deposit date: | 2011-03-26 | Release date: | 2011-09-21 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural studies of adeno-associated virus serotype 8 capsid transitions associated with endosomal trafficking. J.Virol., 85, 2011
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3R2E
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![BU of 3r2e by Molmil](/molmil-images/mine/3r2e) | Dihydroneopterin aldolase/dihydroneopterin triphosphate 2'-epimerase from Yersinia pestis. | Descriptor: | Dihydroneopterin aldolase | Authors: | Osipiuk, J, Maltseva, N, Makowska-Grzyska, M, Papazisi, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2011-03-14 | Release date: | 2011-03-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Dihydroneopterin aldolase/dihydroneopterin triphosphate 2'-epimerase from Yersinia pestis To be Published
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3R2K
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![BU of 3r2k by Molmil](/molmil-images/mine/3r2k) | 1.55A resolution structure of As-Isolated FtnA from Pseudomonas aeruginosa (pH 7.5) | Descriptor: | Bacterioferritin, SODIUM ION | Authors: | Lovell, S.W, Battaile, K.P, Yao, H, Jepkorir, G, Nama, P.V, Weeratunga, S, Rivera, M. | Deposit date: | 2011-03-14 | Release date: | 2011-05-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Two distinct ferritin-like molecules in Pseudomonas aeruginosa: the product of the bfrA gene is a bacterial ferritin (FtnA) and not a bacterioferritin (Bfr). Biochemistry, 50, 2011
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3R47
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![BU of 3r47 by Molmil](/molmil-images/mine/3r47) | Crystal structure of a 6-helix coiled coil CC-hex-H24 | Descriptor: | BROMIDE ION, coiled coil helix L24H | Authors: | Zaccai, N.R, Chi, B.H.C, Woolfson, D.N, Brady, R.L. | Deposit date: | 2011-03-17 | Release date: | 2011-11-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.5002 Å) | Cite: | A de novo peptide hexamer with a mutable channel. Nat.Chem.Biol., 7, 2011
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3R4I
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![BU of 3r4i by Molmil](/molmil-images/mine/3r4i) | |
3R67
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![BU of 3r67 by Molmil](/molmil-images/mine/3r67) | |
3R89
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![BU of 3r89 by Molmil](/molmil-images/mine/3r89) | |
3RH2
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![BU of 3rh2 by Molmil](/molmil-images/mine/3rh2) | |
3RSC
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![BU of 3rsc by Molmil](/molmil-images/mine/3rsc) | Crystal Structure of CalG2, Calicheamicin Glycosyltransferase, TDP and calicheamicin T0 bound form | Descriptor: | CalG2, Calicheamicin T0, PHOSPHATE ION, ... | Authors: | Chang, A, Helmich, K.E, Singh, S, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2011-05-02 | Release date: | 2011-08-10 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Complete set of glycosyltransferase structures in the calicheamicin biosynthetic pathway reveals the origin of regiospecificity. Proc.Natl.Acad.Sci.USA, 108, 2011
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3R2C
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3Q5R
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![BU of 3q5r by Molmil](/molmil-images/mine/3q5r) | Crystal structure of BmrR bound to Kanamycin | Descriptor: | 23 bp promoter DNA, KANAMYCIN A, Multidrug-efflux transporter 1 regulator | Authors: | Bachas, S, Eginton, C, Gunio, G, Wade, H. | Deposit date: | 2010-12-29 | Release date: | 2011-07-20 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Structural contributions to multidrug recognition in the multidrug resistance (MDR) gene regulator, BmrR. Proc.Natl.Acad.Sci.USA, 108, 2011
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3Q65
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![BU of 3q65 by Molmil](/molmil-images/mine/3q65) | Human Aldose Reductase in Complex with NADP+ in Space Group P212121 | Descriptor: | Aldose reductase, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Sawaya, M.R, Cascio, D, Balendiran, G.K. | Deposit date: | 2010-12-30 | Release date: | 2011-01-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | The role of Cys-298 in aldose reductase function. J.Biol.Chem., 286, 2011
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3Q88
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![BU of 3q88 by Molmil](/molmil-images/mine/3q88) | Glucose-6-phosphate isomerase from Francisella tularensis complexed with ribose 1,5-bisphosphate. | Descriptor: | 1,5-di-O-phosphono-alpha-D-ribofuranose, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Osipiuk, J, Maltseva, N, Hasseman, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2011-01-06 | Release date: | 2011-01-19 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Glucose-6-phosphate isomerase from Francisella tularensis. To be Published
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3Q5Z
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3QD4
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![BU of 3qd4 by Molmil](/molmil-images/mine/3qd4) | Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 1,1-Dimethylethyl{(3R,5R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)-4-pyrimidinyl]-5-methyl-3-piperidinyl}carbamate | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, SULFATE ION, tert-butyl {(3R,5R)-1-[2-amino-6-(3-amino-2H-indazol-6-yl)pyrimidin-4-yl]-5-methylpiperidin-3-yl}carbamate | Authors: | Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M. | Deposit date: | 2011-01-17 | Release date: | 2011-03-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors. J.Med.Chem., 54, 2011
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3QDM
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3Q81
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![BU of 3q81 by Molmil](/molmil-images/mine/3q81) | Imipenem acylated BlaR1 sensor domain from Staphylococcus aureus | Descriptor: | (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase regulatory protein BlaR1, GLYCEROL | Authors: | Borbulevych, O.Y, Mobashery, S, Baker, B.M. | Deposit date: | 2011-01-05 | Release date: | 2011-07-20 | Last modified: | 2013-01-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Lysine Nzeta-decarboxylation switch and activation of the beta-lactam sensor domain of BlaR1 protein of methicillin-resistant Staphylococcus aureus. J.Biol.Chem., 286, 2011
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