3R1F
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![BU of 3r1f by Molmil](/molmil-images/mine/3r1f) | Crystal structure of a key regulator of virulence in Mycobacterium tuberculosis | Descriptor: | ESX-1 secretion-associated regulator EspR | Authors: | Rosenberg, O.S, Dovey, C, Finer-Moore, J, Stroud, R.M, Cox, J.S. | Deposit date: | 2011-03-10 | Release date: | 2011-08-03 | Last modified: | 2011-08-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | EspR, a key regulator of Mycobacterium tuberculosis virulence, adopts a unique dimeric structure among helix-turn-helix proteins. Proc.Natl.Acad.Sci.USA, 108, 2011
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3R0T
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![BU of 3r0t by Molmil](/molmil-images/mine/3r0t) | Crystal structure of human protein kinase CK2 alpha subunit in complex with the inhibitor CX-5279 | Descriptor: | 1,2-ETHANEDIOL, 3-(cyclopropylamino)-5-{[3-(trifluoromethyl)phenyl]amino}pyrimido[4,5-c]quinoline-8-carboxylic acid, Casein kinase II subunit alpha, ... | Authors: | Battistutta, R, Papinutto, E, Lolli, G, Pierre, F, Haddach, M, Ryckman, D.M. | Deposit date: | 2011-03-09 | Release date: | 2011-12-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Unprecedented selectivity and structural determinants of a new class of protein kinase CK2 inhibitors in clinical trials for the treatment of cancer. Biochemistry, 50, 2011
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3R2D
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3R1N
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![BU of 3r1n by Molmil](/molmil-images/mine/3r1n) | MK3 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 3 | Authors: | Oubrie, A, Kazemier, B. | Deposit date: | 2011-03-11 | Release date: | 2011-05-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structure-based lead identification of ATP-competitive MK2 inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
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3R2R
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![BU of 3r2r by Molmil](/molmil-images/mine/3r2r) | 1.65A resolution structure of Iron Soaked FtnA from Pseudomonas aeruginosa (pH 6.0) | Descriptor: | Bacterioferritin, FE (III) ION, 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 (1.65 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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3R1Z
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![BU of 3r1z by Molmil](/molmil-images/mine/3r1z) | Crystal structure of NYSGRC enolase target 200555, a putative dipeptide epimerase from Francisella philomiragia : Complex with L-Ala-L-Glu and L-Ala-D-Glu | Descriptor: | ALANINE, D-GLUTAMIC ACID, Enzyme of enolase superfamily, ... | 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: | 2011-03-11 | Release date: | 2011-04-20 | Last modified: | 2012-03-28 | Method: | X-RAY DIFFRACTION (1.9 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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3R48
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![BU of 3r48 by Molmil](/molmil-images/mine/3r48) | Crystal structure of a hetero-hexamer coiled coil | Descriptor: | GLYCEROL, coiled coil helix W22-L24H, coiled coil helix Y15-L24D | 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 (2.0011 Å) | Cite: | A de novo peptide hexamer with a mutable channel. Nat.Chem.Biol., 7, 2011
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3R2M
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![BU of 3r2m by Molmil](/molmil-images/mine/3r2m) | 1.8A resolution structure of Doubly Soaked FtnA from Pseudomonas aeruginosa (pH 7.5) | Descriptor: | Bacterioferritin, FE (III) ION, 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 (1.8 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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3R4H
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3R4R
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3R3O
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![BU of 3r3o by Molmil](/molmil-images/mine/3r3o) | Crystal structure of Staphylococcal nuclease variant Delta+PHS T62A at cryogenic temperature and with high redundancy | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | Authors: | Caro, J.A, Schlessman, J.L, Garcia-Moreno E, B. | Deposit date: | 2011-03-16 | Release date: | 2011-03-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Cavities determine the pressure unfolding of proteins. Proc.Natl.Acad.Sci.USA, 109, 2012
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3R3V
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![BU of 3r3v by Molmil](/molmil-images/mine/3r3v) | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn/Fluoroacetate | Descriptor: | CALCIUM ION, CHLORIDE ION, Fluoroacetate dehalogenase, ... | Authors: | Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F. | Deposit date: | 2011-03-16 | Release date: | 2011-05-04 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Mapping the reaction coordinates of enzymatic defluorination. J.Am.Chem.Soc., 133, 2011
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3R77
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![BU of 3r77 by Molmil](/molmil-images/mine/3r77) | Crystal structure of the D38A mutant of isochorismatase PhzD from Pseudomonas fluorescens 2-79 in complex with 2-amino-2-desoxyisochorismate ADIC | Descriptor: | (5S,6S)-6-amino-5-[(1-carboxyethenyl)oxy]cyclohexa-1,3-diene-1-carboxylic acid, CHLORIDE ION, Probable isochorismatase | Authors: | Li, Q.A, Mavrodi, D.V, Thomashow, L.S, Roessle, M, Blankenfeldt, W. | Deposit date: | 2011-03-22 | Release date: | 2011-03-30 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Ligand Binding Induces an Ammonia Channel in 2-Amino-2-desoxyisochorismate (ADIC) Synthase PhzE. J.Biol.Chem., 286, 2011
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3RA3
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![BU of 3ra3 by Molmil](/molmil-images/mine/3ra3) | Crystal structure of a section of a de novo design gigaDalton protein fibre | Descriptor: | SODIUM ION, p1c, p2f | Authors: | Zaccai, N.R, Sharp, T.H, Bruning, M, Woolfson, D.N, Brady, R.L. | Deposit date: | 2011-03-27 | Release date: | 2012-08-08 | Last modified: | 2013-06-19 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Cryo-transmission electron microscopy structure of a gigadalton peptide fiber of de novo design Proc.Natl.Acad.Sci.USA, 109, 2012
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3RD0
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![BU of 3rd0 by Molmil](/molmil-images/mine/3rd0) | Horse spleen apo-ferritin with bound thiopental | Descriptor: | 5-ethyl-5-[(2R)-pentan-2-yl]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, CADMIUM ION, Ferritin light chain, ... | Authors: | Oakley, S.H, Vedula, L.S, Xi, J, Liu, R, Eckenhoff, R.G, Loll, P.J. | Deposit date: | 2011-03-31 | Release date: | 2011-05-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | High resolution view of barbiturate recognition by a protein binding site to be published
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3RDW
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![BU of 3rdw by Molmil](/molmil-images/mine/3rdw) | Putative arsenate reductase from Yersinia pestis | Descriptor: | Putative arsenate reductase, SULFATE ION | Authors: | Osipiuk, J, Maltseva, N, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2011-04-01 | Release date: | 2011-04-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Putative arsenate reductase from Yersinia pestis. To be Published
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3RCY
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![BU of 3rcy by Molmil](/molmil-images/mine/3rcy) | CRYSTAL STRUCTURE OF Mandelate racemase/muconate lactonizing enzyme-like protein from Roseovarius sp. TM1035 | Descriptor: | GLYCEROL, MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme-like protein, ... | Authors: | Malashkevich, V.N, Toro, R, Seidel, R, Garrett, S, Foti, R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2011-03-31 | Release date: | 2011-05-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.994 Å) | Cite: | CRYSTAL STRUCTURE OF Mandelate racemase/muconate lactonizing enzyme-like protein from Roseovarius sp. TM1035 To be Published
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3RG4
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3RGF
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![BU of 3rgf by Molmil](/molmil-images/mine/3rgf) | Crystal Structure of human CDK8/CycC | Descriptor: | 1,2-ETHANEDIOL, 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, Cyclin-C, ... | Authors: | Schneider, E.V, Boettcher, J, Blaesse, M, Huber, R, Maskos, K. | Deposit date: | 2011-04-08 | Release date: | 2011-08-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Structure of CDK8/CycC Implicates Specificity in the CDK/Cyclin Family and Reveals Interaction with a Deep Pocket Binder. J.Mol.Biol., 412, 2011
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3RGR
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3RHH
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![BU of 3rhh by Molmil](/molmil-images/mine/3rhh) | Crystal structure of NADP-dependent glyceraldehyde-3-phosphate dehydrogenase from Bacillus halodurans C-125 complexed with NADP | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADP-dependent glyceraldehyde-3-phosphate dehydrogenase, SULFATE ION | Authors: | Malashkevich, V.N, Toro, R, Seidel, R, Garrett, S, Foti, R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2011-04-11 | Release date: | 2011-05-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of NADP-dependent glyceraldehyde-3-phosphate dehydrogenase from Bacillus halodurans C-125 complexed with NADP To be Published
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3RIE
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![BU of 3rie by Molmil](/molmil-images/mine/3rie) | The structure of Plasmodium falciparum spermidine synthase in complex with 5'-methylthioadenosine and N-(3-aminopropyl)-trans-cyclohexane-1,4-diamine | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, GLYCEROL, ... | Authors: | Williams, M, Sprenger, J, Persson, L, Louw, A.I, Birkholtz, L, Al-Karadaghi, S. | Deposit date: | 2011-04-13 | Release date: | 2012-04-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A novel inhibitor of Plasmodium falciparum spermidine synthase: a twist in the tail. Malar J, 14, 2015
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3RI6
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![BU of 3ri6 by Molmil](/molmil-images/mine/3ri6) | A Novel Mechanism of Sulfur Transfer Catalyzed by O-Acetylhomoserine Sulfhydrylase in Methionine Biosynthetic Pathway of Wolinella succinogenes | Descriptor: | O-ACETYLHOMOSERINE SULFHYDRYLASE | Authors: | Tran, T.H, Krishnamoorthy, K, Begley, T.P, Ealick, S.E. | Deposit date: | 2011-04-13 | Release date: | 2011-08-17 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A novel mechanism of sulfur transfer catalyzed by O-acetylhomoserine sulfhydrylase in the methionine-biosynthetic pathway of Wolinella succinogenes. Acta Crystallogr.,Sect.D, 67, 2011
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3RJT
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![BU of 3rjt by Molmil](/molmil-images/mine/3rjt) | Crystal structure of lipolytic protein G-D-S-L family from Alicyclobacillus acidocaldarius subsp. acidocaldarius DSM 446 | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | Authors: | Chang, C, Chhor, G, Bearden, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2011-04-15 | Release date: | 2011-04-27 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of lipolytic protein G-D-S-L family from Alicyclobacillus acidocaldarius subsp. acidocaldarius DSM 446 To be Published
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3RK6
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![BU of 3rk6 by Molmil](/molmil-images/mine/3rk6) | |