4K7Q
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![BU of 4k7q by Molmil](/molmil-images/mine/4k7q) | Crystal Structure of AcrB Complexed with Linezolid at 3.5 Resolution | Descriptor: | Acriflavine resistance protein B, N-{[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide | Authors: | Hung, L.W, Kim, H.B, Murakami, S, Gupta, G, Kim, C.Y, Terwilliger, T.C. | Deposit date: | 2013-04-17 | Release date: | 2013-07-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Crystal structure of AcrB complexed with linezolid at 3.5 Angstrom resolution. J.Struct.Funct.Genom., 14, 2013
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4KLV
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![BU of 4klv by Molmil](/molmil-images/mine/4klv) | Crystal structure of a GNAT superfamily acetyltransferase PA4794 in complex with 4-methylumbelliferyl phosphate | Descriptor: | 1,2-ETHANEDIOL, 4-methylumbelliferyl phosphate, SULFATE ION, ... | Authors: | Majorek, K.A, Chruszcz, M, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2013-05-07 | Release date: | 2013-05-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structural, Functional, and Inhibition Studies of a Gcn5-related N-Acetyltransferase (GNAT) Superfamily Protein PA4794: A NEW C-TERMINAL LYSINE PROTEIN ACETYLTRANSFERASE FROM PSEUDOMONAS AERUGINOSA. J.Biol.Chem., 288, 2013
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4KJS
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![BU of 4kjs by Molmil](/molmil-images/mine/4kjs) | Structure of native YfkE | Descriptor: | cation exchanger YfkE | Authors: | Wu, M, Tong, S, Zheng, L. | Deposit date: | 2013-05-03 | Release date: | 2013-06-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Crystal structure of Ca2+/H+ antiporter protein YfkE reveals the mechanisms of Ca2+ efflux and its pH regulation. Proc.Natl.Acad.Sci.USA, 110, 2013
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5A47
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![BU of 5a47 by Molmil](/molmil-images/mine/5a47) | Structure of Thaumatin obtained by multi crystal data collection | Descriptor: | L(+)-TARTARIC ACID, THAUMATIN-1 | Authors: | Zander, U, Bourenkov, G, Popov, A.N, de Sanctis, D, McCarthy, A.A, Svensson, O, Round, E.S, Gordeliy, V.I, Mueller-Dieckmann, C, Leonard, G.A. | Deposit date: | 2015-06-05 | Release date: | 2015-11-11 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Meshandcollect: An Automated Multi-Crystal Data-Collection Workflow for Synchrotron Macromolecular Crystallography Beamlines. Acta Crystallogr.,Sect.D, 71, 2015
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4KLR
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![BU of 4klr by Molmil](/molmil-images/mine/4klr) | |
4ZSQ
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![BU of 4zsq by Molmil](/molmil-images/mine/4zsq) | BACE crystal structure with tricyclic aminothiazine inhibitor | Descriptor: | Beta-secretase 1, GLYCEROL, N-[(4S,4aS,6S,8aR)-10-aminohexahydro-3H-4,8a-(epithiomethenoazeno)isochromen-6(1H)-yl]-3-chlorobenzamide | Authors: | Timm, D.E. | Deposit date: | 2015-05-13 | Release date: | 2015-06-10 | Last modified: | 2015-06-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Preparation and biological evaluation of conformationally constrained BACE1 inhibitors. Bioorg.Med.Chem., 23, 2015
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4KOT
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![BU of 4kot by Molmil](/molmil-images/mine/4kot) | Crystal structure of a GNAT superfamily acetyltransferase PA4794 in complex with Cefotaxime | Descriptor: | (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicy clo[4.2.0]oct-2-ene-2-carboxylic acid, 1,2-ETHANEDIOL, SULFATE ION, ... | Authors: | Majorek, K.A, Chruszcz, M, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2013-05-12 | Release date: | 2013-06-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural, Functional, and Inhibition Studies of a Gcn5-related N-Acetyltransferase (GNAT) Superfamily Protein PA4794: A NEW C-TERMINAL LYSINE PROTEIN ACETYLTRANSFERASE FROM PSEUDOMONAS AERUGINOSA. J.Biol.Chem., 288, 2013
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4KOX
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![BU of 4kox by Molmil](/molmil-images/mine/4kox) | Crystal structure of a GNAT superfamily acetyltransferase PA4794 in complex with Cefalotin | Descriptor: | 1,2-ETHANEDIOL, CEPHALOTHIN, SULFATE ION, ... | Authors: | Majorek, K.A, Chruszcz, M, Zimmerman, M.D, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2013-05-12 | Release date: | 2013-06-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural, Functional, and Inhibition Studies of a Gcn5-related N-Acetyltransferase (GNAT) Superfamily Protein PA4794: A NEW C-TERMINAL LYSINE PROTEIN ACETYLTRANSFERASE FROM PSEUDOMONAS AERUGINOSA. J.Biol.Chem., 288, 2013
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5AFO
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4KQP
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![BU of 4kqp by Molmil](/molmil-images/mine/4kqp) | Crystal structure of Lactococcus lactis GlnP substrate binding domain 2 (SBD2) in complex with glutamine at 0.95 A resolution | Descriptor: | GLUTAMINE, Glutamine ABC transporter permease and substrate binding protein protein | Authors: | Vujicic Zagar, A, Guskov, A, Schuurman-Wolters, G.K, Slotboom, D.J, Poolman, B. | Deposit date: | 2013-05-15 | Release date: | 2013-09-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Functional Diversity of Tandem Substrate-Binding Domains in ABC Transporters from Pathogenic Bacteria. Structure, 21, 2013
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4KSB
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![BU of 4ksb by Molmil](/molmil-images/mine/4ksb) | Structures of P-glycoprotein reveal its conformational flexibility and an epitope on the nucleotide-binding domain | Descriptor: | Multidrug resistance protein 1A | Authors: | Ward, A, Szewczyk, P, Grimard, V, Lee, C.-W, Martinez, L, Doshi, R, Caya, A, Villaluz, M, Pardon, E, Cregger, C, Swartz, D.J, Falson, P, Urbatsch, I, Govaerts, C, Steyaert, J, Chang, G. | Deposit date: | 2013-05-17 | Release date: | 2013-07-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.8001 Å) | Cite: | Structures of P-glycoprotein reveal its conformational flexibility and an epitope on the nucleotide-binding domain. Proc.Natl.Acad.Sci.USA, 110, 2013
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4K2A
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![BU of 4k2a by Molmil](/molmil-images/mine/4k2a) | Crystal structure of haloalkane dehalogenase DbeA from Bradyrhizobium elkani USDA94 | Descriptor: | ACETATE ION, CHLORIDE ION, Haloalkane dehalogenase | Authors: | Prudnikova, T, Chaloupkova, R, Rezacova, P, Mozga, T, Koudelakova, T, Sato, Y, Kuty, M, Nagata, Y, Damborsky, J, Kuta Smatanova, I, Structure 2 Function Project (S2F) | Deposit date: | 2013-04-08 | Release date: | 2014-06-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and functional analysis of a novel haloalkane dehalogenase with two halide-binding sites. Acta Crystallogr.,Sect.D, 70, 2014
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5A14
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![BU of 5a14 by Molmil](/molmil-images/mine/5a14) | Human CDK2 with type II inhibitor | Descriptor: | 1-[4-(2-azanylpyrimidin-4-yl)oxyphenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea, CYCLIN-DEPENDENT KINASE 2 | Authors: | Alexander, L.T, Elkins, J.M, Kopec, J, Fedorov, O, Savitsky, P.A, Moebitz, H, Cowan-Jacob, S.W, Szklarz, M, Pike, A.C.W, Carpenter, E.P, Krojer, T, Bountra, C, Edwards, A.M, Knapp, S. | Deposit date: | 2015-04-27 | Release date: | 2015-07-22 | Last modified: | 2019-10-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Type II Inhibitors Targeting Cdk2. Acs Chem.Biol., 10, 2015
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4K48
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![BU of 4k48 by Molmil](/molmil-images/mine/4k48) | Structure of the Streptococcus pneumoniae leucyl-tRNA synthetase editing domain | Descriptor: | Leucine--tRNA ligase | Authors: | Hu, Q.H, Liu, R.J, Fang, Z.P, Zhang, J, Ding, Y.Y, Tan, M, Wang, M, Pan, W, Zhou, H.C, Wang, E.D. | Deposit date: | 2013-04-12 | Release date: | 2013-09-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Discovery of a potent benzoxaborole-based anti-pneumococcal agent targeting leucyl-tRNA synthetase Sci Rep, 3, 2013
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5A1Q
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4K73
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![BU of 4k73 by Molmil](/molmil-images/mine/4k73) | |
4K7H
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![BU of 4k7h by Molmil](/molmil-images/mine/4k7h) | Major capsid protein P1 of the Pseudomonas phage phi6 | Descriptor: | Major inner protein P1 | Authors: | Boura, E, Nemecek, D, Plevka, P, Steven, C.A, Hurley, J.H. | Deposit date: | 2013-04-17 | Release date: | 2013-08-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.5964 Å) | Cite: | Subunit Folds and Maturation Pathway of a dsRNA Virus Capsid. Structure, 21, 2013
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4K6A
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![BU of 4k6a by Molmil](/molmil-images/mine/4k6a) | Revised Crystal Structure of apo-form of Triosephosphate Isomerase (tpiA) from Escherichia coli at 1.8 Angstrom Resolution. | Descriptor: | SODIUM ION, Triosephosphate isomerase | Authors: | Minasov, G, Kuhn, M, Halavaty, A, Shuvalova, L, Dubrovska, I, Winsor, J, Grimshaw, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2013-04-15 | Release date: | 2013-05-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural, kinetic and proteomic characterization of acetyl phosphate-dependent bacterial protein acetylation. PLoS ONE, 9, 2014
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5ACN
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4ZU9
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![BU of 4zu9 by Molmil](/molmil-images/mine/4zu9) | Crystal structure of bacterial selenocysteine-specific elongation factor EF-Sec | Descriptor: | CYSTEINE, Elongation factor SelB, MAGNESIUM ION, ... | Authors: | Itoh, Y, Sekine, S, Yokoyama, S. | Deposit date: | 2015-05-15 | Release date: | 2015-09-23 | Last modified: | 2020-02-19 | Method: | X-RAY DIFFRACTION (3.191 Å) | Cite: | Crystal structure of the full-length bacterial selenocysteine-specific elongation factor SelB Nucleic Acids Res., 43, 2015
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5ADK
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![BU of 5adk by Molmil](/molmil-images/mine/5adk) | Structure of bovine endothelial nitric oxide synthase heme domain in complex with 7-((3-(Dimethylamino)methyl)phenoxy)methyl)quinolin-2- amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[3-[(dimethylamino)methyl]phenoxy]methyl]quinolin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2015-08-20 | Release date: | 2015-10-28 | Last modified: | 2015-11-25 | Method: | X-RAY DIFFRACTION (1.805 Å) | Cite: | Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
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4KAK
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![BU of 4kak by Molmil](/molmil-images/mine/4kak) | Crystal structure of human dihydrofolate reductase complexed with NADPH and 6-ethyl-5-[(3S)-3-[3-methoxy-5-(pyridine-4-yl)phenyl]but-1-yn-1-yl]pyrimidine-2,4-diamine (UCP1006) | Descriptor: | 6-ethyl-5-{(3R)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine, CALCIUM ION, Dihydrofolate reductase, ... | Authors: | Lamb, K.M, Anderson, A.C. | Deposit date: | 2013-04-22 | Release date: | 2013-10-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Elucidating features that drive the design of selective antifolates using crystal structures of human dihydrofolate reductase. Biochemistry, 52, 2013
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4KH3
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![BU of 4kh3 by Molmil](/molmil-images/mine/4kh3) | Structure of a bacterial self-associating protein | Descriptor: | Antigen 43, MALONATE ION | Authors: | Heras, B, Gee, C.L, Schembri, M.A, Totsika, M. | Deposit date: | 2013-04-30 | Release date: | 2014-01-15 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The antigen 43 structure reveals a molecular Velcro-like mechanism of autotransporter-mediated bacterial clumping. Proc.Natl.Acad.Sci.USA, 111, 2014
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4KC8
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![BU of 4kc8 by Molmil](/molmil-images/mine/4kc8) | Crystal Structure of Endo-1,5-alpha-L-arabinanase from Thermotoga petrophila RKU-1 in complex with TRIS | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Glycoside hydrolase, ... | Authors: | Nascimento, A.F.Z, Polo, C.C, Santos, C.R, Costa, M.C.M.F, Mesa, A.N, Prade, R.A, Ruller, R, Squina, F.M, Murakami, M.T. | Deposit date: | 2013-04-24 | Release date: | 2014-02-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Mechanistic strategies for catalysis adopted by evolutionary distinct family 43 arabinanases. J.Biol.Chem., 289, 2014
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4KIB
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![BU of 4kib by Molmil](/molmil-images/mine/4kib) | Crystal structure of methyltransferase from Streptomyces hygroscopicus complexed with S-adenosyl-L-homocysteine and methylphenylpyruvic acid | Descriptor: | (2R)-2-hydroxy-3-phenylpropanoic acid, (3R)-2-oxo-3-phenylbutanoic acid, CALCIUM ION, ... | Authors: | Liu, Y.C, Zou, X.W, Chan, H.C, Huang, C.J, Li, T.L. | Deposit date: | 2013-05-02 | Release date: | 2014-05-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure and mechanism of a nonhaem-iron SAM-dependent C-methyltransferase and its engineering to a hydratase and an O-methyltransferase Acta Crystallogr.,Sect.D, 70, 2014
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