4CYP
 
 | | Leishmania major N-myristoyltransferase in complex with a pyrrolidine inhibitor. | | Descriptor: | (3R)-4-(4-chlorophenyl)-1-[(3S,4R)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]-3-hydroxybutan-1-one, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, ... | | Authors: | Hutton, J.A, Goncalves, V, Brannigan, J.A, Paape, D, Waugh, T, Roberts, S.M, Bell, A.S, Wilkinson, A.J, Smith, D.F, Leatherbarrow, R.J, Tate, E.W. | | Deposit date: | 2014-04-14 | | Release date: | 2014-10-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structure-Based Design of Potent and Selective Leishmania N- Myristoyltransferase Inhibitors.
J.Med.Chem., 57, 2014
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4D5O
 | | Hypocrea jecorina cellobiohydrolase Cel7A E212Q soaked with xylopentaose. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLULOSE 1,4-BETA-CELLOBIOSIDASE, COBALT (II) ION, ... | | Authors: | Momeni, M.H, Ubhayasekera, W, Stahlberg, J, Hansson, H. | | Deposit date: | 2014-11-07 | | Release date: | 2015-03-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Structural Insights Into the Inhibition of Cellobiohydrolase Cel7A by Xylooligosaccharides.
FEBS J., 282, 2015
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4B7X
 | | Crystal structure of hypothetical protein PA1648 from Pseudomonas aeruginosa. | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROBABLE OXIDOREDUCTASE | | Authors: | Alphey, M.S, McMahon, S.A, Duthie, F, Naismith, J.H. | | Deposit date: | 2012-08-24 | | Release date: | 2013-01-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The Aeropath Project Targeting Pseudomonas Aeruginosa: Crystallographic Studies for Assessment of Potential Targets in Early-Stage Drug Discovery
Acta Crystallogr.,Sect.F, 69, 2013
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2IXB
 | | Crystal structure of N-ACETYLGALACTOSAMINIDASE in complex with GalNAC | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, ... | | Authors: | Sulzenbacher, G, Liu, Q.P, Bourne, Y, Henrissat, B, Clausen, H. | | Deposit date: | 2006-07-07 | | Release date: | 2007-04-10 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Bacterial Glycosidases for the Production of Universal Red Blood Cells.
Nat.Biotechnol., 25, 2007
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4B5R
 | | SAM-I riboswitch bearing the H. marismortui K-t-7 | | Descriptor: | BARIUM ION, POTASSIUM ION, S-ADENOSYLMETHIONINE, ... | | Authors: | Daldrop, P, Lilley, D.M.J. | | Deposit date: | 2012-08-07 | | Release date: | 2013-01-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | The Plasticity of a Structural Motif in RNA: Structural Polymorphism of a Kink Turn as a Function of its Environment.
RNA, 19, 2013
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2M5Z
 | | Enterocin 7A | | Descriptor: | Enterocin JSA | | Authors: | Lohans, C.T, Towle, K.M, Miskolzie, M, McKay, R.T, van Belkum, M.J, McMullen, L.M, Vederas, J.C. | | Deposit date: | 2013-03-16 | | Release date: | 2013-06-12 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Solution Structures of the Linear Leaderless Bacteriocins Enterocin 7A and 7B Resemble Carnocyclin A, a Circular Antimicrobial Peptide
Biochemistry, 52, 2013
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2MJJ
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4B41
 | | Crystal structure of an amyloid-beta binding single chain antibody G7 | | Descriptor: | ANTIBODY G7, CHLORIDE ION, GLYCEROL | | Authors: | Beringer, D.X, Dorresteijn, B, Rutten, L, Wienk, H, el Khattabi, M, Kroon-Batenburg, L.M.J, Verrips, C.T. | | Deposit date: | 2012-07-27 | | Release date: | 2013-08-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.191 Å) | | Cite: | Crystal Structure of an Amyloid-Beta Binding Single Chain Antibody G7
To be Published
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4BBO
 | | Crystal structure of core-bradavidin | | Descriptor: | ACETATE ION, BIOTIN, BLR5658 PROTEIN, ... | | Authors: | Airenne, T.T, Johnson, M.S, Maatta, J.A.E, Hytonen, V.H, Kulomaa, M.S. | | Deposit date: | 2012-09-27 | | Release date: | 2013-10-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structure of Core-Bradavidin
To be Published
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4B0H
 | | B. subtilis dUTPase YncF in complex with dU, PPi and Mg b (P212121) | | Descriptor: | 2'-DEOXYURIDINE, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Timm, J, Garcia-Nafria, J, Harrison, C, Turkenburg, J.P, Wilson, K.S. | | Deposit date: | 2012-07-02 | | Release date: | 2013-05-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | Tying Down the Arm in Bacillus Dutpase: Structure and Mechanism
Acta Crystallogr.,Sect.D, 69, 2013
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4BCA
 | | MAMMALIAN ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE: Tyr578Phe mutant | | Descriptor: | ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE, PEROXISOMAL, CHLORIDE ION, ... | | Authors: | Nenci, S, Piano, V, Rosati, S, Aliverti, A, Pandini, V, Fraaije, M.W, Heck, A.J.R, Edmondson, D.E, Mattevi, A. | | Deposit date: | 2012-10-01 | | Release date: | 2012-11-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Precursor of Ether Phospholipids is Synthesized by a Flavoenzyme Through Covalent Catalysis.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4BF2
 | | Crystal Structures of Ask1-inhibitor Complexes | | Descriptor: | ACETATE ION, GLYCEROL, MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 5, ... | | Authors: | Singh, O, Shillings, A, Craggs, P, Wall, I, Rowland, P, Skarzynski, T, Hobbs, C.I, Hardwick, P, Tanner, R, Blunt, M, Witty, D.R, Smith, K.J. | | Deposit date: | 2013-03-13 | | Release date: | 2013-07-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Crystal Structures of Ask1-Inhibtor Complexes Provide a Platform for Structure Based Drug Design.
Protein Sci., 22, 2013
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4BID
 | | Crystal Structures of Ask1-inhibitor Complexes | | Descriptor: | 5-[(1R)-2-amino-1-phenylethoxy]-2-(furan-3-yl)-3-{1H-pyrrolo[2,3-b]pyridin-3-yl}pyridine, ACETATE ION, MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 5 | | Authors: | Singh, O, Shillings, A, Craggs, P, Wall, I, Rowland, P, Skarzynski, T, Hobbs, C.I, Hardwick, P, Tanner, R, Blunt, M, Witty, D.R, Smith, K.J. | | Deposit date: | 2013-04-10 | | Release date: | 2013-07-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structures of Ask1-Inhibtor Complexes Provide a Platform for Structure Based Drug Design.
Protein Sci., 22, 2013
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2MC3
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2IZQ
 | | Gramicidin D complex with KI | | Descriptor: | GRAMICIDIN D, IODIDE ION, METHANOL, ... | | Authors: | Olczak, A, Glowka, M.L, Szczesio, M, Bojarska, J, Duax, W.L, Burkhart, B.M, Wawrzak, Z. | | Deposit date: | 2006-07-26 | | Release date: | 2007-01-23 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (0.8 Å) | | Cite: | Nonstoichiometric Complex of Gramicidin D with Ki at 0.80 A Resolution.
Acta Crystallogr.,Sect.D, 63, 2007
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4BNM
 | | Crystal structure of S. aureus FabI in complex with NADP and 5-hexyl- 2-(2-methylphenoxy)phenol | | Descriptor: | 5-HEXYL-2-(2-METHYLPHENOXY)PHENOL, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], GLUTAMIC ACID, ... | | Authors: | Schiebel, J, Chang, A, Bommineni, G.R, Tonge, P.J, Kisker, C. | | Deposit date: | 2013-05-15 | | Release date: | 2013-06-05 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Rational Optimization of Drug-Target Residence Time: Insights from Inhibitor Binding to the S. Aureus Fabi Enzyme-Product Complex.
Biochemistry, 52, 2013
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2IYU
 | | Shikimate kinase from Mycobacterium tuberculosis in complex with ADP, open LID (conf. A) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, SHIKIMATE KINASE | | Authors: | Hartmann, M.D, Bourenkov, G.P, Oberschall, A, Strizhov, N, Bartunik, H.D. | | Deposit date: | 2006-07-22 | | Release date: | 2006-10-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Mechanism of Phosphoryl Transfer Catalyzed by Shikimate Kinase from Mycobacterium Tuberculosis.
J.Mol.Biol., 364, 2006
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2J6R
 | | FaeG from F4ac ETEC strain GIS26, produced in tobacco plant chloroplast | | Descriptor: | K88 FIMBRIAL PROTEIN, PHOSPHATE ION | | Authors: | Van Molle, I, Joensuu, J.J, Buts, L, Panjikar, S, Kotiaho, M, Bouckaert, J, Wyns, L, Niklander-Teeri, V, De Greve, H. | | Deposit date: | 2006-10-03 | | Release date: | 2007-04-10 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Chloroplasts Assemble the Major Subunit Faeg of Escherichia Coli F4 (K88) Fimbriae Into Strand-Swapped Dimers
J.Mol.Biol., 368, 2007
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4BNK
 | | Crystal structure of S. aureus FabI in complex with NADP and 5-fluoro- 2-phenoxyphenol | | Descriptor: | 5-fluoro-2-phenoxyphenol, CHLORIDE ION, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], ... | | Authors: | Schiebel, J, Chang, A, Bommineni, G.R, Tonge, P.J, Kisker, C. | | Deposit date: | 2013-05-15 | | Release date: | 2013-06-05 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Rational Optimization of Drug-Target Residence Time: Insights from Inhibitor Binding to the S. Aureus Fabi Enzyme-Product Complex.
Biochemistry, 52, 2013
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2IYR
 | | Shikimate kinase from Mycobacterium tuberculosis in complex with shikimate | | Descriptor: | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, SHIKIMATE KINASE | | Authors: | Hartmann, M.D, Bourenkov, G.P, Oberschall, A, Strizhov, N, Bartunik, H.D. | | Deposit date: | 2006-07-21 | | Release date: | 2006-10-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Mechanism of Phosphoryl Transfer Catalyzed by Shikimate Kinase from Mycobacterium Tuberculosis.
J.Mol.Biol., 364, 2006
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2HA6
 | | Crystal structure of mutant S203A of mouse acetylcholinesterase complexed with succinylcholine | | Descriptor: | 2,2'-[(1,4-DIOXOBUTANE-1,4-DIYL)BIS(OXY)]BIS(N,N,N-TRIMETHYLETHANAMINIUM), ACETIC ACID, Acetylcholinesterase, ... | | Authors: | Bourne, Y, Radic, Z, Sulzenbacher, G, Kim, E, Taylor, P, Marchot, P. | | Deposit date: | 2006-06-12 | | Release date: | 2006-07-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Substrate and product trafficking through the active center gorge of acetylcholinesterase analyzed by crystallography and equilibrium binding
J.Biol.Chem., 281, 2006
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2HF7
 | | Transition State Analogue of AphA class B Acid Phosphatase/Phosphotransferase (Aluminium Fluoride Complex) | | Descriptor: | ALUMINUM FLUORIDE, Class B acid phosphatase, MAGNESIUM ION | | Authors: | Leone, R, Calderone, V, Cappelletti, E, Benvenuti, M, Mangani, S. | | Deposit date: | 2006-06-23 | | Release date: | 2008-03-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: |
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2H9Z
 | | Solution structure of hypothetical protein, HP0495 from Helicobacter pylori | | Descriptor: | Hypothetical protein HP0495 | | Authors: | Seo, M.D, Park, S.J, Kim, H.J, Lee, B.J. | | Deposit date: | 2006-06-12 | | Release date: | 2007-05-01 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of hypothetical protein, HP0495 (Y495_HELPY) from Helicobacter pylori.
Proteins, 67, 2007
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2HD1
 | | Crystal structure of PDE9 in complex with IBMX | | Descriptor: | 3-ISOBUTYL-1-METHYLXANTHINE, MAGNESIUM ION, Phosphodiesterase 9A, ... | | Authors: | Huai, Q, Wang, H, Zhang, W, Colman, R.W, Robinson, H, Ke, H. | | Deposit date: | 2006-06-19 | | Release date: | 2006-06-27 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Crystal structure of phosphodiesterase 9 shows orientation variation of inhibitor IBMX binding
Proc.Natl.Acad.Sci.USA, 101, 2004
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2HCB
 | | Structure of AMPPCP-bound DnaA from Aquifex aeolicus | | Descriptor: | Chromosomal replication initiator protein dnaA, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | | Authors: | Erzberger, J.P, Mott, M.L, Berger, J.M. | | Deposit date: | 2006-06-15 | | Release date: | 2006-07-25 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.51 Å) | | Cite: | Structural basis for ATP-dependent DnaA assembly and replication-origin remodeling.
Nat.Struct.Mol.Biol., 13, 2006
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