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4CYP
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Leishmania major N-myristoyltransferase in complex with a pyrrolidine inhibitor.
分子名称: (3R)-4-(4-chlorophenyl)-1-[(3S,4R)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]-3-hydroxybutan-1-one, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, ...
著者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.
登録日2014-04-14
公開日2014-10-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure-Based Design of Potent and Selective Leishmania N- Myristoyltransferase Inhibitors.
J.Med.Chem., 57, 2014
4D5O
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BU of 4d5o by Molmil
Hypocrea jecorina cellobiohydrolase Cel7A E212Q soaked with xylopentaose.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLULOSE 1,4-BETA-CELLOBIOSIDASE, COBALT (II) ION, ...
著者Momeni, M.H, Ubhayasekera, W, Stahlberg, J, Hansson, H.
登録日2014-11-07
公開日2015-03-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Structural Insights Into the Inhibition of Cellobiohydrolase Cel7A by Xylooligosaccharides.
FEBS J., 282, 2015
4B7X
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BU of 4b7x by Molmil
Crystal structure of hypothetical protein PA1648 from Pseudomonas aeruginosa.
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROBABLE OXIDOREDUCTASE
著者Alphey, M.S, McMahon, S.A, Duthie, F, Naismith, J.H.
登録日2012-08-24
公開日2013-01-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Aeropath Project Targeting Pseudomonas Aeruginosa: Crystallographic Studies for Assessment of Potential Targets in Early-Stage Drug Discovery
Acta Crystallogr.,Sect.F, 69, 2013
2IXB
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BU of 2ixb by Molmil
Crystal structure of N-ACETYLGALACTOSAMINIDASE in complex with GalNAC
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, ...
著者Sulzenbacher, G, Liu, Q.P, Bourne, Y, Henrissat, B, Clausen, H.
登録日2006-07-07
公開日2007-04-10
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Bacterial Glycosidases for the Production of Universal Red Blood Cells.
Nat.Biotechnol., 25, 2007
4B5R
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SAM-I riboswitch bearing the H. marismortui K-t-7
分子名称: BARIUM ION, POTASSIUM ION, S-ADENOSYLMETHIONINE, ...
著者Daldrop, P, Lilley, D.M.J.
登録日2012-08-07
公開日2013-01-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献The Plasticity of a Structural Motif in RNA: Structural Polymorphism of a Kink Turn as a Function of its Environment.
RNA, 19, 2013
2M5Z
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BU of 2m5z by Molmil
Enterocin 7A
分子名称: Enterocin JSA
著者Lohans, C.T, Towle, K.M, Miskolzie, M, McKay, R.T, van Belkum, M.J, McMullen, L.M, Vederas, J.C.
登録日2013-03-16
公開日2013-06-12
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Solution Structures of the Linear Leaderless Bacteriocins Enterocin 7A and 7B Resemble Carnocyclin A, a Circular Antimicrobial Peptide
Biochemistry, 52, 2013
2MJJ
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BU of 2mjj by Molmil
A tetrahelical DNA fold adopted by alternating GGG and GCG tracts
分子名称: 5'-D(*GP*GP*GP*AP*GP*CP*GP*AP*GP*GP*GP*AP*GP*CP*G)-3'
著者Kocman, V, Plavec, J.
登録日2014-01-10
公開日2014-12-24
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献A tetrahelical DNA fold adopted by tandem repeats of alternating GGG and GCG tracts.
Nat Commun, 5, 2014
4B41
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BU of 4b41 by Molmil
Crystal structure of an amyloid-beta binding single chain antibody G7
分子名称: ANTIBODY G7, CHLORIDE ION, GLYCEROL
著者Beringer, D.X, Dorresteijn, B, Rutten, L, Wienk, H, el Khattabi, M, Kroon-Batenburg, L.M.J, Verrips, C.T.
登録日2012-07-27
公開日2013-08-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.191 Å)
主引用文献Crystal Structure of an Amyloid-Beta Binding Single Chain Antibody G7
To be Published
4BBO
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BU of 4bbo by Molmil
Crystal structure of core-bradavidin
分子名称: ACETATE ION, BIOTIN, BLR5658 PROTEIN, ...
著者Airenne, T.T, Johnson, M.S, Maatta, J.A.E, Hytonen, V.H, Kulomaa, M.S.
登録日2012-09-27
公開日2013-10-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure of Core-Bradavidin
To be Published
4B0H
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BU of 4b0h by Molmil
B. subtilis dUTPase YncF in complex with dU, PPi and Mg b (P212121)
分子名称: 2'-DEOXYURIDINE, CHLORIDE ION, MAGNESIUM ION, ...
著者Timm, J, Garcia-Nafria, J, Harrison, C, Turkenburg, J.P, Wilson, K.S.
登録日2012-07-02
公開日2013-05-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Tying Down the Arm in Bacillus Dutpase: Structure and Mechanism
Acta Crystallogr.,Sect.D, 69, 2013
4BCA
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BU of 4bca by Molmil
MAMMALIAN ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE: Tyr578Phe mutant
分子名称: ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE, PEROXISOMAL, CHLORIDE ION, ...
著者Nenci, S, Piano, V, Rosati, S, Aliverti, A, Pandini, V, Fraaije, M.W, Heck, A.J.R, Edmondson, D.E, Mattevi, A.
登録日2012-10-01
公開日2012-11-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Precursor of Ether Phospholipids is Synthesized by a Flavoenzyme Through Covalent Catalysis.
Proc.Natl.Acad.Sci.USA, 109, 2012
4BF2
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BU of 4bf2 by Molmil
Crystal Structures of Ask1-inhibitor Complexes
分子名称: ACETATE ION, GLYCEROL, MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 5, ...
著者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.
登録日2013-03-13
公開日2013-07-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Crystal Structures of Ask1-Inhibtor Complexes Provide a Platform for Structure Based Drug Design.
Protein Sci., 22, 2013
4BID
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BU of 4bid by Molmil
Crystal Structures of Ask1-inhibitor Complexes
分子名称: 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
著者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.
登録日2013-04-10
公開日2013-07-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal Structures of Ask1-Inhibtor Complexes Provide a Platform for Structure Based Drug Design.
Protein Sci., 22, 2013
2MC3
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BU of 2mc3 by Molmil
NMR solution structure of the winged-helix domain from MUS81 structure-specific endonuclease
分子名称: MUS81 endonuclease homolog (Yeast), isoform CRA_b
著者Harris, R, Fadden, A, Mcdonald, N.Q.
登録日2013-08-14
公開日2013-09-18
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献A winged helix domain in human MUS81 binds DNA and modulates the endonuclease activity of MUS81 complexes.
Nucleic Acids Res., 41, 2013
2IZQ
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BU of 2izq by Molmil
Gramicidin D complex with KI
分子名称: GRAMICIDIN D, IODIDE ION, METHANOL, ...
著者Olczak, A, Glowka, M.L, Szczesio, M, Bojarska, J, Duax, W.L, Burkhart, B.M, Wawrzak, Z.
登録日2006-07-26
公開日2007-01-23
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (0.8 Å)
主引用文献Nonstoichiometric Complex of Gramicidin D with Ki at 0.80 A Resolution.
Acta Crystallogr.,Sect.D, 63, 2007
4BNM
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BU of 4bnm by Molmil
Crystal structure of S. aureus FabI in complex with NADP and 5-hexyl- 2-(2-methylphenoxy)phenol
分子名称: 5-HEXYL-2-(2-METHYLPHENOXY)PHENOL, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], GLUTAMIC ACID, ...
著者Schiebel, J, Chang, A, Bommineni, G.R, Tonge, P.J, Kisker, C.
登録日2013-05-15
公開日2013-06-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Rational Optimization of Drug-Target Residence Time: Insights from Inhibitor Binding to the S. Aureus Fabi Enzyme-Product Complex.
Biochemistry, 52, 2013
2IYU
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BU of 2iyu by Molmil
Shikimate kinase from Mycobacterium tuberculosis in complex with ADP, open LID (conf. A)
分子名称: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, SHIKIMATE KINASE
著者Hartmann, M.D, Bourenkov, G.P, Oberschall, A, Strizhov, N, Bartunik, H.D.
登録日2006-07-22
公開日2006-10-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Mechanism of Phosphoryl Transfer Catalyzed by Shikimate Kinase from Mycobacterium Tuberculosis.
J.Mol.Biol., 364, 2006
2J6R
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BU of 2j6r by Molmil
FaeG from F4ac ETEC strain GIS26, produced in tobacco plant chloroplast
分子名称: K88 FIMBRIAL PROTEIN, PHOSPHATE ION
著者Van Molle, I, Joensuu, J.J, Buts, L, Panjikar, S, Kotiaho, M, Bouckaert, J, Wyns, L, Niklander-Teeri, V, De Greve, H.
登録日2006-10-03
公開日2007-04-10
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Chloroplasts Assemble the Major Subunit Faeg of Escherichia Coli F4 (K88) Fimbriae Into Strand-Swapped Dimers
J.Mol.Biol., 368, 2007
4BNK
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BU of 4bnk by Molmil
Crystal structure of S. aureus FabI in complex with NADP and 5-fluoro- 2-phenoxyphenol
分子名称: 5-fluoro-2-phenoxyphenol, CHLORIDE ION, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], ...
著者Schiebel, J, Chang, A, Bommineni, G.R, Tonge, P.J, Kisker, C.
登録日2013-05-15
公開日2013-06-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Rational Optimization of Drug-Target Residence Time: Insights from Inhibitor Binding to the S. Aureus Fabi Enzyme-Product Complex.
Biochemistry, 52, 2013
2IYR
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BU of 2iyr by Molmil
Shikimate kinase from Mycobacterium tuberculosis in complex with shikimate
分子名称: (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, SHIKIMATE KINASE
著者Hartmann, M.D, Bourenkov, G.P, Oberschall, A, Strizhov, N, Bartunik, H.D.
登録日2006-07-21
公開日2006-10-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Mechanism of Phosphoryl Transfer Catalyzed by Shikimate Kinase from Mycobacterium Tuberculosis.
J.Mol.Biol., 364, 2006
2HA6
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BU of 2ha6 by Molmil
Crystal structure of mutant S203A of mouse acetylcholinesterase complexed with succinylcholine
分子名称: 2,2'-[(1,4-DIOXOBUTANE-1,4-DIYL)BIS(OXY)]BIS(N,N,N-TRIMETHYLETHANAMINIUM), ACETIC ACID, Acetylcholinesterase, ...
著者Bourne, Y, Radic, Z, Sulzenbacher, G, Kim, E, Taylor, P, Marchot, P.
登録日2006-06-12
公開日2006-07-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Substrate and product trafficking through the active center gorge of acetylcholinesterase analyzed by crystallography and equilibrium binding
J.Biol.Chem., 281, 2006
2HF7
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Transition State Analogue of AphA class B Acid Phosphatase/Phosphotransferase (Aluminium Fluoride Complex)
分子名称: ALUMINUM FLUORIDE, Class B acid phosphatase, MAGNESIUM ION
著者Leone, R, Calderone, V, Cappelletti, E, Benvenuti, M, Mangani, S.
登録日2006-06-23
公開日2008-03-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献

2H9Z
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Solution structure of hypothetical protein, HP0495 from Helicobacter pylori
分子名称: Hypothetical protein HP0495
著者Seo, M.D, Park, S.J, Kim, H.J, Lee, B.J.
登録日2006-06-12
公開日2007-05-01
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of hypothetical protein, HP0495 (Y495_HELPY) from Helicobacter pylori.
Proteins, 67, 2007
2HD1
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Crystal structure of PDE9 in complex with IBMX
分子名称: 3-ISOBUTYL-1-METHYLXANTHINE, MAGNESIUM ION, Phosphodiesterase 9A, ...
著者Huai, Q, Wang, H, Zhang, W, Colman, R.W, Robinson, H, Ke, H.
登録日2006-06-19
公開日2006-06-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Crystal structure of phosphodiesterase 9 shows orientation variation of inhibitor IBMX binding
Proc.Natl.Acad.Sci.USA, 101, 2004
2HCB
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BU of 2hcb by Molmil
Structure of AMPPCP-bound DnaA from Aquifex aeolicus
分子名称: Chromosomal replication initiator protein dnaA, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
著者Erzberger, J.P, Mott, M.L, Berger, J.M.
登録日2006-06-15
公開日2006-07-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.51 Å)
主引用文献Structural basis for ATP-dependent DnaA assembly and replication-origin remodeling.
Nat.Struct.Mol.Biol., 13, 2006

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