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3G4S
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BU of 3g4s by Molmil
Co-crystal structure of Tiamulin bound to the large ribosomal subunit
分子名称: 23S ribosomal RNA, 50S ribosomal protein L10, 50S ribosomal protein L10e, ...
著者Gurel, G, Blaha, G, Moore, P.B, Steitz, T.A.
登録日2009-02-04
公開日2009-04-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献U2504 determines the species specificity of the A-site cleft antibiotics: the structures of tiamulin, homoharringtonine, and bruceantin bound to the ribosome.
J.Mol.Biol., 389, 2009
2OC9
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BU of 2oc9 by Molmil
Crystal structure of human purine nucleoside phosphorylase mutant H257G with Imm-H
分子名称: 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL, PHOSPHATE ION, Purine nucleoside phosphorylase
著者Rinaldo-Matthis, A, Almo, S.C, Schramm, V.L.
登録日2006-12-20
公開日2007-05-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Neighboring Group Participation in the Transition State of Human Purine Nucleoside Phosphorylase
Biochemistry, 46, 2007
4ODD
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BU of 4odd by Molmil
Crystal structure of a dog lipocalin allergen
分子名称: LIPOCALIN ALLERGEN
著者Niemi, M.H, Rouvinen, J.
登録日2014-01-10
公開日2014-06-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural aspects of dog allergies: The crystal structure of a dog dander allergen Can f 4.
Mol.Immunol., 61, 2014
3G30
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BU of 3g30 by Molmil
CTX-M-9 class A beta-lactamase complexed with compound 3 (G30)
分子名称: (1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropanecarboxylic acid, Beta-lactamase CTX-M-9a
著者Chen, Y, Shoichet, B.K.
登録日2009-02-01
公開日2009-03-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular docking and ligand specificity in fragment-based inhibitor discovery
Nat.Chem.Biol., 5, 2009
2OD9
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BU of 2od9 by Molmil
Structural Basis for Nicotinamide Inhibition and Base Exchange in Sir2 Enzymes
分子名称: 5'-O-[(S)-{[(S)-{[(2R,3R,4S)-3,4-DIHYDROXYPYRROLIDIN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]ADENOSINE, H4 peptide, NAD-dependent deacetylase HST2, ...
著者Marmorstein, R, Sanders, B.D.
登録日2006-12-21
公開日2007-02-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural basis for nicotinamide inhibition and base exchange in sir2 enzymes.
Mol.Cell, 25, 2007
2ITC
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BU of 2itc by Molmil
Potassium Channel KcsA-Fab complex in Sodium Chloride
分子名称: Antibody Fab fragment heavy chain, Antibody Fab fragment light chain, SODIUM ION, ...
著者Lockless, S.W, Zhou, M, MacKinnon, R.
登録日2006-10-19
公開日2007-05-15
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural and Thermodynamic Properties of Selective Ion Binding in a K(+) Channel.
Plos Biol., 5, 2007
3PCO
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BU of 3pco by Molmil
crystal structure of E. coli phenylalanine-tRNA synthetase complexed with phenylalanine and AMP
分子名称: ADENOSINE MONOPHOSPHATE, PHENYLALANINE, Phenylalanyl-tRNA synthetase, ...
著者Mermershtain, I, Finarov, I, Klipcan, L, Kessler, N, Rozenberg, H, Safro, M.G.
登録日2010-10-21
公開日2011-03-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.02 Å)
主引用文献Idiosyncrasy and identity in the prokaryotic phe-system: crystal structure of E. coli phenylalanyl-tRNA synthetase complexed with phenylalanine and AMP.
Protein Sci., 20, 2011
3PC7
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BU of 3pc7 by Molmil
X-ray crystal structure of the DNA ligase III-alpha BRCT domain.
分子名称: DNA ligase 3
著者Cuneo, M.J, Krahn, J.M, London, R.E.
登録日2010-10-21
公開日2011-06-15
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献The structural basis for partitioning of the XRCC1/DNA ligase III-{alpha} BRCT-mediated dimer complexes.
Nucleic Acids Res., 39, 2011
3G80
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BU of 3g80 by Molmil
Nodamura virus protein b2, RNA-binding domain
分子名称: Protein B2
著者Korber, S, Shaik Syed Ali, P, Chen, J.C.
登録日2009-02-11
公開日2010-01-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of the RNA-Binding Domain of Nodamura Virus Protein B2, a Suppressor of RNA Interference.
Biochemistry, 48, 2009
3PC6
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BU of 3pc6 by Molmil
X-ray crystal structure of the second XRCC1 BRCT domain.
分子名称: DNA repair protein XRCC1
著者Cuneo, M.J, Krahn, J.M, London, R.E.
登録日2010-10-21
公開日2011-06-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The structural basis for partitioning of the XRCC1/DNA ligase III-{alpha} BRCT-mediated dimer complexes.
Nucleic Acids Res., 39, 2011
4H2X
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BU of 4h2x by Molmil
Crystal structure of engineered Bradyrhizobium japonicum glycine:[carrier protein] ligase complexed with carrier protein from Agrobacterium tumefaciens and an analogue of glycyl adenylate
分子名称: 4'-PHOSPHOPANTETHEINE, 5'-O-(glycylsulfamoyl)adenosine, Amino acid--[acyl-carrier-protein] ligase 1, ...
著者Luic, M, Weygand-Durasevic, I, Ivic, N, Mocibob, M.
登録日2012-09-13
公開日2013-03-06
最終更新日2017-08-23
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Adaptation of aminoacyl-tRNA synthetase catalytic core to carrier protein aminoacylation.
Structure, 21, 2013
2O8V
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BU of 2o8v by Molmil
PAPS reductase in a covalent complex with thioredoxin C35A
分子名称: Phosphoadenosine phosphosulfate reductase, Thioredoxin 1
著者Chartron, J, Shiau, C, Stout, C.D, Carroll, K.S.
登録日2006-12-12
公開日2007-03-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献3'-Phosphoadenosine-5'-phosphosulfate Reductase in Complex with Thioredoxin: A Structural Snapshot in the Catalytic Cycle.
Biochemistry, 46, 2007
4ONA
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BU of 4ona by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1517
分子名称: 5-amino-1-tert-butyl-3-(7-ethoxyquinolin-3-yl)-1H-pyrazole-4-carboxamide, Calmodulin-domain protein kinase 1
著者Merritt, E.A.
登録日2014-01-28
公開日2014-03-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Potent and selective inhibitors of CDPK1 from T. gondii and C. parvum based on a 5-aminopyrazole-4-carboxamide scaffold.
ACS Med Chem Lett, 5, 2014
3PC4
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BU of 3pc4 by Molmil
Full length structure of cystathionine beta-synthase from Drosophila in complex with serine
分子名称: (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine, CG1753, isoform A, ...
著者Koutmos, M, Smith, J.L.
登録日2010-10-21
公開日2010-12-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis for substrate activation and regulation by cystathionine beta-synthase (CBS) domains in cystathionine {beta}-synthase.
Proc.Natl.Acad.Sci.USA, 107, 2010
2O95
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BU of 2o95 by Molmil
Crystal Structure of the Metal-Free Dimeric Human Mov34 MPN domain (residues 1-186)
分子名称: 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 26S proteasome non-ATPase regulatory subunit 7, DODECAETHYLENE GLYCOL, ...
著者Sanches, M, Alves, B.S.C, Zanchin, N.I.T, Guimaraes, B.G.
登録日2006-12-13
公開日2007-07-17
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The Crystal Structure of the Human Mov34 MPN Domain Reveals a Metal-free Dimer
J.Mol.Biol., 370, 2007
4ONR
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BU of 4onr by Molmil
Crystal structure of Borrelia burgdorferi decorin-binding protein DbpA
分子名称: DECORIN-BINDING PROTEIN DbpA, NICKEL (II) ION
著者Tomchick, D.R, Deka, R.K, Blevins, J.S.
登録日2014-01-28
公開日2014-07-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Identification of Lysine Residues in the Borrelia burgdorferi DbpA Adhesin Required for Murine Infection.
Infect.Immun., 82, 2014
3PDJ
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BU of 3pdj by Molmil
Crystal Structure of Human 11-beta-Hydroxysteroid Dehydrogenase 1 (11b-HSD1) in Complex with 4,4-Disubstituted Cyclohexylbenzamide Inhibitor
分子名称: Corticosteroid 11-beta-dehydrogenase isozyme 1, N-[trans-4-(3-amino-3-oxopropyl)-4-phenylcyclohexyl]-N-cyclopropyl-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Wang, Z, Sudom, A, Walker, N.P.
登録日2010-10-22
公開日2011-10-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Synthesis and Optimization of Novel 4,4-Disubstituted Cyclohexylbenzamide Derivatives as Potent 11beta-HSD1 Inhibitors
Bioorg.Med.Chem.Lett., 21, 2011
3GAI
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BU of 3gai by Molmil
Structure of a F112A variant PduO-type ATP:corrinoid adenosyltransferase from Lactobacillus reuteri complexed with cobalamin and ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, COBALAMIN, ...
著者St Maurice, M, Mera, P.E, Escalante-Semerena, J.C, Rayment, I.
登録日2009-02-17
公開日2009-07-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Residue Phe112 of the human-type corrinoid adenosyltransferase (PduO) enzyme of Lactobacillus reuteri is critical to the formation of the four-coordinate Co(II) corrinoid substrate and to the activity of the enzyme.
Biochemistry, 48, 2009
2OKA
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BU of 2oka by Molmil
Crystal structure of Q9HYQ7_PSEAE from Pseudomonas aeruginosa. Northeast Structural Genomics Consortium target PaR82
分子名称: Hypothetical protein
著者Benach, J, Neely, H, Seetharaman, J, Chen, X.C, Fang, Y, Cunningham, K, Owens, L, Ma, L.C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2007-01-16
公開日2007-01-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of Q9HYQ7_PSEAE from Pseudomonas aeruginosa
To be Published
4WM9
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BU of 4wm9 by Molmil
Acinetobacter baumanii OXA-24 complex with Avibactam
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, Beta-lactamase, ...
著者Mangani, S, Benvenuti, M, Docquier, J.-D.
登録日2014-10-08
公開日2014-12-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular Basis of Selective Inhibition and Slow Reversibility of Avibactam against Class D Carbapenemases: A Structure-Guided Study of OXA-24 and OXA-48.
Acs Chem.Biol., 10, 2015
4JKX
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BU of 4jkx by Molmil
Crystal structure Mistletoe Lectin I from Viscum album in complex with kinetin at 2.35 A resolution.
分子名称: 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Prokofev, I.I, Lashkov, A.A, Gabdoulkhakov, A.G, Meyer, A, Barciszewski, J, Betzel, C, Mikhailov, A.M.
登録日2013-03-12
公開日2014-05-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Crystal structure Mistletoe Lectin I from Viscum album in complex with kinetin at 2.35 A resolution.
To be Published
4JKE
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Open and closed forms of T1789P human PRP8 RNase H-like domain with bound Mg ion
分子名称: MAGNESIUM ION, Pre-mRNA-processing-splicing factor 8
著者Schellenberg, M.J, Wu, T, Ritchie, D.B, Atta, K.A, MacMillan, A.M.
登録日2013-03-09
公開日2013-05-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献A conformational switch in PRP8 mediates metal ion coordination that promotes pre-mRNA exon ligation.
Nat.Struct.Mol.Biol., 20, 2013
4JKO
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Crystal structure of a catalytic mutant of Axe2 (Axe2_S15A), an acetylxylan esterase from Geobacillus stearothermophilus
分子名称: Acetyl xylan esterase, GLYCEROL, PHOSPHATE ION
著者Azulay, D, Lansky, S, Alalouf, O, Solomon, V, Alhassid, A, Belrahli, H, Govada, L, Chayan, N.E, Shoham, Y, Shoham, G.
登録日2013-03-11
公開日2014-02-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A unique octameric structure of Axe2, an intracellular acetyl-xylooligosaccharide esterase from Geobacillus stearothermophilus.
Acta Crystallogr.,Sect.D, 70, 2014
4JLG
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SETD7 in complex with inhibitor (R)-PFI-2 and S-adenosyl-methionine
分子名称: 8-fluoro-N-{(2R)-1-oxo-1-(pyrrolidin-1-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-yl}-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide, Histone-lysine N-methyltransferase SETD7, S-ADENOSYLMETHIONINE, ...
著者Dong, A, Wu, H, Zeng, H, El Bakkouri, M, Barsyte, D, Vedadi, M, Tatlock, J, Owen, D, Bunnage, M, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2013-03-12
公開日2013-04-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.896 Å)
主引用文献(R)-PFI-2 is a potent and selective inhibitor of SETD7 methyltransferase activity in cells.
Proc.Natl.Acad.Sci.USA, 111, 2014
3PDC
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BU of 3pdc by Molmil
Crystal structure of hydrolase domain of human soluble epoxide hydrolase complexed with a benzoxazole inhibitor
分子名称: Epoxide hydrolase 2, N-(5-chloro-1,3-benzoxazol-2-yl)-2-cyclopentylacetamide
著者Kurumbail, R.G, Williams, J.M.
登録日2010-10-22
公開日2011-04-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of potent inhibitors of soluble epoxide hydrolase by combinatorial library design and structure-based virtual screening.
J.Med.Chem., 54, 2011

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