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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
Descriptor: 23S ribosomal RNA, 50S ribosomal protein L10, 50S ribosomal protein L10e, ...
Authors:Gurel, G, Blaha, G, Moore, P.B, Steitz, T.A.
Deposit date:2009-02-04
Release date:2009-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite: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
Descriptor: 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL, PHOSPHATE ION, Purine nucleoside phosphorylase
Authors:Rinaldo-Matthis, A, Almo, S.C, Schramm, V.L.
Deposit date:2006-12-20
Release date:2007-05-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.59 Å)
Cite: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
Descriptor: LIPOCALIN ALLERGEN
Authors:Niemi, M.H, Rouvinen, J.
Deposit date:2014-01-10
Release date:2014-06-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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)
Descriptor: (1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropanecarboxylic acid, Beta-lactamase CTX-M-9a
Authors:Chen, Y, Shoichet, B.K.
Deposit date:2009-02-01
Release date:2009-03-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: 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, ...
Authors:Marmorstein, R, Sanders, B.D.
Deposit date:2006-12-21
Release date:2007-02-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.05 Å)
Cite: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
Descriptor: Antibody Fab fragment heavy chain, Antibody Fab fragment light chain, SODIUM ION, ...
Authors:Lockless, S.W, Zhou, M, MacKinnon, R.
Deposit date:2006-10-19
Release date:2007-05-15
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite: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
Descriptor: ADENOSINE MONOPHOSPHATE, PHENYLALANINE, Phenylalanyl-tRNA synthetase, ...
Authors:Mermershtain, I, Finarov, I, Klipcan, L, Kessler, N, Rozenberg, H, Safro, M.G.
Deposit date:2010-10-21
Release date:2011-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.02 Å)
Cite: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.
Descriptor: DNA ligase 3
Authors:Cuneo, M.J, Krahn, J.M, London, R.E.
Deposit date:2010-10-21
Release date:2011-06-15
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite: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
Descriptor: Protein B2
Authors:Korber, S, Shaik Syed Ali, P, Chen, J.C.
Deposit date:2009-02-11
Release date:2010-01-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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.
Descriptor: DNA repair protein XRCC1
Authors:Cuneo, M.J, Krahn, J.M, London, R.E.
Deposit date:2010-10-21
Release date:2011-06-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: 4'-PHOSPHOPANTETHEINE, 5'-O-(glycylsulfamoyl)adenosine, Amino acid--[acyl-carrier-protein] ligase 1, ...
Authors:Luic, M, Weygand-Durasevic, I, Ivic, N, Mocibob, M.
Deposit date:2012-09-13
Release date:2013-03-06
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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
Descriptor: Phosphoadenosine phosphosulfate reductase, Thioredoxin 1
Authors:Chartron, J, Shiau, C, Stout, C.D, Carroll, K.S.
Deposit date:2006-12-12
Release date:2007-03-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3 Å)
Cite: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
Descriptor: 5-amino-1-tert-butyl-3-(7-ethoxyquinolin-3-yl)-1H-pyrazole-4-carboxamide, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A.
Deposit date:2014-01-28
Release date:2014-03-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine, CG1753, isoform A, ...
Authors:Koutmos, M, Smith, J.L.
Deposit date:2010-10-21
Release date:2010-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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)
Descriptor: 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 26S proteasome non-ATPase regulatory subunit 7, DODECAETHYLENE GLYCOL, ...
Authors:Sanches, M, Alves, B.S.C, Zanchin, N.I.T, Guimaraes, B.G.
Deposit date:2006-12-13
Release date:2007-07-17
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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
Descriptor: DECORIN-BINDING PROTEIN DbpA, NICKEL (II) ION
Authors:Tomchick, D.R, Deka, R.K, Blevins, J.S.
Deposit date:2014-01-28
Release date:2014-07-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: 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
Authors:Wang, Z, Sudom, A, Walker, N.P.
Deposit date:2010-10-22
Release date:2011-10-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, COBALAMIN, ...
Authors:St Maurice, M, Mera, P.E, Escalante-Semerena, J.C, Rayment, I.
Deposit date:2009-02-17
Release date:2009-07-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.48 Å)
Cite: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
Descriptor: Hypothetical protein
Authors: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)
Deposit date:2007-01-16
Release date:2007-01-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, Beta-lactamase, ...
Authors:Mangani, S, Benvenuti, M, Docquier, J.-D.
Deposit date:2014-10-08
Release date:2014-12-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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.
Descriptor: 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Prokofev, I.I, Lashkov, A.A, Gabdoulkhakov, A.G, Meyer, A, Barciszewski, J, Betzel, C, Mikhailov, A.M.
Deposit date:2013-03-12
Release date:2014-05-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite: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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BU of 4jke by Molmil
Open and closed forms of T1789P human PRP8 RNase H-like domain with bound Mg ion
Descriptor: MAGNESIUM ION, Pre-mRNA-processing-splicing factor 8
Authors:Schellenberg, M.J, Wu, T, Ritchie, D.B, Atta, K.A, MacMillan, A.M.
Deposit date:2013-03-09
Release date:2013-05-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite: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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BU of 4jko by Molmil
Crystal structure of a catalytic mutant of Axe2 (Axe2_S15A), an acetylxylan esterase from Geobacillus stearothermophilus
Descriptor: Acetyl xylan esterase, GLYCEROL, PHOSPHATE ION
Authors:Azulay, D, Lansky, S, Alalouf, O, Solomon, V, Alhassid, A, Belrahli, H, Govada, L, Chayan, N.E, Shoham, Y, Shoham, G.
Deposit date:2013-03-11
Release date:2014-02-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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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BU of 4jlg by Molmil
SETD7 in complex with inhibitor (R)-PFI-2 and S-adenosyl-methionine
Descriptor: 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, ...
Authors: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)
Deposit date:2013-03-12
Release date:2013-04-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.896 Å)
Cite:(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
Descriptor: Epoxide hydrolase 2, N-(5-chloro-1,3-benzoxazol-2-yl)-2-cyclopentylacetamide
Authors:Kurumbail, R.G, Williams, J.M.
Deposit date:2010-10-22
Release date:2011-04-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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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數據於2024-07-17公開中

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