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2K9G
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BU of 2k9g by Molmil
Solution structure of the third SH3 domain of the Cin85 adapter protein
Descriptor: SH3 domain-containing kinase-binding protein 1
Authors:Philippe, D.L, Ladbury, J.E, Pfuhl, M.
Deposit date:2008-10-10
Release date:2009-10-13
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structure of the Sh3-C domain of Cin85
To be Published
2K7W
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BU of 2k7w by Molmil
BAX Activation is Initiated at a Novel Interaction Site
Descriptor: Apoptosis regulator BAX, Bcl-2-like protein 11
Authors:Gavathiotis, E, Suzuki, M, Davis, M.L, Pitter, K, Bird, G.H, Katz, S.G, Tu, H.C, Kim, H, Cheng, E.H, Tjandra, N, Walensky, L.D.
Deposit date:2008-08-27
Release date:2008-10-21
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:BAX activation is initiated at a novel interaction site.
Nature, 455, 2008
8WXX
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BU of 8wxx by Molmil
Structure of WDR5 in complex with WIN motif containing SET1B E1750R/G1751V
Descriptor: SET1B, WD repeat-containing protein 5
Authors:Xu, L, Yang, Y.
Deposit date:2023-10-30
Release date:2024-06-26
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural studies of WDR5 in complex with MBD3C WIN motif reveal a unique binding mode.
J.Biol.Chem., 2024
4QAW
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BU of 4qaw by Molmil
Structure of modular Xyn30D from Paenibacillus barcinonensis
Descriptor: CALCIUM ION, Xyn30D
Authors:Sainz-Polo, M.A, Sanz-Aparicio, J.
Deposit date:2014-05-06
Release date:2014-10-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Analysis of Glucuronoxylan-specific Xyn30D and Its Attached CBM35 Domain Gives Insights into the Role of Modularity in Specificity.
J.Biol.Chem., 289, 2014
8Z4B
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BU of 8z4b by Molmil
Crystal structure of LysB22-AspB28 insulin analog at ambient structure
Descriptor: CHLORIDE ION, Insulin A chain, Insulin B chain, ...
Authors:Ayan, E, Demirci, H.
Deposit date:2024-04-17
Release date:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of LysB22-AspB28 insulin analog at ambient structure
To Be Published
2KQC
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BU of 2kqc by Molmil
Second PBZ domain of human APLF protein
Descriptor: Aprataxin and PNK-like factor, ZINC ION
Authors:Neuhaus, D, Eustermann, S, Brockmann, C, Yang, J.
Deposit date:2009-11-04
Release date:2010-01-19
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structures of the two PBZ domains from human APLF and their interaction with poly(ADP-ribose).
Nat.Struct.Mol.Biol., 17, 2010
9ICD
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BU of 9icd by Molmil
CATALYTIC MECHANISM OF NADP+-DEPENDENT ISOCITRATE DEHYDROGENASE: IMPLICATIONS FROM THE STRUCTURES OF MAGNESIUM-ISOCITRATE AND NADP+ COMPLEXES
Descriptor: ISOCITRATE DEHYDROGENASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Hurley, J.H, Dean, A.M, Koshland Jr, D.E, Stroud, R.M.
Deposit date:1991-07-29
Release date:1991-10-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Catalytic mechanism of NADP(+)-dependent isocitrate dehydrogenase: implications from the structures of magnesium-isocitrate and NADP+ complexes.
Biochemistry, 30, 1991
1Q5X
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BU of 1q5x by Molmil
Structure of OF RRAA (MENG), a protein inhibitor of RNA processing
Descriptor: REGULATOR OF RNASE E ACTIVITY A
Authors:Monzingo, A.F, Gao, J, Qiu, J, Georgiou, G, Robertus, J.D.
Deposit date:2003-08-11
Release date:2003-09-30
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:The X-ray Structure of Escherichia coli RraA (MenG), A Protein Inhibitor of RNA Processing.
J.Mol.Biol., 332, 2003
4N0H
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BU of 4n0h by Molmil
Crystal structure of S. cerevisiae mitochondrial GatFAB
Descriptor: Glutamyl-tRNA(Gln) amidotransferase subunit A, mitochondrial, Glutamyl-tRNA(Gln) amidotransferase subunit B, ...
Authors:Araiso, Y, Ishitani, R, Nureki, O.
Deposit date:2013-10-02
Release date:2014-04-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.952 Å)
Cite:Crystal structure of Saccharomyces cerevisiae mitochondrial GatFAB reveals a novel subunit assembly in tRNA-dependent amidotransferases
Nucleic Acids Res., 42, 2014
2H0Q
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BU of 2h0q by Molmil
Crystal Structure of the PGM domain of the Suppressor of T-Cell receptor (Sts-1)
Descriptor: Suppressor of T-cell receptor signaling 1
Authors:Nassar, N, Ford, B, Carpino, N.
Deposit date:2006-05-15
Release date:2007-11-06
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:A phosphatase activity of Sts-1 contributes to the suppression of TCR signaling.
Mol.Cell, 27, 2007
1ZEG
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BU of 1zeg by Molmil
STRUCTURE OF B28 ASP INSULIN IN COMPLEX WITH PHENOL
Descriptor: CHLORIDE ION, INSULIN, PHENOL, ...
Authors:Whittingham, J.L, Edwards, E.J, Antson, A.A, Clarkson, J.M, Dodson, G.G.
Deposit date:1998-05-01
Release date:1998-07-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Interactions of phenol and m-cresol in the insulin hexamer, and their effect on the association properties of B28 pro --> Asp insulin analogues.
Biochemistry, 37, 1998
8UR9
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BU of 8ur9 by Molmil
Crystal Structure of the SARS-CoV-2 Main Protease in Complex with Compound 61
Descriptor: (5P)-5-[(1P,3M,3'P)-3-{3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl]-1-methylpyrimidine-2,4(1H,3H)-dione, 3C-like proteinase nsp5
Authors:Papini, C, Zhang, C.H, Jorgensen, W.L, Anderson, K.S.
Deposit date:2023-10-25
Release date:2024-05-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Proof-of-concept studies with a computationally designed M pro inhibitor as a synergistic combination regimen alternative to Paxlovid.
Proc.Natl.Acad.Sci.USA, 121, 2024
7OK8
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BU of 7ok8 by Molmil
Crystal structure of human carbonic anhydrase II with 4-((2-hydroxy-3-(phenylselanyl)propyl)thio)benzenesulfonamide
Descriptor: 4-((2-hydroxy-3-(phenylselanyl)propyl)thio)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2021-05-17
Release date:2022-06-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Chalcogenides-incorporating carbonic anhydrase inhibitors concomitantly reverted oxaliplatin-induced neuropathy and enhanced antiproliferative action.
Eur.J.Med.Chem., 225, 2021
8URN
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BU of 8urn by Molmil
Crystal structure of EscI(51-87)-linker-EtgA(18-152) fusion protein
Descriptor: EscI inner rod protein type III secretion system,EtgA protein, SULFATE ION
Authors:van den Akker, F.
Deposit date:2023-10-26
Release date:2024-02-14
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structural insights into peptidoglycan glycosidase EtgA binding to the inner rod protein EscI of the type III secretion system via a designed EscI-EtgA fusion protein.
Protein Sci., 33, 2024
8TU9
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BU of 8tu9 by Molmil
Cryo-EM structure of HGSNAT-acetyl-CoA complex at pH 7.5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYL COENZYME *A, Enhanced green fluorescent protein,Heparan-alpha-glucosaminide N-acetyltransferase,Isoform 2 of Heparan-alpha-glucosaminide N-acetyltransferase
Authors:Navratna, V, Kumar, A, Mosalaganti, S.
Deposit date:2023-08-15
Release date:2024-02-07
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite:Structure of the human heparan-alpha-glucosaminide N-acetyltransferase (HGSNAT)
eLife, 13, 2024
3OOF
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BU of 3oof by Molmil
Crystal structure of human FXR in complex with 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)benzoic acid
Descriptor: 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)benzoic acid, Bile acid receptor, peptide of Nuclear receptor coactivator 1
Authors:Rudolph, M.G.
Deposit date:2010-08-31
Release date:2011-01-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Optimization of a novel class of benzimidazole-based farnesoid X receptor (FXR) agonists to improve physicochemical and ADME properties
Bioorg.Med.Chem.Lett., 21, 2011
8UA2
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BU of 8ua2 by Molmil
Crystal Structure of infected cell protein 0 (ICP0) from herpes simplex virus 1 (proteolyzed fragment)
Descriptor: IODIDE ION, RL2
Authors:Lovell, S, Kashipathy, M, Battaile, K.P, Cooper, A, Davido, D.
Deposit date:2023-09-20
Release date:2024-02-28
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:HSV-1 ICP0 dimer domain adopts a novel beta-barrel fold.
Proteins, 92, 2024
8UA5
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BU of 8ua5 by Molmil
Crystal Structure of infected cell protein 0 (ICP0) from herpes simplex virus 1 (A636-Q776)
Descriptor: CHLORIDE ION, GLYCEROL, IODIDE ION, ...
Authors:Lovell, S, Kashipathy, M, Battaile, K.P, Cooper, A, Davido, D.
Deposit date:2023-09-20
Release date:2024-02-28
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:HSV-1 ICP0 dimer domain adopts a novel beta-barrel fold.
Proteins, 92, 2024
2KQB
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BU of 2kqb by Molmil
First PBZ domain of human APLF protein
Descriptor: Aprataxin and PNK-like factor, ZINC ION
Authors:Neuhaus, D, Eustermann, S, Brockmann, C, Yang, J.
Deposit date:2009-11-04
Release date:2010-01-19
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Solution structures of the two PBZ domains from human APLF and their interaction with poly(ADP-ribose).
Nat.Struct.Mol.Biol., 17, 2010
2PU4
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BU of 2pu4 by Molmil
AmpC beta-lacamase with bound covalent oxadiazole inhibitor
Descriptor: Beta-lactamase, DIMETHYL SULFOXIDE, SULFATE ION, ...
Authors:Babaoglu, K, Shoichet, B.K.
Deposit date:2007-05-08
Release date:2008-04-15
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Comprehensive mechanistic analysis of hits from high-throughput and docking screens against beta-lactamase.
J.Med.Chem., 51, 2008
2KOM
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BU of 2kom by Molmil
Solution structure of humar Par-3b PDZ2 (residues 451-549)
Descriptor: Partitioning defective 3 homolog
Authors:Volkman, B.F, Tyler, R.C, Peterson, F.C, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2009-09-24
Release date:2009-11-10
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Rapid, robotic, small-scale protein production for NMR screening and structure determination.
Protein Sci., 19, 2010
7CPX
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BU of 7cpx by Molmil
Lovastatin nonaketide synthase
Descriptor: Lovastatin nonaketide synthase, polyketide synthase component, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Wang, J, Wang, Z.
Deposit date:2020-08-08
Release date:2021-01-13
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.91 Å)
Cite:Structural basis for the biosynthesis of lovastatin.
Nat Commun, 12, 2021
8XI8
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BU of 8xi8 by Molmil
The Crystal Structure of TAB1 from Biortus.
Descriptor: TGF-beta-activated kinase 1 and MAP3K7-binding protein 1
Authors:Wang, F, Cheng, W, Lv, Z, Ju, C, Bao, C.
Deposit date:2023-12-19
Release date:2024-03-06
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:The Crystal Structure of TAB1 from Biortus.
To Be Published
2KUR
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BU of 2kur by Molmil
Solution Structure of K10 TLS RNA (AU mutant in upper helix)
Descriptor: K10 TLS RNA
Authors:Bullock, S.L, Ringel, I, Ish-Horowicz, D, Lukavsky, P.J.
Deposit date:2010-02-25
Release date:2010-05-19
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:A'-form RNA helices are required for cytoplasmic mRNA transport in Drosophila.
Nat.Struct.Mol.Biol., 17, 2010
2KUV
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BU of 2kuv by Molmil
Solution Structure of K10 TLS RNA (GC mutant in lower helix)
Descriptor: K10 TLS RNA
Authors:Bullock, S.L, Ringel, I, Ish-Horowicz, D, Lukavsky, P.J.
Deposit date:2010-03-01
Release date:2010-05-19
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:A'-form RNA helices are required for cytoplasmic mRNA transport in Drosophila.
Nat.Struct.Mol.Biol., 17, 2010

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数据于2024-07-10公开中

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