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8IGA
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BU of 8iga by Molmil
Crystal structure of SARS-Cov-2 main protease K90R mutant in complex with GC376
Descriptor: 3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Authors:Wang, J, Zhang, J, Li, J.
Deposit date:2023-02-20
Release date:2024-03-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376.
J.Mol.Biol., 436, 2024
8IGB
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BU of 8igb by Molmil
Crystal structure of SARS-Cov-2 main protease P132H mutant in complex with GC376
Descriptor: 3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Authors:Li, W.W, Zhang, J, Li, J.
Deposit date:2023-02-20
Release date:2024-03-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376.
J.Mol.Biol., 436, 2024
8HUW
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BU of 8huw by Molmil
Crystal structure of SARS-Cov-2 main protease K90R mutant in complex with S217622
Descriptor: 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione
Authors:Wang, J, Zhang, J, Li, J.
Deposit date:2022-12-24
Release date:2023-06-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural basis for the inhibition of coronaviral main proteases by ensitrelvir.
Structure, 31, 2023
8HUX
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BU of 8hux by Molmil
Crystal structure of SARS-Cov-2 main protease P132H mutant in complex with S217622
Descriptor: 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione
Authors:Li, W.W, Zhang, J, Li, J.
Deposit date:2022-12-24
Release date:2023-06-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structural basis for the inhibition of coronaviral main proteases by ensitrelvir.
Structure, 31, 2023
8HUR
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BU of 8hur by Molmil
Crystal structure of SARS-Cov-2 main protease in complex with S217622
Descriptor: 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione
Authors:Zhou, X.L, Zhang, J, Li, J.
Deposit date:2022-12-24
Release date:2023-06-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structural basis for the inhibition of coronaviral main proteases by ensitrelvir.
Structure, 31, 2023
8HUV
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BU of 8huv by Molmil
Crystal structure of SARS-Cov-2 main protease G15S mutant in complex with S217622
Descriptor: 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione
Authors:Zeng, P, Zhang, J, Li, J.
Deposit date:2022-12-24
Release date:2023-06-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural basis for the inhibition of coronaviral main proteases by ensitrelvir.
Structure, 31, 2023
8HUU
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BU of 8huu by Molmil
Crystal structure of HCoV-NL63 main protease with S217622
Descriptor: 3C-like proteinase, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione
Authors:Zeng, X.Y, Zhang, J, Li, J.
Deposit date:2022-12-24
Release date:2023-06-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Structural basis for the inhibition of coronaviral main proteases by ensitrelvir.
Structure, 31, 2023
3T8S
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BU of 3t8s by Molmil
Apo and InsP3-bound Crystal Structures of the Ligand-Binding Domain of an InsP3 Receptor
Descriptor: D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Inositol 1,4,5-trisphosphate receptor type 1
Authors:Lin, C, Baek, K, Lu, Z.
Deposit date:2011-08-01
Release date:2011-09-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.77 Å)
Cite:Apo and InsP(3)-bound crystal structures of the ligand-binding domain of an InsP(3) receptor.
Nat.Struct.Mol.Biol., 18, 2011
2RIM
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BU of 2rim by Molmil
Crystal structure of Rtt109
Descriptor: Regulator of Ty1 transposition protein 109
Authors:Yuan, Y.A.
Deposit date:2007-10-12
Release date:2008-09-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural insights into histone h3 lysine 56 acetylation by rtt109
Structure, 16, 2008
2ZFN
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BU of 2zfn by Molmil
Self-acetylation mediated histone H3 lysine 56 acetylation by rtt109
Descriptor: ACETYL COENZYME *A, GLYCEROL, Regulator of Ty1 transposition protein 109
Authors:Yuan, Y.A.
Deposit date:2008-01-08
Release date:2008-09-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural insights into histone h3 lysine 56 acetylation by rtt109
Structure, 16, 2008
6HKR
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BU of 6hkr by Molmil
Human Cellular Retinoic Acid Binding Protein II (CRABPII) with bound synthetic retinoid DC271.
Descriptor: 1,2-ETHANEDIOL, 4-[2-(4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinolin-6-yl)ethynyl]benzoic acid, Cellular retinoic acid-binding protein 2, ...
Authors:Tomlinson, C, Chisholm, D, Whiting, A, Pohl, E.
Deposit date:2018-09-07
Release date:2018-11-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Novel Fluorescence Competition Assay for Retinoic Acid Binding Proteins.
ACS Med Chem Lett, 9, 2018
6U82
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BU of 6u82 by Molmil
Crystal Structure of the Double Homeodomain of DUX4 in Complex with a DNA aptamer containing bulge and loop
Descriptor: DNA (38-MER), Double homeobox protein 4
Authors:Shi, K, Aihara, H.
Deposit date:2019-09-04
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:DNA aptamers against the DUX4 protein reveal novel therapeutic implications for FSHD.
Faseb J., 34, 2020
6U81
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BU of 6u81 by Molmil
Crystal Structure of the Double Homeodomain of DUX4 in Complex with a DNA aptamer
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*GP*CP*GP*TP*AP*AP*TP*CP*TP*AP*AP*TP*CP*AP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*TP*GP*AP*TP*TP*AP*GP*CP*CP*CP*AP*TP*TP*AP*CP*GP*C)-3'), ...
Authors:Shi, K, Aihara, H.
Deposit date:2019-09-04
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:DNA aptamers against the DUX4 protein reveal novel therapeutic implications for FSHD.
Faseb J., 34, 2020
8QTQ
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BU of 8qtq by Molmil
Thermostable WW domain
Descriptor: WW domain
Authors:Kovermann, M, Thomas, F.
Deposit date:2023-10-13
Release date:2024-07-03
Method:SOLUTION NMR
Cite:Thermostable WW-Domain Scaffold to Design Functional beta-Sheet Miniproteins.
J.Am.Chem.Soc., 2024
7NUW
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BU of 7nuw by Molmil
Crystal structure of the TIR domain of human TLR1 (crystallised with Zn2+ ions)
Descriptor: Toll-like receptor 1
Authors:Vakhrameev, D.D, Luginina, A.P, Shevtsov, M.B, Lushpa, V.A, Mineev, K.S, Borshchevskiy, V.I.
Deposit date:2021-03-15
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Modulation of Toll-like receptor 1 intracellular domain structure and activity by Zn 2+ ions.
Commun Biol, 4, 2021
7NUX
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BU of 7nux by Molmil
Crystal structure of the TIR domain of human TLR1 (crystallised without ZN2+ ions)
Descriptor: Toll-like receptor 1
Authors:Vakhrameev, D.D, Luginina, A.P, Shevtsov, M.B, Lushpa, V.A, Mineev, K.S, Borshchevskiy, V.I.
Deposit date:2021-03-15
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Modulation of Toll-like receptor 1 intracellular domain structure and activity by Zn 2+ ions.
Commun Biol, 4, 2021
7NT7
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BU of 7nt7 by Molmil
Solution structure of toll like receptor 1 (TLR1) TIR domain
Descriptor: Toll-like receptor 1
Authors:Mineev, K.S, Lushpa, V.A, Goncharuk, M.V.
Deposit date:2021-03-09
Release date:2021-08-25
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Modulation of Toll-like receptor 1 intracellular domain structure and activity by Zn 2+ ions.
Commun Biol, 4, 2021
2WFK
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BU of 2wfk by Molmil
Calcium bound LipL32
Descriptor: CALCIUM ION, LIPL32
Authors:Tung, J.-Y, Yang, C.-W, Sun, Y.-J.
Deposit date:2009-04-07
Release date:2009-11-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Calcium Binds to Lipl32, a Lipoprotein from Pathogenic Leptospira, and Modulates Fibronectin Binding.
J.Biol.Chem., 285, 2010
3EGA
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BU of 3ega by Molmil
Crystal structure of Pellino2 FHA Domain at 1.8 Angstroms resolution
Descriptor: Protein pellino homolog 2, SULFATE ION
Authors:Ferguson, K.M, Lin, C, Schmitz, K.R.
Deposit date:2008-09-10
Release date:2008-12-23
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Pellino proteins contain a cryptic FHA domain that mediates interaction with phosphorylated IRAK1.
Structure, 16, 2008
3EGB
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BU of 3egb by Molmil
Structure of Pellino2 FHA domain at 3.3 Angstroms resolution.
Descriptor: Protein pellino homolog 2
Authors:Ferguson, K.M, Lin, C, Schmitz, K.R.
Deposit date:2008-09-10
Release date:2008-12-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Pellino proteins contain a cryptic FHA domain that mediates interaction with phosphorylated IRAK1.
Structure, 16, 2008
4QXS
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BU of 4qxs by Molmil
Crystal structure of human FPPS in complex with WC01088
Descriptor: (2-{2-[(2S)-3-methylbutan-2-yl]-5-phenyl-1H-indol-3-yl}ethane-1,1-diyl)bis(phosphonic acid), Farnesyl pyrophosphate synthase, GLYCEROL, ...
Authors:Park, J, Zielinski, M, Weiling, C, Tsantrizos, Y.S, Berghuis, A.M.
Deposit date:2014-07-21
Release date:2015-02-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Probing the molecular and structural elements of ligands binding to the active site versus an allosteric pocket of the human farnesyl pyrophosphate synthase.
Bioorg.Med.Chem.Lett., 25, 2015
4W7L
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BU of 4w7l by Molmil
CRYSTAL STRUCTURE OF A DECOLORIZING PEROXIDASE (DYP) FROM AURICULARIA AURICULA-JUDAE. D168N MUTANT
Descriptor: Dye-decolorizing peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Medrano, F.J, Romero, A.
Deposit date:2014-08-22
Release date:2015-03-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Catalytic surface radical in dye-decolorizing peroxidase: a computational, spectroscopic and site-directed mutagenesis study.
Biochem.J., 466, 2015
8WZB
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BU of 8wzb by Molmil
RS head-neck monomer
Descriptor: DPY30 domain containing 2, DnaJ homolog subfamily B member 13, Nucleoside diphosphate kinase homolog 5, ...
Authors:Meng, X, Cong, Y.
Deposit date:2023-11-01
Release date:2024-02-07
Method:ELECTRON MICROSCOPY (3.28 Å)
Cite:Multi-scale structures of the mammalian radial spoke and divergence of axonemal complexes in ependymal cilia.
Nat Commun, 15, 2024
8X2U
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BU of 8x2u by Molmil
Radial spoke head-neck dimer
Descriptor: DPY30 domain containing 2, DnaJ homolog subfamily B member 13, Nucleoside diphosphate kinase homolog 5, ...
Authors:Meng, X, Cong, Y.
Deposit date:2023-11-10
Release date:2024-02-07
Method:ELECTRON MICROSCOPY (3.57 Å)
Cite:Multi-scale structures of the mammalian radial spoke and divergence of axonemal complexes in ependymal cilia.
Nat Commun, 15, 2024
122D
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BU of 122d by Molmil
DNA HELIX STRUCTURE AND REFINEMENT ALGORITHM: COMPARISON OF MODELS FOR D(CCAGGCM==5==CTGG) DERIVED FROM NUCLSQ, TNT, AND X-PLOR
Descriptor: DNA (5'-D(*CP*CP*AP*GP*GP*CP*(5CM)P*TP*GP*G)-3')
Authors:Hahn, M, Heinemann, U.
Deposit date:1993-05-03
Release date:1993-10-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:DNA helix structure and refinement algorithm: comparison of models for d(CCAGGCm5CTGG) derived from NUCLSQ, TNT and X-PLOR.
Acta Crystallogr.,Sect.D, 49, 1993

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