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6BMX
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BU of 6bmx by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor SHP844
Descriptor: 1-(3-chloro-4-{[1-(2-hydroxy-3-methoxyphenyl)-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]methyl}benzene-1-carbonyl)-L-proline, GLYCEROL, PHOSPHATE ION, ...
Authors:Stams, T, Fodor, M.
Deposit date:2017-11-15
Release date:2018-01-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.424 Å)
Cite:Dual Allosteric Inhibition of SHP2 Phosphatase.
ACS Chem. Biol., 13, 2018
6CRF
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BU of 6crf by Molmil
Crystal Structure of Shp2 E76K GOF Mutant in the Open Conformation
Descriptor: GLYCEROL, Tyrosine-protein phosphatase non-receptor type 11
Authors:Stams, T, Fodor, M.
Deposit date:2018-03-17
Release date:2018-11-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Structural reorganization of SHP2 by oncogenic mutations and implications for oncoprotein resistance to allosteric inhibition.
Nat Commun, 9, 2018
7L57
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BU of 7l57 by Molmil
Cryo-EM structure of the SARS-CoV-2 spike glycoprotein bound to Fab 2-15
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Rapp, M, Shapiro, L.
Deposit date:2020-12-21
Release date:2021-04-14
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (5.87 Å)
Cite:Modular basis for potent SARS-CoV-2 neutralization by a prevalent VH1-2-derived antibody class.
Cell Rep, 35, 2021
7L56
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BU of 7l56 by Molmil
Cryo-EM structure of the SARS-CoV-2 spike glycoprotein bound to Fab 2-43
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 2-43 variable domain heavy chain, ...
Authors:Rapp, M, Shapiro, L.
Deposit date:2020-12-21
Release date:2021-04-14
Last modified:2023-04-05
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Modular basis for potent SARS-CoV-2 neutralization by a prevalent VH1-2-derived antibody class.
Cell Rep, 35, 2021
7L58
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BU of 7l58 by Molmil
Cryo-EM structure of the SARS-CoV-2 spike glycoprotein bound to Fab H4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab H4 variable domain heavy chain, ...
Authors:Rapp, M, Shapiro, L.
Deposit date:2020-12-21
Release date:2021-04-14
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (5.07 Å)
Cite:Modular basis for potent SARS-CoV-2 neutralization by a prevalent VH1-2-derived antibody class.
Cell Rep, 35, 2021
6CRG
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BU of 6crg by Molmil
Crystal Structure of Shp2 E76K GOF Mutant in complex with SHP099
Descriptor: 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, GLYCEROL, SULFATE ION, ...
Authors:Stams, T, Fodor, M.
Deposit date:2018-03-17
Release date:2018-11-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural reorganization of SHP2 by oncogenic mutations and implications for oncoprotein resistance to allosteric inhibition.
Nat Commun, 9, 2018
6BMW
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BU of 6bmw by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitors SHP099 and SHP504
Descriptor: 3-{4-[(2-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-4-hydroxybenzoic acid, 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, GLYCEROL, ...
Authors:Stams, T, Fodor, M.
Deposit date:2017-11-15
Release date:2018-01-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Dual Allosteric Inhibition of SHP2 Phosphatase.
ACS Chem. Biol., 13, 2018
3SFH
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BU of 3sfh by Molmil
Crystal Structure of Human HDAC8 Inhibitor Complex, an Amino Acid Derived Inhibitor
Descriptor: (2R)-2-amino-3-(2,4-dichlorophenyl)-1-(1,3-dihydro-2H-isoindol-2-yl)propan-1-one, ACETATE ION, Histone deacetylase 8, ...
Authors:Stams, T, Vash, B.
Deposit date:2011-06-13
Release date:2011-07-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Human HDAC isoform selectivity achieved via exploitation of the acetate release channel with structurally unique small molecule inhibitors.
Bioorg.Med.Chem., 19, 2011
3SFF
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BU of 3sff by Molmil
Crystal Structure of Human HDAC8 Inhibitor Complex, an Amino Acid Derived Inhibitor
Descriptor: (2R)-2-amino-3-(3-chlorophenyl)-1-[4-(2,5-difluorobenzoyl)piperazin-1-yl]propan-1-one, Histone deacetylase 8, POTASSIUM ION, ...
Authors:Stams, T, Vash, B.
Deposit date:2011-06-13
Release date:2011-07-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Human HDAC isoform selectivity achieved via exploitation of the acetate release channel with structurally unique small molecule inhibitors.
Bioorg.Med.Chem., 19, 2011
6LKY
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BU of 6lky by Molmil
Crystal structure of isocitrate dehydrogenase from Methylococcus capsulatus
Descriptor: ACETATE ION, ACETYL GROUP, CITRIC ACID, ...
Authors:Huang, S, Wang, P, Zhu, G.P.
Deposit date:2019-12-21
Release date:2020-12-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of isocitrate dehydrogenase from Methylococcus capsulatus
To Be Published
7DW9
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BU of 7dw9 by Molmil
Cryo-EM structure of human V2 vasopressin receptor in complex with an Gs protein
Descriptor: CHOLESTEROL, CYS-TYR-PHE-GLN-ASN-CYS-PRO-ARG-GLY-NH2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Zhou, F, Jiang, Y.
Deposit date:2021-01-15
Release date:2021-07-21
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Molecular basis of ligand recognition and activation of human V2 vasopressin receptor.
Cell Res., 31, 2021
7ECW
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BU of 7ecw by Molmil
The Csy-AcrIF14-dsDNA complex
Descriptor: 54-MER DNA, AcrIF14, CRISPR type I-F/YPEST-associated protein Csy2, ...
Authors:Zhang, L.X, Feng, Y.
Deposit date:2021-03-13
Release date:2021-11-17
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Insights into the dual functions of AcrIF14 during the inhibition of type I-F CRISPR-Cas surveillance complex.
Nucleic Acids Res., 49, 2021
7ECV
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BU of 7ecv by Molmil
The Csy-AcrIF14 complex
Descriptor: AcrIF14, CRISPR type I-F/YPEST-associated protein Csy2, CRISPR-associated protein Csy3, ...
Authors:Zhang, L.X, Feng, Y.
Deposit date:2021-03-13
Release date:2021-11-17
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.43 Å)
Cite:Insights into the dual functions of AcrIF14 during the inhibition of type I-F CRISPR-Cas surveillance complex.
Nucleic Acids Res., 49, 2021
7DU0
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BU of 7du0 by Molmil
Structure of an type I-F anti-crispr protein
Descriptor: AcrIF14
Authors:Teng, G, Yue, F.
Deposit date:2021-01-07
Release date:2021-11-17
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Insights into the dual functions of AcrIF14 during the inhibition of type I-F CRISPR-Cas surveillance complex.
Nucleic Acids Res., 49, 2021
7ELC
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BU of 7elc by Molmil
Structure of monomeric complex of MACV L bound to Z and 3'-vRNA
Descriptor: 3'-vRNA promoter, MANGANESE (II) ION, RING finger protein Z, ...
Authors:Xu, X, Peng, R, Peng, Q, Shi, Y.
Deposit date:2021-04-09
Release date:2021-05-05
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM structures of Lassa and Machupo virus polymerases complexed with cognate regulatory Z proteins identify targets for antivirals.
Nat Microbiol, 6, 2021
7ELA
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BU of 7ela by Molmil
Structure of Lassa virus polymerase in complex with 3'-vRNA and Z mutant (F36A)
Descriptor: 3-'vRNA promoter, MANGANESE (II) ION, RING finger protein Z, ...
Authors:Xu, X, Peng, R, Peng, Q, Shi, Y.
Deposit date:2021-04-09
Release date:2021-05-05
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Cryo-EM structures of Lassa and Machupo virus polymerases complexed with cognate regulatory Z proteins identify targets for antivirals.
Nat Microbiol, 6, 2021
7EL9
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BU of 7el9 by Molmil
Structure of Machupo virus L polymerase in complex with Z protein and 3'-vRNA (dimeric complex)
Descriptor: MANGANESE (II) ION, Machupo virus 3'-vRNA promoter, RING finger protein Z, ...
Authors:Peng, R, Xu, X, Peng, Q, Shi, Y.
Deposit date:2021-04-09
Release date:2021-05-05
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structures of Lassa and Machupo virus polymerases complexed with cognate regulatory Z proteins identify targets for antivirals.
Nat Microbiol, 6, 2021
7ELB
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BU of 7elb by Molmil
Structure of Machupo virus L polymerase in complex with Z protein (dimeric form)
Descriptor: MANGANESE (II) ION, RING finger protein Z, RNA-directed RNA polymerase L, ...
Authors:Peng, R, Xu, X, Peng, Q, Shi, Y.
Deposit date:2021-04-09
Release date:2021-05-05
Last modified:2021-07-14
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Cryo-EM structures of Lassa and Machupo virus polymerases complexed with cognate regulatory Z proteins identify targets for antivirals.
Nat Microbiol, 6, 2021
7FIL
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BU of 7fil by Molmil
The cryo-EM structure of the NTD2 from the X. laevis Nup358
Descriptor: Nup358 complex, clamps
Authors:Shi, Y, Zhan, X, Huang, G.
Deposit date:2021-07-31
Release date:2022-06-01
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure of the cytoplasmic ring of the Xenopus laevis nuclear pore complex.
Science, 376, 2022
7CQW
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BU of 7cqw by Molmil
GmaS/ADP complex-Conformation 1
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Type III glutamate--ammonia ligase
Authors:Li, C.Y, Zhang, Y.Z.
Deposit date:2020-08-11
Release date:2020-11-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.297 Å)
Cite:Crystal structures of gamma-glutamylmethylamide synthetase provide insight into bacterial metabolism of oceanic monomethylamine.
J.Biol.Chem., 296, 2020
7D4N
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BU of 7d4n by Molmil
Crystal structure of Tmm from strain HTCC7211 soaked with DMS for 20 min
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Flavin-containing monooxygenase FMO, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Li, C.Y, Zhang, Y.Z.
Deposit date:2020-09-24
Release date:2021-09-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:Structural and Mechanistic Insights Into Dimethylsulfoxide Formation Through Dimethylsulfide Oxidation.
Front Microbiol, 12, 2021
7D4M
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BU of 7d4m by Molmil
Crystal structure of Tmm from strain HTCC7211 soaked with DMS for 5 min
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Flavin-containing monooxygenase FMO, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Li, C.Y, Zhang, Y.Z.
Deposit date:2020-09-24
Release date:2021-09-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.786 Å)
Cite:Structural and Mechanistic Insights Into Dimethylsulfoxide Formation Through Dimethylsulfide Oxidation.
Front Microbiol, 12, 2021
7D4K
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BU of 7d4k by Molmil
Crystal structure of Tmm from Pelagibacter sp. strain HTCC7211
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Flavin-containing monooxygenase FMO, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Li, C.Y, Zhang, Y.Z.
Deposit date:2020-09-24
Release date:2021-09-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Mechanistic Insights Into Dimethylsulfoxide Formation Through Dimethylsulfide Oxidation.
Front Microbiol, 12, 2021
7FIK
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BU of 7fik by Molmil
The cryo-EM structure of the CR subunit from X. laevis NPC
Descriptor: MGC154553 protein, MGC83295 protein, MGC83926 protein, ...
Authors:Shi, Y, Huang, G, Zhan, X.
Deposit date:2021-07-31
Release date:2022-11-09
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structure of the cytoplasmic ring of the Xenopus laevis nuclear pore complex.
Science, 376, 2022
7CQQ
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BU of 7cqq by Molmil
GmaS in complex with AMPPNP and MetSox
Descriptor: (2S)-2-AMINO-4-(METHYLSULFONIMIDOYL)BUTANOIC ACID, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Li, C.Y, Zhang, Y.Z.
Deposit date:2020-08-11
Release date:2020-11-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.295 Å)
Cite:Crystal structures of gamma-glutamylmethylamide synthetase provide insight into bacterial metabolism of oceanic monomethylamine.
J.Biol.Chem., 296, 2020

226707

數據於2024-10-30公開中

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