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8H8I
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BU of 8h8i by Molmil
Triterpenoid saponin acetyltransferase, AmAT7-3
Descriptor: AmAT7-3, Astragaloside IV
Authors:Wang, L.L.
Deposit date:2022-10-22
Release date:2023-09-13
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Characterization and structure-based protein engineering of a regiospecific saponin acetyltransferase from Astragalus membranaceus.
Nat Commun, 14, 2023
3DBZ
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BU of 3dbz by Molmil
human surfactant protein D
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Pulmonary surfactant-associated protein D
Authors:Head, J.F.
Deposit date:2008-06-02
Release date:2008-08-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Interaction of recombinant surfactant protein D with lipopolysaccharide: conformation and orientation of bound protein by IRRAS and simulations.
Biochemistry, 47, 2008
3OQ9
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BU of 3oq9 by Molmil
Structure of the FAS/FADD death domain assembly
Descriptor: Protein FADD, Tumor necrosis factor receptor superfamily member 6
Authors:Kabaleeswaran, V, Wu, H.
Deposit date:2010-09-02
Release date:2010-10-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (6.8 Å)
Cite:The Fas-FADD death domain complex structure reveals the basis of DISC assembly and disease mutations.
Nat.Struct.Mol.Biol., 17, 2010
4J6O
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BU of 4j6o by Molmil
Crystal Structure of the Phosphatase Domain of C. thermocellum (Bacterial) PnkP
Descriptor: CITRIC ACID, GLYCEROL, MANGANESE (II) ION, ...
Authors:Wang, L, Smith, P, Shuman, S.
Deposit date:2013-02-11
Release date:2013-04-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure and mechanism of the 2',3' phosphatase component of the bacterial Pnkp-Hen1 RNA repair system.
Nucleic Acids Res., 41, 2013
7WTK
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BU of 7wtk by Molmil
SARS-CoV-2 Omicron variant spike in complex with Fab XGv286
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of XGv286, ...
Authors:Wang, X, Fu, W.
Deposit date:2022-02-04
Release date:2022-12-14
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Selection and structural bases of potent broadly neutralizing antibodies from 3-dose vaccinees that are highly effective against diverse SARS-CoV-2 variants, including Omicron sublineages.
Cell Res., 32, 2022
7WTJ
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BU of 7wtj by Molmil
SARS-CoV-2 Omicron variant spike RBD in complex with Fab XGv286
Descriptor: Heavy chain of XGv286, Light chain of XGv286, Spike protein S1
Authors:Wang, X, Fu, W.
Deposit date:2022-02-04
Release date:2022-12-14
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Selection and structural bases of potent broadly neutralizing antibodies from 3-dose vaccinees that are highly effective against diverse SARS-CoV-2 variants, including Omicron sublineages.
Cell Res., 32, 2022
7WTG
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BU of 7wtg by Molmil
SARS-CoV-2 Omicron variant spike RBD in complex with Fab XGv051
Descriptor: Heavy chain of XGv051, Light chain of XGv051, Spike protein S1
Authors:Wang, X, Fu, W.
Deposit date:2022-02-04
Release date:2022-12-14
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Selection and structural bases of potent broadly neutralizing antibodies from 3-dose vaccinees that are highly effective against diverse SARS-CoV-2 variants, including Omicron sublineages.
Cell Res., 32, 2022
7WTH
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BU of 7wth by Molmil
SARS-CoV-2 Omicron variant spike RBD in complex with Fab XGv264
Descriptor: Heavy chain of XGv264, Light chain of XGv264, Spike protein S1
Authors:Wang, X, Fu, W.
Deposit date:2022-02-04
Release date:2022-12-14
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Selection and structural bases of potent broadly neutralizing antibodies from 3-dose vaccinees that are highly effective against diverse SARS-CoV-2 variants, including Omicron sublineages.
Cell Res., 32, 2022
7WTF
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BU of 7wtf by Molmil
SARS-CoV-2 Omicron variant spike in complex with Fab XGv051
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of XGv051, ...
Authors:Wang, X, Fu, W.
Deposit date:2022-02-04
Release date:2022-12-14
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Selection and structural bases of potent broadly neutralizing antibodies from 3-dose vaccinees that are highly effective against diverse SARS-CoV-2 variants, including Omicron sublineages.
Cell Res., 32, 2022
7WTI
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BU of 7wti by Molmil
SARS-CoV-2 Omicron variant spike in complex with Fab XGv264
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of XGv264, Light chain of XGv264, ...
Authors:Wang, X, Fu, W.
Deposit date:2022-02-04
Release date:2022-12-21
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Selection and structural bases of potent broadly neutralizing antibodies from 3-dose vaccinees that are highly effective against diverse SARS-CoV-2 variants, including Omicron sublineages.
Cell Res., 32, 2022
7YF1
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BU of 7yf1 by Molmil
Structure of FABP at 1.7 Angstroms resolution.
Descriptor: Fatty acid-binding protein, heart, PALMITIC ACID
Authors:Liu, Y.h, Wang, L.l.
Deposit date:2022-07-07
Release date:2022-09-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Insights into Mouse H-FABP.
Life, 12, 2022
8X1V
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BU of 8x1v by Molmil
NMR structure of a bimolecular parallel G-quadruplex formed by AAGGG repeats from pathogenic RFC1 gene
Descriptor: DNA (5'-D(*AP*AP*GP*GP*GP*AP*AP*GP*GP*GP*AP*A)-3')
Authors:Wang, Y, Guo, P, Han, D.
Deposit date:2023-11-08
Release date:2024-01-17
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural investigation of pathogenic RFC1 AAGGG pentanucleotide repeats reveals a role of G-quadruplex in dysregulated gene expression in CANVAS.
Nucleic Acids Res., 52, 2024
6N0Q
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BU of 6n0q by Molmil
BRAF in complex with N-(4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)phenyl)-3-(trifluoromethyl)benzamide.
Descriptor: N-[4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide, Serine/threonine-protein kinase B-raf
Authors:Mamo, M, Appleton, B.A.
Deposit date:2018-11-07
Release date:2019-10-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Design and Discovery ofN-(3-(2-(2-Hydroxyethoxy)-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide, a Selective, Efficacious, and Well-Tolerated RAF Inhibitor Targeting RAS Mutant Cancers: The Path to the Clinic.
J.Med.Chem., 63, 2020
6N0P
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BU of 6n0p by Molmil
BRAF in complex with N-(3-(2-(2-hydroxyethoxy)-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide (LXH254)
Descriptor: N-{3-[2-(2-hydroxyethoxy)-6-(morpholin-4-yl)pyridin-4-yl]-4-methylphenyl}-2-(trifluoromethyl)pyridine-4-carboxamide, Serine/threonine-protein kinase B-raf
Authors:Mamo, M, Appleton, B.A.
Deposit date:2018-11-07
Release date:2019-09-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Design and Discovery ofN-(3-(2-(2-Hydroxyethoxy)-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide, a Selective, Efficacious, and Well-Tolerated RAF Inhibitor Targeting RAS Mutant Cancers: The Path to the Clinic.
J.Med.Chem., 63, 2020
5VAL
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BU of 5val by Molmil
BRAF in Complex with N-(3-(tert-butyl)phenyl)-4-methyl-3-(6-morpholinopyrimidin-4-yl)benzamide
Descriptor: N-(3-tert-butylphenyl)-4-methyl-3-[6-(morpholin-4-yl)pyrimidin-4-yl]benzamide, Serine/threonine-protein kinase B-raf
Authors:Mamo, M, Appleton, B.A.
Deposit date:2017-03-27
Release date:2017-06-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Design and Discovery of N-(2-Methyl-5'-morpholino-6'-((tetrahydro-2H-pyran-4-yl)oxy)-[3,3'-bipyridin]-5-yl)-3-(trifluoromethyl)benzamide (RAF709): A Potent, Selective, and Efficacious RAF Inhibitor Targeting RAS Mutant Cancers.
J. Med. Chem., 60, 2017
5VAM
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BU of 5vam by Molmil
BRAF in Complex with RAF709
Descriptor: N-{2-methyl-5'-(morpholin-4-yl)-6'-[(oxan-4-yl)oxy][3,3'-bipyridin]-5-yl}-3-(trifluoromethyl)benzamide, Serine/threonine-protein kinase B-raf
Authors:Mamo, M, Appleton, B.A.
Deposit date:2017-03-27
Release date:2017-06-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Design and Discovery of N-(2-Methyl-5'-morpholino-6'-((tetrahydro-2H-pyran-4-yl)oxy)-[3,3'-bipyridin]-5-yl)-3-(trifluoromethyl)benzamide (RAF709): A Potent, Selective, and Efficacious RAF Inhibitor Targeting RAS Mutant Cancers.
J. Med. Chem., 60, 2017
8HOG
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BU of 8hog by Molmil
Crystal structure of Bcl-2 in complex with sonrotoclax
Descriptor: Apoptosis regulator Bcl-2, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
Authors:Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y.
Deposit date:2022-12-10
Release date:2024-01-17
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy.
Blood, 143, 2024
8HOH
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BU of 8hoh by Molmil
Crystal structure of Bcl-2 G101V in complex with sonrotoclax
Descriptor: Apoptosis regulator Bcl-2, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
Authors:Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y.
Deposit date:2022-12-10
Release date:2024-01-17
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy.
Blood, 143, 2024
8HOI
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BU of 8hoi by Molmil
Crystal structure of Bcl-2 D103Y in complex with sonrotoclax
Descriptor: Apoptosis regulator Bcl-2, FORMIC ACID, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
Authors:Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y.
Deposit date:2022-12-10
Release date:2024-01-17
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy.
Blood, 143, 2024
8X5D
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BU of 8x5d by Molmil
The cryo-EM structure of the Mycobacterium tuberculosis CRISPR-Csm complex
Descriptor: CRISPR system Cms endoribonuclease Csm3, CRISPR system Cms protein Csm5, Csm2, ...
Authors:Liu, M.X, Li, Z.K.
Deposit date:2023-11-17
Release date:2024-03-06
Last modified:2024-07-31
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Type-III-A structure of mycobacteria CRISPR-Csm complexes involving atypical crRNAs.
Int.J.Biol.Macromol., 260, 2024
2M5H
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BU of 2m5h by Molmil
NMR structure note: solution structure of monomeric human FAM96A
Descriptor: MIP18 family protein FAM96A
Authors:Ouyang, B, Xia, B.
Deposit date:2013-02-25
Release date:2013-09-25
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structure of monomeric human FAM96A
J.Biomol.Nmr, 56, 2013
3PL9
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BU of 3pl9 by Molmil
Crystal structure of spinach minor light-harvesting complex CP29 at 2.80 angstrom resolution
Descriptor: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
Authors:Pan, X.W, Li, M, Wan, T, Wang, L.F, Jia, C.J, Hou, Z.Q, Zhao, X.L, Zhang, J.P, Chang, W.R.
Deposit date:2010-11-14
Release date:2011-02-09
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insights into energy regulation of light-harvesting complex CP29 from spinach.
Nat.Struct.Mol.Biol., 18, 2011
7M3I
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BU of 7m3i by Molmil
Structure of SARS-CoV-2 spike protein receptor binding domain in complex with a neutralizing antibody, CV2-75 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CV2-75 Fab Heavy chain, CV2-75 Fab Light chain, ...
Authors:Hurlburt, N.K, Pancera, M.
Deposit date:2021-03-18
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Isolation and characterization of cross-neutralizing coronavirus antibodies from COVID-19+ subjects.
Cell Rep, 36, 2021
4K25
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BU of 4k25 by Molmil
Crystal Structure of yeast Qri7 homodimer
Descriptor: CALCIUM ION, Probable tRNA threonylcarbamoyladenosine biosynthesis protein QRI7, mitochondrial, ...
Authors:Neculai, D, Wan, L, Mao, D.Y, Sicheri, F.
Deposit date:2013-04-08
Release date:2013-05-08
Last modified:2013-08-07
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Reconstitution and characterization of eukaryotic N6-threonylcarbamoylation of tRNA using a minimal enzyme system.
Nucleic Acids Res., 41, 2013
7CGN
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BU of 7cgn by Molmil
The overall structure of the MlaFEDB complex in ATP-bound EQtall conformation (Mutation of E170Q on MlaF)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Lipid asymmetry maintenance ABC transporter permease subunit MlaE, Lipid asymmetry maintenance protein MlaB, ...
Authors:Chi, X.M, Fan, Q.X, Zhang, Y.Y, Liang, K, Zhou, Q, Li, Y.Y.
Deposit date:2020-07-01
Release date:2020-09-09
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Structural mechanism of phospholipids translocation by MlaFEDB complex.
Cell Res., 30, 2020

224572

数据于2024-09-04公开中

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