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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
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
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
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
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
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
7Y4I
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BU of 7y4i by Molmil
Crystal structure of SPINDLY in complex with GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Probable UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase SPINDLY
Authors:Xu, S.T, Wan, L.H.
Deposit date:2022-06-14
Release date:2022-12-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural insights into mechanism and specificity of the plant protein O-fucosyltransferase SPINDLY.
Nat Commun, 13, 2022
7VCF
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BU of 7vcf by Molmil
Cryo-EM structure of Chlamydomonas TOC-TIC supercomplex
Descriptor: 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, INOSITOL HEXAKISPHOSPHATE, MAGNESIUM ION, ...
Authors:Wu, J, Yan, Z, Jin, Z, Zhang, Y.
Deposit date:2021-09-02
Release date:2022-11-30
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Structure of a TOC-TIC supercomplex spanning two chloroplast envelope membranes.
Cell, 185, 2022
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
7MDY
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BU of 7mdy by Molmil
LolCDE nucleotide-bound
Descriptor: ADP ORTHOVANADATE, Lipo-releasing system transmembrane protein lolC, Lipoprotein transporter subunit LolE, ...
Authors:Sharma, S, Liao, M.
Deposit date:2021-04-06
Release date:2021-08-11
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Mechanism of LolCDE as a molecular extruder of bacterial triacylated lipoproteins
Nat Commun, 12, 2021
7MDX
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BU of 7mdx by Molmil
LolCDE nucleotide-free
Descriptor: (2R)-2-(tridecanoyloxy)propyl hexadecanoate, Lipoprotein-releasing system ATP-binding protein LolD, Lipoprotein-releasing system transmembrane protein LolC, ...
Authors:Sharma, S, Liao, M.
Deposit date:2021-04-06
Release date:2021-08-11
Last modified:2024-04-17
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Mechanism of LolCDE as a molecular extruder of bacterial triacylated lipoproteins
Nat Commun, 12, 2021
2K8Y
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BU of 2k8y by Molmil
Solution NMR Structure of Cgi121 from Methanococcus jannaschii. Northeast Structural Genomics Consortium Target MJ0187
Descriptor: Uncharacterized protein MJ0187
Authors:Rumpel, S, Fares, C, Neculai, D, Arrowsmith, C, Montelione, G.T, Sicheri, F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-09-25
Release date:2008-11-04
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Atomic structure of the KEOPS complex: an ancient protein kinase-containing molecular machine.
Mol.Cell, 32, 2008
5GHE
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BU of 5ghe by Molmil
Crystal Structure of Bacillus thuringiensis Cry6Aa2 Protoxin
Descriptor: Pesticidal crystal protein Cry6Aa
Authors:Huang, J, Guan, Z, Zou, T, Sun, M, Yin, P.
Deposit date:2016-06-19
Release date:2016-08-03
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Crystal structure of Cry6Aa: A novel nematicidal ClyA-type alpha-pore-forming toxin from Bacillus thuringiensis
Biochem.Biophys.Res.Commun., 478, 2016
5HJC
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BU of 5hjc by Molmil
BRD3 second bromodomain in complex with histone H3 acetylation at K18
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 3, CHLORIDE ION, ...
Authors:Li, Y.Y, Zhao, D, Guan, H.P, Li, H.T.
Deposit date:2016-01-13
Release date:2016-04-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Molecular Coupling of Histone Crotonylation and Active Transcription by AF9 YEATS Domain
Mol.Cell, 62, 2016
5HJB
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BU of 5hjb by Molmil
AF9 YEATS in complex with histone H3 Crotonylation at K9
Descriptor: Protein AF-9, peptide of Histone H3.1
Authors:Li, Y.Y, Zhao, D, Guan, H.P, Li, H.T.
Deposit date:2016-01-12
Release date:2016-04-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular Coupling of Histone Crotonylation and Active Transcription by AF9 YEATS Domain
Mol.Cell, 62, 2016
5HJD
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BU of 5hjd by Molmil
AF9 YEATS in complex with histone H3 Crotonylation at K18
Descriptor: COPPER (II) ION, Protein AF-9, SULFATE ION, ...
Authors:Li, Y.Y, Zhao, D, Guan, H.P, Li, H.T.
Deposit date:2016-01-13
Release date:2016-04-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.806 Å)
Cite:Molecular Coupling of Histone Crotonylation and Active Transcription by AF9 YEATS Domain.
Mol.Cell, 62, 2016
3ENO
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BU of 3eno by Molmil
Crystal structure of Pyrococcus furiosus Pcc1 in complex with Thermoplasma acidophilum Kae1
Descriptor: MAGNESIUM ION, Putative O-sialoglycoprotein endopeptidase, uncharacterized protein PF2011
Authors:Neculai, D.
Deposit date:2008-09-25
Release date:2008-10-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.0201 Å)
Cite:Atomic structure of the KEOPS complex: an ancient protein kinase-containing molecular machine.
Mol.Cell, 32, 2008
3EN9
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BU of 3en9 by Molmil
Structure of the Methanococcus jannaschii KAE1-BUD32 fusion protein
Descriptor: HEXATANTALUM DODECABROMIDE, MAGNESIUM ION, O-sialoglycoprotein endopeptidase/protein kinase
Authors:Neculai, D.
Deposit date:2008-09-25
Release date:2008-11-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Atomic structure of the KEOPS complex: an ancient protein kinase-containing molecular machine.
Mol.Cell, 32, 2008
3ENH
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BU of 3enh by Molmil
Crystal structure of Cgi121/Bud32/Kae1 complex
Descriptor: HEXATANTALUM DODECABROMIDE, Putative O-sialoglycoprotein endopeptidase, Uncharacterized protein MJ0187
Authors:Neculai, D.
Deposit date:2008-09-25
Release date:2008-10-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Atomic Structure of the KEOPS Complex: An Ancient Protein Kinase-Containing Molecular Machine
Mol.Cell, 32, 2008
3ENP
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BU of 3enp by Molmil
Crystal structure of human cgi121
Descriptor: TP53RK-binding protein
Authors:Haffani, Y.Z, Ceccarelli, D.F, Neculai, D, Mao, D.Y, Sicheri, F.
Deposit date:2008-09-25
Release date:2008-11-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Atomic structure of the KEOPS complex: an ancient protein kinase-containing molecular machine.
Mol.Cell, 32, 2008
7KNW
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BU of 7knw by Molmil
Crystal structure of SND1 in complex with C-26-A2
Descriptor: 5-chloro-2-methoxy-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)benzene-1-sulfonamide, GLYCEROL, Staphylococcal nuclease domain-containing protein 1
Authors:Kang, Y.
Deposit date:2020-11-06
Release date:2021-12-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Small-molecule inhibitors that disrupt the MTDH-SND1 complex suppress breast cancer progression and metastasis.
Nat Cancer, 3, 2022
7KNX
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BU of 7knx by Molmil
Crystal structure of SND1 in complex with C-26-A6
Descriptor: 5-chloro-2-methoxy-N-(2-methyl[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzene-1-sulfonamide, GLYCEROL, Staphylococcal nuclease domain-containing protein 1, ...
Authors:Kang, Y.
Deposit date:2020-11-06
Release date:2021-12-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Small-molecule inhibitors that disrupt the MTDH-SND1 complex suppress breast cancer progression and metastasis.
Nat Cancer, 3, 2022
3ENC
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BU of 3enc by Molmil
Crystal structure of Pyrococcus furiosus PCC1 dimer
Descriptor: protein PCC1
Authors:Neculai, D.
Deposit date:2008-09-25
Release date:2008-10-28
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.6304 Å)
Cite:Atomic structure of the KEOPS complex: an ancient protein kinase-containing molecular machine.
Mol.Cell, 32, 2008
7E74
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BU of 7e74 by Molmil
Crystal structure of ENL YEATS domain T3 mutant in complex with histone H3 acetylation at K27
Descriptor: ALA-ALA-ARG-ALY, Protein ENL
Authors:Li, Y, Li, H.
Deposit date:2021-02-25
Release date:2021-07-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Hotspot mutations in the structured ENL YEATS domain link aberrant transcriptional condensates and cancer.
Mol.Cell, 82, 2022
5YYF
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BU of 5yyf by Molmil
Crystal structure of AF9 YEATS domain in complex with a peptide inhibitor "PHQ-H3(Q5-K9)" modified at K9 with 2-furancarboyl group
Descriptor: 2-FUROIC ACID, Peptide inhibitor PHQ-H3(Q5-K9), Protein AF-9, ...
Authors:Li, Y, Li, H.
Deposit date:2017-12-09
Release date:2018-11-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.903 Å)
Cite:Structure-guided development of YEATS domain inhibitors by targeting pi-pi-pi stacking.
Nat. Chem. Biol., 14, 2018

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