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8T89
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Racemic mixture of amyloid beta segment 16-KLVFFA-21 forms heterochiral rippled beta-sheet
Descriptor: Racemic mixture of amyloid beta segment 16-KLVFFA-21, trifluoroacetic acid
Authors:Sawaya, M.R, Raskatov, J.A, Hazari, A.
Deposit date:2023-06-22
Release date:2023-11-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Racemic Peptides from Amyloid beta and Amylin Form Rippled beta-Sheets Rather Than Pleated beta-Sheets.
J.Am.Chem.Soc., 145, 2023
8T86
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Racemic mixture of amylin segment 25-AILSS-29 forms heterochiral rippled beta-sheet
Descriptor: Racemic mixture of amylin segment 25-AILSS-29
Authors:Sawaya, M.R, Raskatov, J.A, Hazari, A, Sajimon, M.
Deposit date:2023-06-21
Release date:2023-11-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.102 Å)
Cite:Racemic Peptides from Amyloid beta and Amylin Form Rippled beta-Sheets Rather Than Pleated beta-Sheets.
J.Am.Chem.Soc., 145, 2023
8T85
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Structure of RssB bound to beryllofluoride
Descriptor: BERYLLIUM TRIFLUORIDE ION, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Brugger, C, Schwartz, J, Deaconescu, A.M.
Deposit date:2023-06-21
Release date:2024-01-17
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Structure of phosphorylated-like RssB, the adaptor delivering sigma s to the ClpXP proteolytic machinery, reveals an interface switch for activation.
J.Biol.Chem., 299, 2023
8T84
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BU of 8t84 by Molmil
Racemic mixture of amyloid beta segment 35-MVGGVV-40 forms heterochiral rippled beta-sheet, includes hexafluoroisopropanol
Descriptor: 1,1,1,3,3,3-hexafluoropropan-2-ol, Racemic mixture of amyloid beta segment 35-MVGGVV-40
Authors:Sawaya, M.R, Raskatov, J.A, Hazari, A.
Deposit date:2023-06-21
Release date:2023-11-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.101 Å)
Cite:Racemic Peptides from Amyloid beta and Amylin Form Rippled beta-Sheets Rather Than Pleated beta-Sheets.
J.Am.Chem.Soc., 145, 2023
8T83
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BU of 8t83 by Molmil
X-ray crystal structure of PfA-M1(M462K)
Descriptor: Aminopeptidase N, GLYCEROL, ZINC ION
Authors:Yang, W, Drinkwater, N, Webb, C.T, McGowan, S.
Deposit date:2023-06-21
Release date:2024-06-26
Method:X-RAY DIFFRACTION (2 Å)
Cite:Conformational dynamics of the Plasmodium falciparum M1 aminopeptidase.
To Be Published
8T82
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BU of 8t82 by Molmil
Racemic mixture of amyloid beta segment 35-MVGGVV-40 forms heterochiral rippled beta-sheet, includes pentafluoropropionic acid
Descriptor: amyloid beta segment 35-MVGGVV-40, racemic mixture, pentafluoropropanoic acid
Authors:Sawaya, M.R, Raskatov, J.A, Hazari, A.
Deposit date:2023-06-21
Release date:2023-11-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Racemic Peptides from Amyloid beta and Amylin Form Rippled beta-Sheets Rather Than Pleated beta-Sheets.
J.Am.Chem.Soc., 145, 2023
8T81
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BU of 8t81 by Molmil
Influenza PAN endonuclease E23K mutant with 6-(4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid
Descriptor: (6M)-3-hydroxy-4-oxo-6-[(4M)-4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, Polymerase acidic protein
Authors:Kohlbrand, A.J, Cohen, S.M.
Deposit date:2023-06-21
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Studies of Inhibitors with Clinically Relevant Influenza Endonuclease Variants.
Biochemistry, 63, 2024
8T80
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Sequence specific (AATT) orientation of Hoechst molecules at two unique minor groove binding sites within a self-assembled 3D DNA lattice (4x5)
Descriptor: 2'-(4-ETHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*GP*AP*GP*AP*AP*TP*TP*CP*CP*TP*GP*AP*CP*GP*AP*CP*AP*AP*TP*TP*A)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*TP*TP*GP*T)-3'), ...
Authors:Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H.
Deposit date:2023-06-21
Release date:2023-12-20
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Site-Specific Arrangement and Structure Determination of Minor Groove Binding Molecules in Self-Assembled Three-Dimensional DNA Crystals.
J.Am.Chem.Soc., 145, 2023
8T7X
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BU of 8t7x by Molmil
Sequence specific (AATT) orientation of DAPI molecules at two unique minor groove binding sites within a self-assembled 3D DNA lattice (4x5)
Descriptor: 6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE, CACODYLATE ION, DNA (5'-D(*GP*AP*GP*AP*AP*TP*TP*CP*CP*TP*GP*AP*CP*GP*AP*CP*AP*AP*TP*TP*A)-3'), ...
Authors:Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H.
Deposit date:2023-06-21
Release date:2023-12-20
Method:X-RAY DIFFRACTION (3.07 Å)
Cite:Site-Specific Arrangement and Structure Determination of Minor Groove Binding Molecules in Self-Assembled Three-Dimensional DNA Crystals.
J.Am.Chem.Soc., 145, 2023
8T7P
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BU of 8t7p by Molmil
X-ray crystal structure of PfA-M1(M462S)
Descriptor: Aminopeptidase N, GLYCEROL, MAGNESIUM ION, ...
Authors:Yang, W, Drinkwater, N, Webb, C.T, McGowan, S.
Deposit date:2023-06-21
Release date:2024-06-26
Method:X-RAY DIFFRACTION (2 Å)
Cite:Conformational dynamics of the Plasmodium falciparum M1 aminopeptidase.
To Be Published
8T7I
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BU of 8t7i by Molmil
Structure of the S1CE variant of Fab F1 (FabS1CE-F1)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, S1CE variant of Fab F1 heavy chain, ...
Authors:Singer, A.U, Bruce, H.A, Enderle, L, Blazer, L, Adams, J.J, Sicheri, F, Sidhu, S.S.
Deposit date:2023-06-20
Release date:2023-11-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Engineered antigen-binding fragments for enhanced crystallization of antibody:antigen complexes.
Protein Sci., 33, 2024
8T7B
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BU of 8t7b by Molmil
Sequence specific (AATT) orientation of netropsin molecules at a unique minor groove binding site (position2) within a self-assembled 3D DNA lattice (4x5)
Descriptor: DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*TP*GP*AP*CP*GP*AP*CP*AP*AP*TP*TP*A)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*TP*TP*G)-3'), DNA (5'-D(P*AP*GP*GP*TP*CP*TP*GP*C)-3'), ...
Authors:Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H.
Deposit date:2023-06-20
Release date:2023-12-20
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Site-Specific Arrangement and Structure Determination of Minor Groove Binding Molecules in Self-Assembled Three-Dimensional DNA Crystals.
J.Am.Chem.Soc., 145, 2023
8T70
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BU of 8t70 by Molmil
Cryptococcus neoformans protein farnesyltransferase in complex with FPTII and TKCMIIM peptide
Descriptor: (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, 1,2-ETHANEDIOL, MET-ILE-ILE-MET, ...
Authors:Wang, Y, Beese, L.S.
Deposit date:2023-06-19
Release date:2023-08-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.892 Å)
Cite:Cryptococcus neoformans protein farnesyltransferase in complex with FPTII and TKCMIIM peptide
To Be Published
8T6Z
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BU of 8t6z by Molmil
Influenza PAN endonuclease I38T mutant with 6-(4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid
Descriptor: (6M)-3-hydroxy-4-oxo-6-[(4M)-4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, Polymerase acidic protein
Authors:Kohlbrand, A.J, Cohen, S.M.
Deposit date:2023-06-19
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structural Studies of Inhibitors with Clinically Relevant Influenza Endonuclease Variants.
Biochemistry, 63, 2024
8T6I
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BU of 8t6i by Molmil
Structure of VHH-Fab complex with engineered Crystal Kappa region
Descriptor: Fab heavy chain, Fab light chain, GLYCEROL, ...
Authors:Filippova, E.V, Thompson, I, Kossiakoff, A.A.
Deposit date:2023-06-16
Release date:2023-11-29
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Engineered antigen-binding fragments for enhanced crystallization of antibody:antigen complexes.
Protein Sci., 33, 2024
8T6H
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BU of 8t6h by Molmil
X-ray crystal structure of PfA-M1(E319A)
Descriptor: Aminopeptidase N, GLYCEROL, MAGNESIUM ION, ...
Authors:Webb, C.T, McGowan, S.
Deposit date:2023-06-16
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.981 Å)
Cite:Conformational dynamics of the Plasmodium falciparum M1 aminopeptidase.
To Be Published
8T6B
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BU of 8t6b by Molmil
Human VMAT2 in complex with serotonin
Descriptor: SEROTONIN, Synaptic vesicular amine transporter
Authors:Pidathala, S, Dai, Y, Lee, C.H.
Deposit date:2023-06-15
Release date:2023-11-01
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (3.72 Å)
Cite:Mechanisms of neurotransmitter transport and drug inhibition in human VMAT2.
Nature, 623, 2023
8T6A
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BU of 8t6a by Molmil
Human VMAT2 in complex with reserpine
Descriptor: Synaptic vesicular amine transporter, reserpine
Authors:Pidathala, S, Dai, Y, Lee, C.H.
Deposit date:2023-06-15
Release date:2023-11-01
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (3.17 Å)
Cite:Mechanisms of neurotransmitter transport and drug inhibition in human VMAT2.
Nature, 623, 2023
8T69
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BU of 8t69 by Molmil
Human VMAT2 in complex with tetrabenazine
Descriptor: Synaptic vesicular amine transporter, tetrabenazine
Authors:Pidathala, S, Dai, Y, Lee, C.H.
Deposit date:2023-06-15
Release date:2023-11-01
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Mechanisms of neurotransmitter transport and drug inhibition in human VMAT2.
Nature, 623, 2023
8T63
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BU of 8t63 by Molmil
Solution NMR structure of designed peptide PH1 (WHMWNTVPNAKQVIAA)
Descriptor: Designed peptide PH1
Authors:McShan, A.C, Torres, M.P.
Deposit date:2023-06-15
Release date:2023-06-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Generative beta-hairpin design using a residue-based physicochemical property landscape.
Biophys.J., 2024
8T62
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BU of 8t62 by Molmil
Solution NMR structure of designed peptide BH21 (TMIEDPEAGHFHTSSA)
Descriptor: Designed peptide BH21
Authors:McShan, A.C, Torres, M.P.
Deposit date:2023-06-15
Release date:2023-06-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Generative beta-hairpin design using a residue-based physicochemical property landscape.
Biophys.J., 2024
8T61
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BU of 8t61 by Molmil
Solution NMR structure of designed peptide BH33 (RHYYKFNSTGRHYHYY)
Descriptor: Designed peptide BH33
Authors:McShan, A.C, Torres, M.P.
Deposit date:2023-06-15
Release date:2023-06-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Generative beta-hairpin design using a residue-based physicochemical property landscape.
Biophys.J., 2024
8T5W
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BU of 8t5w by Molmil
Influenza PAN endonuclease I38T mutant with Baloxavir
Descriptor: Baloxavir acid, MANGANESE (II) ION, Polymerase acidic protein
Authors:Kohlbrand, A.J, Cohen, S.M.
Deposit date:2023-06-14
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural Studies of Inhibitors with Clinically Relevant Influenza Endonuclease Variants.
Biochemistry, 63, 2024
8T5Q
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BU of 8t5q by Molmil
SARS-CoV-2 ORF3a peptide in complex with TRAF2 TRAF domain
Descriptor: DI(HYDROXYETHYL)ETHER, ORF3a protein, TETRAETHYLENE GLYCOL, ...
Authors:Busscher, B.M, Xiao, T.S.
Deposit date:2023-06-14
Release date:2023-11-29
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:SARS-CoV-2 ORF3a-Mediated NF-kappa B Activation Is Not Dependent on TRAF-Binding Sequence.
Viruses, 15, 2023
8T5P
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BU of 8t5p by Molmil
SARS-CoV-2 ORF3a peptide in complex with TRAF3 TRAF domain
Descriptor: ORF3a protein, TNF receptor-associated factor 3
Authors:Busscher, B.M, Xiao, T.S.
Deposit date:2023-06-14
Release date:2023-11-29
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:SARS-CoV-2 ORF3a-Mediated NF-kappa B Activation Is Not Dependent on TRAF-Binding Sequence.
Viruses, 15, 2023

222415

건을2024-07-10부터공개중

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