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8TQ8
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Crystal structure of Fab.34.5.8 in complex with MHC-I (H2-Dd)
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, Fab.34.5.8 Heavy chain, ...
Authors:Jiang, J, Boyd, L.F, Natarajan, K, Margulies, D.H.
Deposit date:2023-08-06
Release date:2024-03-20
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Experimental Structures of Antibody/MHC-I Complexes Reveal Details of Epitopes Overlooked by Computational Prediction.
J Immunol., 212, 2024
8TQ7
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BU of 8tq7 by Molmil
Crystal structure of Fab.34.2.12 in complex with MHC-I (H2-Dd)
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, Fab 34.2.12 Light Chain, ...
Authors:Jiang, J, Boyd, L.F, Natarajan, K, Margulies, D.H.
Deposit date:2023-08-06
Release date:2024-03-20
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Experimental Structures of Antibody/MHC-I Complexes Reveal Details of Epitopes Overlooked by Computational Prediction.
J Immunol., 212, 2024
8TQ0
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Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with (R)-Lipoic Acid
Descriptor: DIHYDROLIPOIC ACID, Hdac6 protein, POTASSIUM ION, ...
Authors:Watson, P.R, Christianson, D.W.
Deposit date:2023-08-06
Release date:2023-09-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of histone deacetylase 6 complexed with (R)-lipoic acid, an essential cofactor in central carbon metabolism.
J.Biol.Chem., 299, 2023
8TPY
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Structure of human hypoxanthine guanine phosphoribzosyltransferase in complex with [2S,4R] 4-Guanin-9-yl-2-hydroxymethyl-1-N-(3-phosphonopropionyl)pyrrolidine
Descriptor: Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, {3-[(2S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl}phosphonic acid
Authors:Guddat, L.W.
Deposit date:2023-08-06
Release date:2024-05-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Development of Prolinol Containing Inhibitors of Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferase: Rational Structure-Based Drug Design.
J.Med.Chem., 67, 2024
8TPV
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Structure of human hypoxanthine guanine phosphoribzosyltransferase in complex with [2S,4R]-4-Guanin-9-yl-2-(2-phosphonoethoxymethyl)-1-N-(3-phosphonopropionyl)pyrrolidine
Descriptor: (3-{(2S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2-phosphonoethoxy)methyl]pyrrolidin-1-yl}-3-oxopropyl)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION
Authors:Guddat, L.W.
Deposit date:2023-08-05
Release date:2024-05-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Development of Prolinol Containing Inhibitors of Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferase: Rational Structure-Based Drug Design.
J.Med.Chem., 67, 2024
8TPT
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nhTMEM16 A444P mutant in lipid nanodiscs with MSP1E3 scaffold protein in the presence of Ca2+ (long TM6/short TM6)
Descriptor: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, CALCIUM ION, Lipid scramblase nhTMEM16
Authors:Feng, Z, Accardi, A.
Deposit date:2023-08-04
Release date:2024-05-08
Method:ELECTRON MICROSCOPY (3.01 Å)
Cite:Structural basis of closed groove scrambling by a TMEM16 protein.
Nat.Struct.Mol.Biol., 2024
8TPS
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nhTMEM16 A444P mutant in lipid nanodiscs with MSP1E3 scaffold protein in the presence of Ca2+ (bent TM6)
Descriptor: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, CALCIUM ION, Lipid scramblase nhTMEM16
Authors:Feng, Z, Accardi, A.
Deposit date:2023-08-04
Release date:2024-05-08
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Structural basis of closed groove scrambling by a TMEM16 protein.
Nat.Struct.Mol.Biol., 2024
8TPR
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nhTMEM16 A444P mutant in lipid nanodiscs with MSP1E3 scaffold protein in the presence of Ca2+ (short TM6)
Descriptor: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, CALCIUM ION, Lipid scramblase nhTMEM16
Authors:Feng, Z, Accardi, A.
Deposit date:2023-08-04
Release date:2024-05-08
Method:ELECTRON MICROSCOPY (2.85 Å)
Cite:Structural basis of closed groove scrambling by a TMEM16 protein.
Nat.Struct.Mol.Biol., 2024
8TPQ
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nhTMEM16 A444P mutant in lipid nanodiscs with MSP1E3 scaffold protein in the presence of Ca2+ (long TM6)
Descriptor: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, CALCIUM ION, Lipid scramblase nhTMEM16
Authors:Feng, Z, Accardi, A.
Deposit date:2023-08-04
Release date:2024-05-08
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:Structural basis of closed groove scrambling by a TMEM16 protein.
Nat.Struct.Mol.Biol., 2024
8TPP
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nhTMEM16 R432A mutant in lipid nanodiscs with MSP2N2 scaffold protein in the presence of Ca2+
Descriptor: CALCIUM ION, Lipid scramblase nhTMEM16
Authors:Feng, Z, Accardi, A.
Deposit date:2023-08-04
Release date:2024-05-08
Method:ELECTRON MICROSCOPY (3.64 Å)
Cite:Structural basis of closed groove scrambling by a TMEM16 protein.
Nat.Struct.Mol.Biol., 2024
8TPO
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BU of 8tpo by Molmil
nhTMEM16 R432A mutant in lipid nanodiscs with MSP1E3 scaffold protein in the presence of Ca2+
Descriptor: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, CALCIUM ION, Lipid scramblase nhTMEM16
Authors:Feng, Z, Accardi, A.
Deposit date:2023-08-04
Release date:2024-05-15
Method:ELECTRON MICROSCOPY (3.59 Å)
Cite:Structural basis of closed groove scrambling by a TMEM16 protein.
Nat.Struct.Mol.Biol., 2024
8TPN
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nhTMEM16 lipid scramblase in lipid nanodiscs with MSP2N2 scaffold protein in the presence of Ca2+ (intermediate state)
Descriptor: CALCIUM ION, Lipid scramblase nhTMEM16
Authors:Feng, Z, Accardi, A.
Deposit date:2023-08-04
Release date:2024-05-08
Method:ELECTRON MICROSCOPY (4.07 Å)
Cite:Structural basis of closed groove scrambling by a TMEM16 protein.
Nat.Struct.Mol.Biol., 2024
8TPM
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nhTMEM16 lipid scramblase in lipid nanodiscs with MSP1E3 scaffold protein in the absence of Ca2+
Descriptor: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, Lipid scramblase nhTMEM16
Authors:Feng, Z, Accardi, A.
Deposit date:2023-08-04
Release date:2024-05-08
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite:Structural basis of closed groove scrambling by a TMEM16 protein.
Nat.Struct.Mol.Biol., 2024
8TPL
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BU of 8tpl by Molmil
ATP-2 state of Bcs1 (unsymmetrized)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Mitochondrial chaperone BCS1
Authors:Zhan, J, Xia, D.
Deposit date:2023-08-04
Release date:2024-06-05
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.46 Å)
Cite:Conformations of Bcs1L undergoing ATP hydrolysis suggest a concerted translocation mechanism for folded iron-sulfur protein substrate.
Nat Commun, 15, 2024
8TPK
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P6522 crystal form of C. crescentus DriD-ssDNA-DNA complex
Descriptor: DNA (5'-D(*AP*TP*AP*CP*GP*AP*CP*AP*GP*TP*AP*AP*CP*TP*GP*TP*CP*GP*TP*AP*T)-3'), DNA (5'-D(*AP*TP*AP*CP*GP*AP*CP*AP*GP*TP*TP*AP*CP*TP*GP*TP*CP*GP*TP*AP*T)-3'), DNA (5'-D(P*GP*TP*C)-3'), ...
Authors:Schumacher, M.A.
Deposit date:2023-08-04
Release date:2023-11-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.46 Å)
Cite:Structure of the WYL-domain containing transcription activator, DriD, in complex with ssDNA effector and DNA target site.
Nucleic Acids Res., 52, 2024
8TPJ
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Top cylinder bound to OCP from high-resolution phycobilisome quenched by OCP (local refinement)
Descriptor: Allophycocyanin alpha chain, Allophycocyanin beta chain, Orange carotenoid-binding protein, ...
Authors:Sauer, P.V, Sutter, M, Cupellini, L.
Deposit date:2023-08-04
Release date:2024-04-17
Method:ELECTRON MICROSCOPY (2.1 Å)
Cite:Structural and quantum chemical basis for OCP-mediated quenching of phycobilisomes.
Sci Adv, 10, 2024
8TPI
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Synthesis, X-Ray Crystallographic and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease
Descriptor: N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-2-hydroxy-2-methylpropanamide, Non-structural protein 7
Authors:Chua, T.K, Song, Y.
Deposit date:2023-08-04
Release date:2024-01-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Design, Synthesis, X-ray Crystallography, and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease.
Acs Infect Dis., 10, 2024
8TPH
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BU of 8tph by Molmil
Synthesis, X-Ray Crystallographic and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease
Descriptor: (3R)-N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-3-hydroxybutanamide, Non-structural protein 7
Authors:Chua, T.K, Song, Y.
Deposit date:2023-08-04
Release date:2024-01-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Design, Synthesis, X-ray Crystallography, and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease.
Acs Infect Dis., 10, 2024
8TPG
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BU of 8tpg by Molmil
Synthesis, X-Ray Crystallographic and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease
Descriptor: (3R)-N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-3-hydroxybutanamide, Non-structural protein 7
Authors:Chua, T.K, Song, Y.
Deposit date:2023-08-04
Release date:2024-01-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.692 Å)
Cite:Design, Synthesis, X-ray Crystallography, and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease.
Acs Infect Dis., 10, 2024
8TPF
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BU of 8tpf by Molmil
Synthesis, X-Ray Crystallographic and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease
Descriptor: N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-3-hydroxypropanamide, Non-structural protein 7
Authors:Chua, T.K, Song, Y.
Deposit date:2023-08-04
Release date:2024-01-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Design, Synthesis, X-ray Crystallography, and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease.
Acs Infect Dis., 10, 2024
8TPE
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BU of 8tpe by Molmil
Synthesis, X-Ray Crystallographic and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease
Descriptor: N-[(1R)-2-(benzylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)-3-hydroxypropanamide, Non-structural protein 7
Authors:Chua, T.K, Song, Y.
Deposit date:2023-08-04
Release date:2024-01-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Design, Synthesis, X-ray Crystallography, and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease.
Acs Infect Dis., 10, 2024
8TPD
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Synthesis, X-Ray Crystallographic and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease
Descriptor: 3C-like proteinase nsp5, N-[(1R)-2-(benzylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-[3-(2-chloroacetamido)phenyl]furan-2-carboxamide
Authors:Chua, T.K, Song, Y.
Deposit date:2023-08-04
Release date:2024-01-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Design, Synthesis, X-ray Crystallography, and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease.
Acs Infect Dis., 10, 2024
8TPC
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BU of 8tpc by Molmil
Synthesis, X-Ray Crystallographic and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease
Descriptor: N-[(1R)-2-(benzylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-[4-(2-chloroacetamido)phenyl]furan-2-carboxamide, Non-structural protein 7
Authors:Chua, T.K, Song, Y.
Deposit date:2023-08-04
Release date:2024-01-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Design, Synthesis, X-ray Crystallography, and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease.
Acs Infect Dis., 10, 2024
8TPB
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BU of 8tpb by Molmil
Synthesis, X-Ray Crystallographic and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease
Descriptor: N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)-2-chloroacetamide, Non-structural protein 7
Authors:Chua, T.K, Song, Y.
Deposit date:2023-08-04
Release date:2024-01-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Design, Synthesis, X-ray Crystallography, and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease.
Acs Infect Dis., 10, 2024
8TPA
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H1 hemagglutinin (NC99) in complex with medial-junction-targeting Fab 2-2-1G06
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 Fab 2-2-1G06, ...
Authors:Yang, Y.R, Han, J, Perrett, H.R, Ward, A.B.
Deposit date:2023-08-04
Release date:2023-10-11
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Immune memory shapes human polyclonal antibody responses to H2N2 vaccination.
Biorxiv, 2023

221716

數據於2024-06-26公開中

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