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2JNU
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BU of 2jnu by Molmil
Solution structure of the RGS domain of human RGS14
Descriptor: Regulator of G-protein signaling 14
Authors:Dowler, E.F, Diehl, A, Bray, J, Elkins, J, Soundararajan, M, Doyle, D.A, Gileadi, C, Phillips, C, Schoch, G.A, Yang, X, Brockmann, C, Leidert, M, Rehbein, K, Schmieder, P, Kuhne, R, Higman, V.A, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, Oschkinat, H, Ball, L.J, Structural Genomics Consortium (SGC)
Deposit date:2007-02-02
Release date:2007-02-27
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits.
Proc.Natl.Acad.Sci.Usa, 105, 2008
7TAO
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BU of 7tao by Molmil
Cryo-EM structure of bafilomycin A1 bound to yeast VO V-ATPase
Descriptor: (5R)-2,4-dideoxy-1-C-{(2S,3R,4S)-3-hydroxy-4-[(2R,3S,4E,6E,9R,10S,11R,12E,14Z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl}-4-methyl-5-propan-2-yl-alpha-D-threo-pentopyranose, V-type proton ATPase subunit a, vacuolar isoform, ...
Authors:Keon, K.A, Rubinstein, J.L, Benlekbir, S, Kirsch, S.H, Muller, R.
Deposit date:2021-12-21
Release date:2022-02-23
Last modified:2022-03-30
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM of the Yeast V O Complex Reveals Distinct Binding Sites for Macrolide V-ATPase Inhibitors.
Acs Chem.Biol., 17, 2022
7OH4
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Cryo-EM structure of Drs2p-Cdc50p in the E1 state with PI4P and Mg2+ bound
Descriptor: (2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Timcenko, M, Dieudonne, T, Montigny, C, Boesen, T, Lyons, J.A, Lenoir, G, Nissen, P.
Deposit date:2021-05-09
Release date:2021-06-09
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis of substrate-independent phosphorylation in a P4-ATPase lipid flippase
J.Mol.Biol., 2021
7OH7
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BU of 7oh7 by Molmil
Cryo-EM structure of Drs2p-Cdc50p in the E1-AMPPCP state with PI4P bound
Descriptor: (2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cell division control protein 50, ...
Authors:Timcenko, M, Dieudonne, T, Montigny, C, Boesen, T, Lyons, J.A, Lenoir, G, Nissen, P.
Deposit date:2021-05-09
Release date:2021-06-09
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural basis of substrate-independent phosphorylation in a P4-ATPase lipid flippase
J.Mol.Biol., 2021
7OH6
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Cryo-EM structure of Drs2p-Cdc50p in the [PS]E2-AlFx state
Descriptor: (2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Timcenko, M, Dieudonne, T, Montigny, C, Boesen, T, Lyons, J.A, Lenoir, G, Nissen, P.
Deposit date:2021-05-09
Release date:2021-06-09
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis of substrate-independent phosphorylation in a P4-ATPase lipid flippase
J.Mol.Biol., 2021
7OH5
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BU of 7oh5 by Molmil
Cryo-EM structure of Drs2p-Cdc50p in the E1-AlFx-ADP state
Descriptor: (2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Timcenko, M, Dieudonne, T, Montigny, C, Boesen, T, Lyons, J.A, Lenoir, G, Nissen, P.
Deposit date:2021-05-09
Release date:2021-06-09
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural basis of substrate-independent phosphorylation in a P4-ATPase lipid flippase
J.Mol.Biol., 2021
1AY6
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BU of 1ay6 by Molmil
THROMBIN INHIBITOR FROM THEONALLA, CYCLOTHEANAMIDE-BASED MACROCYCLIC TRIPEPTIDE MOTIF
Descriptor: HIRUGEN, THROMBIN HEAVY CHAIN, THROMBIN LIGHT CHAIN, ...
Authors:Ganesh, V, Maryanoff, B.E, Tulinsky, A.
Deposit date:1997-11-14
Release date:1998-03-18
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Novel thrombin inhibitors that are based on a macrocyclic tripeptide motif
Bioorg.Med.Chem.Lett., 6, 1996
8VPT
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BU of 8vpt by Molmil
UIC-14-BPE extension of UIC-1
Descriptor: ACETONITRILE, UIC-14-BPE
Authors:Ganatra, P.
Deposit date:2024-01-16
Release date:2024-08-07
Method:X-RAY DIFFRACTION (0.94 Å)
Cite:Diverse Proteomimetic Frameworks via Rational Design of pi-Stacking Peptide Tectons
To Be Published
4U50
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BU of 4u50 by Molmil
Crystal structure of Verrucarin bound to the yeast 80S ribosome
Descriptor: (4S,5R,10E,12Z,16R,16aS,17S,18R,19aR,23aR)-4-hydroxy-5,16a,21-trimethyl-4,5,6,7,16,16a,22,23-octahydro-3H,18H,19aH-spiro[16,18-methano[1,6,12]trioxacyclooctadecino[3,4-d]chromene-17,2'-oxirane]-3,9,14-trione, 18S ribosomal RNA, 25S ribosomal RNA, ...
Authors:Garreau de Loubresse, N, Prokhorova, I, Yusupova, G, Yusupov, M.
Deposit date:2014-07-24
Release date:2014-10-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis for the inhibition of the eukaryotic ribosome.
Nature, 513, 2014
6VP0
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BU of 6vp0 by Molmil
Human Diacylglycerol Acyltransferase 1 in complex with oleoyl-CoA
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Diacylglycerol O-acyltransferase 1, Lauryl Maltose Neopentyl Glycol, ...
Authors:Wang, L, Qian, H, Han, Y, Nian, Y, Ren, Z, Zhang, H, Hu, L, Prasad, B.V.V, Yan, N, Zhou, M.
Deposit date:2020-02-01
Release date:2020-05-13
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structure and mechanism of human diacylglycerol O-acyltransferase 1.
Nature, 581, 2020
6VM2
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BU of 6vm2 by Molmil
Full length Glycine receptor reconstituted in lipid nanodisc in Gly/IVM-conformation (State-2)
Descriptor: (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, ...
Authors:Kumar, A, Basak, S, Chakrapani, S.
Deposit date:2020-01-27
Release date:2020-07-29
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.34 Å)
Cite:Mechanisms of activation and desensitization of full-length glycine receptor in lipid nanodiscs.
Nat Commun, 11, 2020
4V12
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BU of 4v12 by Molmil
Crystal structure of the MSMEG_6754 dehydratase from Mycobacterium smegmatis
Descriptor: (20S)-2,5,8,11,14,17-HEXAMETHYL-3,6,9,12,15,18-HEXAOXAHENICOSANE-1,20-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAOC LIKE DOMAIN PROTEIN
Authors:Blaise, M.
Deposit date:2014-09-23
Release date:2015-03-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A New Dehydratase Conferring Innate Resistance to Thiacetazone and Intra-Amoebal Survival of Mycobacterium Smegmatis.
Mol.Microbiol., 96, 2015
4V82
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BU of 4v82 by Molmil
Crystal structure of cyanobacterial Photosystem II in complex with terbutryn
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Gabdulkhakov, A, Broser, M, Guskov, A, Kern, J, Glockner, C, Muh, F, Saenger, W, Zouni, A.
Deposit date:2010-11-30
Release date:2014-07-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis of cyanobacterial photosystem II Inhibition by the herbicide terbutryn
J.Biol.Chem., 286, 2011
5BU3
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BU of 5bu3 by Molmil
Crystal Structure of Diels-Alderase PyrI4 in complex with its product
Descriptor: (4S,4aS,6aS,8R,9R,10aR,13R,14aS,18aR,18bR)-9-ethyl-4,8,19-trihydroxy-10a,12,13,18a-tetramethyl-2,3,4,4a,5,6,6a,7,8,9,10,10a,13,14,18a,18b-hexadecahydro-1H-14a,17-(metheno)benzo[b]naphtho[2,1-h]azacyclododecine-16,18(15H,17H)-dione, GLYCEROL, PyrI4
Authors:Pan, L, Guo, Y, Liu, J.
Deposit date:2015-06-03
Release date:2016-02-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.897 Å)
Cite:Enzyme-Dependent [4 + 2] Cycloaddition Depends on Lid-like Interaction of the N-Terminal Sequence with the Catalytic Core in PyrI4
Cell Chem Biol, 23, 2016
6FIV
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BU of 6fiv by Molmil
STRUCTURAL STUDIES OF HIV AND FIV PROTEASES COMPLEXED WITH AN EFFICIENT INHIBITOR OF FIV PR
Descriptor: RETROPEPSIN, SULFATE ION, benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate
Authors:Li, M, Lee, T, Morris, G, Laco, G, Wong, C, Olson, A, Elder, J, Wlodawer, A, Gustchina, A.
Deposit date:1998-12-02
Release date:1998-12-09
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural studies of FIV and HIV-1 proteases complexed with an efficient inhibitor of FIV protease
Proteins, 38, 2000
6FFN
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BU of 6ffn by Molmil
Structure-based design and synthesis of macrocyclic human rhinovirus 3C protease inhibitors
Descriptor: 3C protease, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Wiesmann, C, Farady, C.
Deposit date:2018-01-08
Release date:2018-02-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure-based design and synthesis of macrocyclic human rhinovirus 3C protease inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
5BMF
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BU of 5bmf by Molmil
Crystal Structure of a Theophylline binding antibody Fab fragment
Descriptor: 2-(5-{1-[1-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-4,15-dioxo-8,11-dioxa-5,14-diazaicosan-20-yl]-3,3-dimethyl-6-sulfo-1,3-dihydro-2H-indol-2-ylidene}penta-1,3-dien-1-yl)-1-ethyl-3,3-dimethyl-3H-indolium-5-sulfonate, Fab fragment heavy chain, Fab fragment light chain
Authors:Bujotzek, A, Fuchs, A, Changtao, Q, Klostermann, S, Benz, J, Antes, I, Dengl, S, Hoffmann, E, Georges, G.
Deposit date:2015-05-22
Release date:2015-07-29
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:MoFvAb: Modeling the Fv region of antibodies.
Mabs, 7, 2015
7O0W
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BU of 7o0w by Molmil
Cryo-EM structure of the RC-dLH complex (model_1b) from Gemmatimonas phototrophica at 2.47 A
Descriptor: (19R,22S)-25-amino-22-hydroxy-22-oxido-16-oxo-17,21,23-trioxa-22lambda~5~-phosphapentacosan-19-yl (9Z)-hexadec-9-enoate, (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, (2R,5R,11R,14R)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-2,14-bis(tetradecanoyloxy)-4,6,10,12,16-pentaoxa-5,11-diphosphatriacont-1-yl tetradecanoate, ...
Authors:Qian, P, Koblizek, M.
Deposit date:2021-03-27
Release date:2022-03-02
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (2.47 Å)
Cite:2.4- angstrom structure of the double-ring Gemmatimonas phototrophica photosystem.
Sci Adv, 8, 2022
7O0U
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BU of 7o0u by Molmil
Cryo-EM structure (model_1a) of the RC-dLH complex from Gemmatimonas phototrophica at 2.4 A
Descriptor: (19R,22S)-25-amino-22-hydroxy-22-oxido-16-oxo-17,21,23-trioxa-22lambda~5~-phosphapentacosan-19-yl (9Z)-hexadec-9-enoate, (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, (2R,5R,11R,14R)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-2,14-bis(tetradecanoyloxy)-4,6,10,12,16-pentaoxa-5,11-diphosphatriacont-1-yl tetradecanoate, ...
Authors:Qian, P, Koblizek, M.
Deposit date:2021-03-27
Release date:2022-03-02
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (2.35 Å)
Cite:2.4- angstrom structure of the double-ring Gemmatimonas phototrophica photosystem.
Sci Adv, 8, 2022
7O0X
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Cryo-EM structure (model_2b) of the RC-dLH complex from Gemmatimonas phototrophica at 2.44 A
Descriptor: (19R,22S)-25-amino-22-hydroxy-22-oxido-16-oxo-17,21,23-trioxa-22lambda~5~-phosphapentacosan-19-yl (9Z)-hexadec-9-enoate, (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, (2R,5R,11R,14R)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-2,14-bis(tetradecanoyloxy)-4,6,10,12,16-pentaoxa-5,11-diphosphatriacont-1-yl tetradecanoate, ...
Authors:Qian, P, Koblizek, M.
Deposit date:2021-03-28
Release date:2022-03-02
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (2.44 Å)
Cite:2.4- angstrom structure of the double-ring Gemmatimonas phototrophica photosystem.
Sci Adv, 8, 2022
7O0V
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BU of 7o0v by Molmil
Cryo-EM structure (model_2a) of the RC-dLH complex from Gemmatimonas phototrophica at 2.5 A
Descriptor: (19R,22S)-25-amino-22-hydroxy-22-oxido-16-oxo-17,21,23-trioxa-22lambda~5~-phosphapentacosan-19-yl (9Z)-hexadec-9-enoate, (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, (2R,5R,11R,14R)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-2,14-bis(tetradecanoyloxy)-4,6,10,12,16-pentaoxa-5,11-diphosphatriacont-1-yl tetradecanoate, ...
Authors:Qian, P, Koblizek, M.
Deposit date:2021-03-27
Release date:2022-03-02
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:2.4- angstrom structure of the double-ring Gemmatimonas phototrophica photosystem.
Sci Adv, 8, 2022
4UYJ
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BU of 4uyj by Molmil
Crystal structure of a Signal Recognition Particle Alu domain in the elongation arrest conformation
Descriptor: SIGNAL RECOGNITION PARTICLE 14 KDA PROTEIN, SIGNAL RECOGNITION PARTICLE 9 KDA PROTEIN, SRP RNA
Authors:Bousset, L, Mary, C, Brooks, M.A, Scherrer, A, Strub, K, Cusack, S.
Deposit date:2014-09-01
Release date:2014-11-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Crystal Structure of a Signal Recognition Particle Alu Domain in the Elongation Arrest Conformation.
RNA, 20, 2014
6VM3
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BU of 6vm3 by Molmil
Full length Glycine receptor reconstituted in lipid nanodisc in Gly/IVM-conformation (State-3)
Descriptor: (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, ...
Authors:Kumar, A, Basak, S, Chakrapani, S.
Deposit date:2020-01-27
Release date:2020-07-29
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.07 Å)
Cite:Mechanisms of activation and desensitization of full-length glycine receptor in lipid nanodiscs.
Nat Commun, 11, 2020
6W1D
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BU of 6w1d by Molmil
Structure of human mitochondrial complex Nfs1-ISCU2 (WT)-ISD11 with E.coli ACP1 at 1.8 A resolution (NIAU)2
Descriptor: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, ...
Authors:Boniecki, M.T, Cygler, M.
Deposit date:2020-03-04
Release date:2020-03-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.795 Å)
Cite:The essential function of ISCU2 and its conserved N-terminus in Fe/S cluster biogenesis
To Be Published
6G9Q
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BU of 6g9q by Molmil
Ternary complex of P14 TCR with murine MHC class I H-2 Db in complex with self-antigen derived from dopamine monooxygenase.
Descriptor: Beta-2-microglobulin, Dopamine beta-hydroxylase, GLYCEROL, ...
Authors:Achour, A, Sandalova, T, Allerbring, E.
Deposit date:2018-04-11
Release date:2019-04-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structural basis for CD8+ T cells auto-reactivity in LCMV infection
to be published

223532

PDB entries from 2024-08-07

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