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PDB: 43087 results

6YOR
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BU of 6yor by Molmil
Structure of the SARS-CoV-2 spike S1 protein in complex with CR3022 Fab
Descriptor: IgG H chain, IgG L chain, Spike glycoprotein
Authors:Huo, J, Zhao, Y, Ren, J, Zhou, D, Duyvesteyn, H.M.E, Carrique, L, Malinauskas, T, Ruza, R.R, Shah, P.N.M, Fry, E.E, Owens, R, Stuart, D.I.
Deposit date:2020-04-15
Release date:2020-04-29
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Neutralization of SARS-CoV-2 by Destruction of the Prefusion Spike.
Cell Host Microbe, 28, 2020
6YE2
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BU of 6ye2 by Molmil
Human Ecto-5'-nucleotidase (CD73) in complex with the AMPCP derivative A1202 (compound 4a in publication) in the closed form (crystal form IV)
Descriptor: 5'-nucleotidase, CALCIUM ION, ZINC ION, ...
Authors:Scaletti, E, Strater, N.
Deposit date:2020-03-23
Release date:2021-01-20
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Discovery of Potent and Selective Methylenephosphonic Acid CD73 Inhibitors.
J.Med.Chem., 64, 2021
6HK0
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BU of 6hk0 by Molmil
X-ray structure of a pentameric ligand gated ion channel from Erwinia chrysanthemi (ELIC) F16'S pore mutant (F247S) with alternate M4 conformation.
Descriptor: Cys-loop ligand-gated ion channel, DODECYL-BETA-D-MALTOSIDE
Authors:Nury, H, Spurny, R, Govaerts, C, Evans, G.L, Pardon, E, Steyaert, J, Ulens, C.
Deposit date:2018-09-04
Release date:2019-10-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:A lipid site shapes the agonist response of a pentameric ligand-gated ion channel.
Nat.Chem.Biol., 15, 2019
6HCK
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BU of 6hck by Molmil
The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with dipeptide Leu-Leu
Descriptor: LEUCINE, Listeriolysin regulatory protein, SODIUM ION
Authors:Grundstrom, C, Oelker, M, Krypotou, E, Scortti, M, Luisi, B.F, Vazquez-Boland, J, Sauer-Eriksson, A.E.
Deposit date:2018-08-15
Release date:2019-02-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Control of Bacterial Virulence through the Peptide Signature of the Habitat.
Cell Rep, 26, 2019
6HR2
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BU of 6hr2 by Molmil
Crystal structure of PROTAC 2 in complex with the bromodomain of human SMARCA4 and pVHL:ElonginC:ElonginB
Descriptor: (2~{S},4~{R})-~{N}-[[2-[2-[4-[[4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]methyl]phenyl]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
Authors:Roy, M, Bader, G, Diers, E, Trainor, N, Farnaby, W, Ciulli, A.
Deposit date:2018-09-26
Release date:2019-06-12
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:BAF complex vulnerabilities in cancer demonstrated via structure-based PROTAC design.
Nat.Chem.Biol., 15, 2019
4X0P
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BU of 4x0p by Molmil
Ternary complex of human DNA polymerase theta C-terminal domain binding ddATP opposite a tetrahydrofuran AP site analog
Descriptor: 2',3'-dideoxyadenosine triphosphate, CALCIUM ION, DNA (5'-D(*CP*GP*TP*TP*GP*AP*AP*TP*GP*AP*CP*AP*GP*CP*CP*GP*CP*G)-3'), ...
Authors:Zahn, K.E, Doublie, S.
Deposit date:2014-11-21
Release date:2015-03-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.911 Å)
Cite:Human DNA polymerase theta grasps the primer terminus to mediate DNA repair.
Nat.Struct.Mol.Biol., 22, 2015
6QGA
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BU of 6qga by Molmil
Crystal structure of Ideonella sakaiensis MHETase bound to the non-hydrolyzable ligand MHETA
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-hydroxyethylcarbamoyl)benzoic acid, CALCIUM ION, ...
Authors:Palm, G.J, Reisky, L, Boettcher, D, Mueller, H, Michels, E.A.P, Walczak, C, Berndt, L, Weiss, M.S, Bornscheuer, U.T, Weber, G.
Deposit date:2019-01-10
Release date:2019-04-03
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of the plastic-degrading Ideonella sakaiensis MHETase bound to a substrate.
Nat Commun, 10, 2019
6QGB
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BU of 6qgb by Molmil
Crystal structure of Ideonella sakaiensis MHETase bound to benzoic acid
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, BENZOIC ACID, CALCIUM ION, ...
Authors:Palm, G.J, Reisky, L, Boettcher, D, Mueller, H, Michels, E.A.P, Walczak, C, Berndt, L, Weiss, M.S, Bornscheuer, U.T, Weber, G.
Deposit date:2019-01-10
Release date:2019-04-03
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the plastic-degrading Ideonella sakaiensis MHETase bound to a substrate.
Nat Commun, 10, 2019
9CHN
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BU of 9chn by Molmil
P. vulgaris trimeric HigBA- operator 2 DNA
Descriptor: Antitoxin HigA, DNA (5'-D(*GP*TP*AP*TP*TP*AP*CP*AP*CP*AP*CP*CP*AP*TP*GP*TP*AP*AP*TP*AP*C)-3'), DNA (5'-D(*GP*TP*AP*TP*TP*AP*CP*AP*TP*GP*GP*TP*GP*TP*GP*TP*AP*AP*TP*AP*C)-3'), ...
Authors:Pavelich, I.J, Schureck, M.A, Hoffer, E.D, Dunham, C.M.
Deposit date:2024-07-01
Release date:2025-07-02
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:P. vulgaris trimeric HigBA- operator 2 DNA
To Be Published
4YO5
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BU of 4yo5 by Molmil
EAEC T6SS TssA-Cterminus
Descriptor: TssA
Authors:Durand, E, Zoued, A, Spinelli, S, Douzi, B, Brunet, Y.R, Bebeacua, C, Legrand, P, Journet, L, Mignot, T, Cambillau, C, Cascales, E.
Deposit date:2015-03-11
Release date:2016-02-17
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Priming and polymerization of a bacterial contractile tail structure.
Nature, 531, 2016
7ZJ4
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BU of 7zj4 by Molmil
Ligand bound state of a brocolli-pepper aptamer FRET tile
Descriptor: 4-(3,5-difluoro-4-hydroxybenzyl)-1,2-dimethyl-1H-imidazol-5-ol, 4-[(~{Z})-1-cyano-2-[5-[2-hydroxyethyl(methyl)amino]thieno[3,2-b]thiophen-2-yl]ethenyl]benzenecarbonitrile, POTASSIUM ION, ...
Authors:McRae, E.K.S, Vallina, N.S, Hansen, B.K, Boussebayle, A, Andersen, E.S.
Deposit date:2022-04-08
Release date:2023-04-19
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (4.43 Å)
Cite:Structure determination of Pepper-Broccoli FRET pair by RNA origami scaffolding
To Be Published
2NOQ
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BU of 2noq by Molmil
Structure of ribosome-bound cricket paralysis virus IRES RNA
Descriptor: 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S5, ...
Authors:Schuler, M, Connell, S.R, Lescoute, A, Giesebrecht, J, Dabrowski, M, Schroeer, B, Mielke, T, Penczek, P.A, Westhof, E, Spahn, C.M.T.
Deposit date:2006-10-26
Release date:2006-11-21
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (7.3 Å)
Cite:Structure of the ribosome-bound cricket paralysis virus IRES RNA.
Nat.Struct.Mol.Biol., 13, 2006
6F2J
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BU of 6f2j by Molmil
Crystal structure of Hen Egg-White Lysozyme co-crystallized in presence of 100 mM Tb-Xo4 and 100 mM sodium sulfate
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION, ...
Authors:Engilberge, S, Riobe, F, Di Pietro, S, Girard, E, Dumont, E, Maury, O.
Deposit date:2017-11-24
Release date:2018-10-03
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Unveiling the Binding Modes of the Crystallophore, a Terbium-based Nucleating and Phasing Molecular Agent for Protein Crystallography.
Chemistry, 24, 2018
7NPU
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BU of 7npu by Molmil
MycP5-free ESX-5 inner membrane complex, state I
Descriptor: ESX-5 secretion system ATPase EccB5, ESX-5 secretion system protein EccC5, ESX-5 secretion system protein EccD5
Authors:Fahrenkamp, D, Bunduc, C.M, Wald, J, Ummels, R, Bitter, W, Houben, E.N.G, Marlovits, T.C.
Deposit date:2021-02-28
Release date:2021-06-02
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (4.48 Å)
Cite:Structure and dynamics of a mycobacterial type VII secretion system.
Nature, 593, 2021
6EU2
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BU of 6eu2 by Molmil
Apo RNA Polymerase III - open conformation (oPOL3)
Descriptor: DNA-directed RNA polymerase III subunit RPC1, DNA-directed RNA polymerase III subunit RPC10, DNA-directed RNA polymerase III subunit RPC2, ...
Authors:Abascal-Palacios, G, Ramsay, E.P, Beuron, F, Morris, E, Vannini, A.
Deposit date:2017-10-27
Release date:2018-01-17
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis of RNA polymerase III transcription initiation.
Nature, 553, 2018
7NPR
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BU of 7npr by Molmil
Structure of an intact ESX-5 inner membrane complex, Composite C3 model
Descriptor: ESX-5 secretion system ATPase EccB5, ESX-5 secretion system protein EccC5, ESX-5 secretion system protein EccD5, ...
Authors:Fahrenkamp, D, Bunduc, C.M, Wald, J, Ummels, R, Bitter, W, Houben, E.N.G, Marlovits, T.C.
Deposit date:2021-02-28
Release date:2021-06-02
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.82 Å)
Cite:Structure and dynamics of a mycobacterial type VII secretion system.
Nature, 593, 2021
7NPV
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BU of 7npv by Molmil
MycP5-free ESX-5 inner membrane complex, State II
Descriptor: ESX-5 secretion system ATPase EccB5, ESX-5 secretion system protein EccC5, ESX-5 secretion system protein EccD5
Authors:Fahrenkamp, D, Bunduc, C.M, Wald, J, Ummels, R, Bitter, W, Houben, E.N.G, Marlovits, T.C.
Deposit date:2021-02-28
Release date:2021-06-02
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (6.66 Å)
Cite:Structure and dynamics of a mycobacterial type VII secretion system.
Nature, 593, 2021
8FJT
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BU of 8fjt by Molmil
Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and AGF362 inhibitor
Descriptor: GLYCINE, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-3-fluorothiophene-2-carbonyl}-L-glutamic acid, ...
Authors:Katinas, J.M, Dann III, C.E.
Deposit date:2022-12-20
Release date:2023-09-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Structure-Based Design of Transport-Specific Multitargeted One-Carbon Metabolism Inhibitors in Cytosol and Mitochondria.
J.Med.Chem., 66, 2023
7NL2
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BU of 7nl2 by Molmil
Structure of Xyn11 from Pseudothermotoga thermarum
Descriptor: 1-methylethyl 1-thio-beta-D-galactopyranoside, Beta-xylanase, GLYCEROL
Authors:Jimenez-Ortega, E, Sanz-Aparicio, J.
Deposit date:2021-02-22
Release date:2021-06-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Phylogenetic, functional and structural characterization of a GH10 xylanase active at extreme conditions of temperature and alkalinity
Comput Struct Biotechnol J, 19, 2021
6OTS
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BU of 6ots by Molmil
Rat ERK2 E320K
Descriptor: Mitogen-activated protein kinase 1
Authors:Taylor, C.A, Cormier, K.W, Juang, Y.-C, Goldsmith, E.J, Cobb, M.H.
Deposit date:2019-05-03
Release date:2019-07-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Functional divergence caused by mutations in an energetic hotspot in ERK2.
Proc.Natl.Acad.Sci.USA, 116, 2019
8IU0
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BU of 8iu0 by Molmil
Cryo-EM structure of the potassium-selective channelrhodopsin HcKCR1 H225F mutant in lipid nanodisc
Descriptor: (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, HcKCR1, PALMITIC ACID, ...
Authors:Tajima, S, Kim, Y, Nakamura, S, Yamashita, K, Fukuda, M, Deisseroth, K, Kato, H.E.
Deposit date:2023-03-23
Release date:2023-09-06
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (2.66 Å)
Cite:Structural basis for ion selectivity in potassium-selective channelrhodopsins.
Cell, 186, 2023
8FJU
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BU of 8fju by Molmil
Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and AGF347 inhibitor
Descriptor: N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoyl}-L-glutamic acid, Serine hydroxymethyltransferase, ...
Authors:Katinas, J.M, Dann III, C.E.
Deposit date:2022-12-20
Release date:2023-09-06
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Structure-Based Design of Transport-Specific Multitargeted One-Carbon Metabolism Inhibitors in Cytosol and Mitochondria.
J.Med.Chem., 66, 2023
6ZIK
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BU of 6zik by Molmil
bovine ATP synthase rotor domain, state 3
Descriptor: ATP synthase F(0) complex subunit C2, mitochondrial, ATP synthase subunit delta, ...
Authors:Spikes, T, Montgomery, M.G, Walker, J.E.
Deposit date:2020-06-26
Release date:2020-09-09
Last modified:2025-04-09
Method:ELECTRON MICROSCOPY (3.66 Å)
Cite:Structure of the dimeric ATP synthase from bovine mitochondria.
Proc.Natl.Acad.Sci.USA, 117, 2020
6ET9
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BU of 6et9 by Molmil
Structure of the acetoacetyl-CoA-thiolase/HMG-CoA-synthase complex from Methanothermococcus thermolithotrophicus at 2.75 A
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Acetyl-CoA acetyltransferase thiolase, CHLORIDE ION, ...
Authors:Engilberge, S, Voegeli, B, Girard, E, Riobe, F, Maury, O, Erb, T.J, Shima, S, Wagner, T.
Deposit date:2017-10-25
Release date:2018-03-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Archaeal acetoacetyl-CoA thiolase/HMG-CoA synthase complex channels the intermediate via a fused CoA-binding site.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6WPS
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BU of 6wps by Molmil
Structure of the SARS-CoV-2 spike glycoprotein in complex with the S309 neutralizing antibody Fab fragment
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, S309 neutralizing antibody heavy chain, ...
Authors:Pinto, D, Park, Y.J, Beltramello, M, Walls, A.C, Tortorici, M.A, Bianchi, S, Jaconi, S, Culap, K, Zatta, F, De Marco, A, Peter, A, Guarino, B, Spreafico, R, Cameroni, E, Case, J.B, Chen, R.E, Havenar-Daughton, C, Snell, G, Virgin, H.W, Lanzavecchia, A, Diamond, M.S, Fink, K, Veesler, D, Corti, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-04-27
Release date:2020-05-27
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cross-neutralization of SARS-CoV-2 by a human monoclonal SARS-CoV antibody.
Nature, 583, 2020

238582

数据于2025-07-09公开中

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