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8D80
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BU of 8d80 by Molmil
Cereblon~DDB1 bound to Iberdomide and Ikaros ZF1-2-3
Descriptor: (3S)-3-[4-({4-[(morpholin-4-yl)methyl]phenyl}methoxy)-1-oxo-1,3-dihydro-2H-isoindol-2-yl]piperidine-2,6-dione, DNA damage-binding protein 1, DNA-binding protein Ikaros, ...
Authors:Watson, E.R, Lander, G.C.
Deposit date:2022-06-07
Release date:2022-07-20
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Molecular glue CELMoD compounds are regulators of cereblon conformation.
Science, 378, 2022
6P58
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BU of 6p58 by Molmil
Dark and Steady State-Illuminated Crystal Structure of Cyanobacteriochrome Receptor PixJ at 150K
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, Methyl-accepting chemotaxis protein, ...
Authors:Clinger, J.A, Miller, M.D, Buirgie, E.S, Vierstra, R.D, Phillips Jr, G.N.
Deposit date:2019-05-29
Release date:2019-12-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.499 Å)
Cite:Photoreversible interconversion of a phytochrome photosensory module in the crystalline state.
Proc.Natl.Acad.Sci.USA, 117, 2020
8DK7
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BU of 8dk7 by Molmil
Crystal structure of theophylline aptamer soaked with TAL2
Descriptor: FAB heavy chain, FAB light chain, RNA (34-MER)
Authors:Menichelli, E, Spraggon, G.
Deposit date:2022-07-04
Release date:2022-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Discovery of small molecules that target a tertiary-structured RNA.
Proc.Natl.Acad.Sci.USA, 119, 2022
7PIK
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BU of 7pik by Molmil
Cryo-EM structure of E. coli TnsB in complex with right end fragment of Tn7 transposon
Descriptor: Right end fragment of Tn7 transposon, Transposon Tn7 transposition protein TnsB
Authors:Kaczmarska, Z, Czarnocki-Cieciura, M, Rawski, M, Nowotny, M.
Deposit date:2021-08-20
Release date:2022-06-15
Last modified:2022-08-03
Method:ELECTRON MICROSCOPY (2.68 Å)
Cite:Structural basis of transposon end recognition explains central features of Tn7 transposition systems.
Mol.Cell, 82, 2022
6OYU
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BU of 6oyu by Molmil
Structure of an ancestral-reconstructed cytochrome P450 1B1 with alpha-naphthoflavone
Descriptor: 2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE, Cytochrome P450 1B1, GLYCEROL, ...
Authors:Bart, A.G, Harris, K.L, Scott, E.E.
Deposit date:2019-05-15
Release date:2020-03-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structure of an ancestral mammalian family 1B1 cytochrome P450 with increased thermostability.
J.Biol.Chem., 295, 2020
6P07
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BU of 6p07 by Molmil
Spastin hexamer in complex with substrate
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Sandate, C.R, Szyk, A, Zehr, E, Roll-Mecak, A, Lander, G.C.
Deposit date:2019-05-16
Release date:2019-06-12
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:An allosteric network in spastin couples multiple activities required for microtubule severing.
Nat.Struct.Mol.Biol., 26, 2019
6MN4
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BU of 6mn4 by Molmil
Crystal structure of aminoglycoside acetyltransferase AAC(3)-IVa, H154A mutant, in complex with apramycin
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, APRAMYCIN, ...
Authors:Stogios, P.J, Evdokimova, E, Michalska, K, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-10-01
Release date:2018-10-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and molecular rationale for the diversification of resistance mediated by the Antibiotic_NAT family.
Commun Biol, 5, 2022
7B1X
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BU of 7b1x by Molmil
Crystal structure of cold-active esterase PMGL3 from permafrost metagenomic library
Descriptor: esterase PMGL3
Authors:Boyko, K.M, Nikolaeva, A.Y, Petrovskaya, L.E, Kryukova, M.V, Kryukova, E.A, Korzhenevsky, D.A, Lomakina, G.Y, Novototskaya-Vlasova, K.A, Rivkina, E.M, Dolgikh, D.A, Kirpichnikov, M.P, Popov, V.O.
Deposit date:2020-11-25
Release date:2021-11-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and Biochemical Characterization of a Cold-Active PMGL3 Esterase with Unusual Oligomeric Structure.
Biomolecules, 11, 2021
8BN8
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BU of 8bn8 by Molmil
METTL3-METTL14 heterodimer bound to the SAM competitive small molecule inhibitor STM3006
Descriptor: 2-[[4-(6-bromanyl-2~{H}-indazol-4-yl)-1,2,3-triazol-1-yl]methyl]-6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine, N6-adenosine-methyltransferase catalytic subunit, N6-adenosine-methyltransferase non-catalytic subunit
Authors:Pilka, E.S, Thomas, B, Blackaby, W, Hardick, D, Feeney, K, Ridgill, M, Rotty, B, Rausch, O.
Deposit date:2022-11-13
Release date:2023-09-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.213 Å)
Cite:Inhibition of METTL3 Results in a Cell-Intrinsic Interferon Response That Enhances Antitumor Immunity.
Cancer Discov, 13, 2023
8V6G
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BU of 8v6g by Molmil
DNA initiation complex (configuration 1) of Xenopus laevis DNA polymerase alpha-primase
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA polymerase alpha catalytic subunit, DNA polymerase alpha subunit B, ...
Authors:Mullins, E.A, Durie, C.L, Ohi, M.D, Chazin, W.J, Eichman, B.F.
Deposit date:2023-12-01
Release date:2023-12-20
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (11.16 Å)
Cite:A mechanistic model of primer synthesis from catalytic structures of DNA polymerase alpha-primase.
Nat.Struct.Mol.Biol., 31, 2024
8V6H
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BU of 8v6h by Molmil
DNA initiation complex (configuration 2) of Xenopus laevis DNA polymerase alpha-primase
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA polymerase alpha catalytic subunit, DNA polymerase alpha subunit B, ...
Authors:Mullins, E.A, Durie, C.L, Ohi, M.D, Chazin, W.J, Eichman, B.F.
Deposit date:2023-12-01
Release date:2023-12-20
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (11.11 Å)
Cite:A mechanistic model of primer synthesis from catalytic structures of DNA polymerase alpha-primase.
Nat.Struct.Mol.Biol., 31, 2024
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:2022-04-06
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Neutralization of SARS-CoV-2 by Destruction of the Prefusion Spike.
Cell Host Microbe, 28, 2020
7Q3P
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BU of 7q3p by Molmil
Crystal structure of IgG1-Fc-MST-HN (efgartigimod)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Pannecoucke, E, Savvides, S.N.
Deposit date:2021-10-28
Release date:2022-09-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Fab region of IgG impairs the internalization pathway of FcRn upon Fc engagement.
Nat Commun, 13, 2022
7ABU
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BU of 7abu by Molmil
Structure of SARS-CoV-2 Main Protease bound to RS102895
Descriptor: 1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1~{H}-3,1-benzoxazine-4,4'-piperidine]-2-one, 3C-like proteinase, DIMETHYL SULFOXIDE, ...
Authors:Guenther, S, Reinke, P.Y.A, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Lane, T.J, Dunkel, I, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A.
Deposit date:2020-09-08
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
7N6I
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BU of 7n6i by Molmil
ATP-bound TnsC-TniQ complex from ShCAST system
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DNA (5'-D(P*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*A)-3'), DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), ...
Authors:Park, J, Tsai, A.W.L, Mehrotra, E, Kellogg, E.H.
Deposit date:2021-06-08
Release date:2021-07-28
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural basis for target site selection in RNA-guided DNA transposition systems.
Science, 373, 2021
6P95
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BU of 6p95 by Molmil
Structure of Lassa virus glycoprotein in complex with Fab 25.6A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Saphire, E.O, Hastie, K.M.
Deposit date:2019-06-09
Release date:2019-09-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Convergent Structures Illuminate Features for Germline Antibody Binding and Pan-Lassa Virus Neutralization.
Cell, 178, 2019
7OF3
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BU of 7of3 by Molmil
Structure of a human mitochondrial ribosome large subunit assembly intermediate in complex with MTERF4-NSUN4 (dataset2).
Descriptor: 16S ribosomal RNA, 39S ribosomal protein L10, mitochondrial, ...
Authors:Hillen, H.S, Lavdovskaia, E, Nadler, F, Hanitsch, E, Linden, A, Bohnsack, K.E, Urlaub, H, Richter-Dennerlein, R.
Deposit date:2021-05-04
Release date:2021-05-19
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structural basis of GTPase-mediated mitochondrial ribosome biogenesis and recycling.
Nat Commun, 12, 2021
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:2024-01-24
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Discovery of Potent and Selective Methylenephosphonic Acid CD73 Inhibitors.
J.Med.Chem., 64, 2021
7OF7
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BU of 7of7 by Molmil
Structure of a human mitochondrial ribosome large subunit assembly intermediate in complex with MTERF4-NSUN4 and GTPBP5 (dataset1).
Descriptor: 16S ribosomal RNA, 39S ribosomal protein L10, mitochondrial, ...
Authors:Hillen, H.S, Lavdovskaia, E, Nadler, F, Hanitsch, E, Linden, A, Bohnsack, K.E, Urlaub, H, Richter-Dennerlein, R.
Deposit date:2021-05-04
Release date:2021-06-23
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Structural basis of GTPase-mediated mitochondrial ribosome biogenesis and recycling.
Nat Commun, 12, 2021
8C5V
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BU of 8c5v by Molmil
Chemotaxis core signalling unit from E protein lysed E. coli cells
Descriptor: Chemotaxis protein CheA, Chemotaxis protein CheW, Methyl-accepting chemotaxis protein I
Authors:Cassidy, C.K, Qin, Z, Zhang, P.
Deposit date:2023-01-10
Release date:2023-09-13
Last modified:2023-11-29
Method:ELECTRON MICROSCOPY (12 Å)
Cite:Structure of the native chemotaxis core signaling unit from phage E-protein lysed E. coli cells.
Mbio, 14, 2023
5MMS
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BU of 5mms by Molmil
Human cystathionine beta-synthase (CBS) p.P49L delta409-551 variant
Descriptor: Cystathionine beta-synthase, PROTOPORPHYRIN IX CONTAINING FE, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Vicente, J.B, Colaco, H.G, Malagrino, F, Santo, P.E, Gutierres, A, Bandeiras, T.M, Leandro, P, Brito, J.A, Giuffre, A.
Deposit date:2016-12-12
Release date:2017-05-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A Clinically Relevant Variant of the Human Hydrogen Sulfide-Synthesizing Enzyme Cystathionine beta-Synthase: Increased CO Reactivity as a Novel Molecular Mechanism of Pathogenicity?
Oxid Med Cell Longev, 2017, 2017
8D7Z
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BU of 8d7z by Molmil
Cereblon-DDB1 bound to CC-92480 and Ikaros ZF1-2-3
Descriptor: DNA damage-binding protein 1, DNA-binding protein Ikaros, Mezigdomide, ...
Authors:Watson, E.R, Lander, G.C.
Deposit date:2022-06-07
Release date:2022-07-20
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Molecular glue CELMoD compounds are regulators of cereblon conformation.
Science, 378, 2022
5NHG
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BU of 5nhg by Molmil
Crystal structure of the human dihydrolipoamide dehydrogenase
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dihydrolipoyl dehydrogenase, ...
Authors:Szabo, E, Mizsei, R, Wilk, P, Zambo, Z, Torocsik, B, Weiss, M.S, Adam-Vizi, V, Ambrus, A.
Deposit date:2017-03-21
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Crystal structures of the disease-causing D444V mutant and the relevant wild type human dihydrolipoamide dehydrogenase.
Free Radic. Biol. Med., 124, 2018
7ADW
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BU of 7adw by Molmil
Structure of SARS-CoV-2 Main Protease bound to 2,4'-Dimethylpropiophenone.
Descriptor: 2-methyl-1-(4-methylphenyl)propan-1-one, 3C-like proteinase, CHLORIDE ION, ...
Authors:Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A.
Deposit date:2020-09-16
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
8BCZ
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BU of 8bcz by Molmil
SARS-CoV-2 Delta-RBD complexed with Fabs BA.2-36, BA.2-23, EY6A and COVOX-45
Descriptor: BA.2-23 heavy chain, BA.2-23 light chain, BA.2-36 heavy chain, ...
Authors:Duyvesteyn, H.M.E, Ren, J, Stuart, D.I.
Deposit date:2022-10-17
Release date:2023-03-22
Last modified:2023-04-12
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Rapid escape of new SARS-CoV-2 Omicron variants from BA.2-directed antibody responses.
Cell Rep, 42, 2023

222415

數據於2024-07-10公開中

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