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9GAN
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BU of 9gan by Molmil
CryoEM structure of influenza A RNP-like particle single-stranded assembled with a 12-mer RNA.
Descriptor: 2-[3,6-bis(oxidanylidene)-4,5-dihydroxanthen-9-yl]-4-[3-[(2R)-2-oxidanylpropoxy]propylcarbamoyl]benzoic acid, Nucleoprotein, RNA (5'-P(UC)6-FAM3')
Authors:Chenavier, F, Ruigrok, R.W.H, Schoehn, G, Ballandras-Colas, A, Crepin, T.
Deposit date:2024-07-29
Release date:2025-01-15
Last modified:2025-02-12
Method:ELECTRON MICROSCOPY (3.32 Å)
Cite:Influenza a virus antiparallel helical nucleocapsid-like pseudo-atomic structure.
Nucleic Acids Res., 53, 2025
9GAT
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BU of 9gat by Molmil
CryoEM structure of the antiparallel double-stranded influenza A RNP-like particle with a 18-mer RNA.
Descriptor: 2-[3,6-bis(oxidanylidene)-4,5-dihydroxanthen-9-yl]-4-[3-[(2R)-2-oxidanylpropoxy]propylcarbamoyl]benzoic acid, Nucleoprotein, RNA (5'-P(UC)9-FAM3')
Authors:Chenavier, F, Ruigrok, R.W.H, Schoehn, G, Ballandras-Colas, A, Crepin, T.
Deposit date:2024-07-29
Release date:2025-01-15
Last modified:2025-02-12
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Influenza a virus antiparallel helical nucleocapsid-like pseudo-atomic structure.
Nucleic Acids Res., 53, 2025
9GAV
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BU of 9gav by Molmil
Focused reconstruction on strand 1 of the influenza A RNP-like particle double-stranded assembled with a 18-mer RNA.
Descriptor: 2-[3,6-bis(oxidanylidene)-4,5-dihydroxanthen-9-yl]-4-[3-[(2R)-2-oxidanylpropoxy]propylcarbamoyl]benzoic acid, Nucleoprotein, RNA (5'-P(UC)9-FAM3')
Authors:Chenavier, F, Ruigrok, R.W.H, Schoehn, G, Ballandras-Colas, A, Crepin, T.
Deposit date:2024-07-29
Release date:2025-01-15
Last modified:2025-02-12
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Influenza a virus antiparallel helical nucleocapsid-like pseudo-atomic structure.
Nucleic Acids Res., 53, 2025
9BZG
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BU of 9bzg by Molmil
Targeting N-Myc in Neuroblastoma with Selective Aurora Kinase A Degraders
Descriptor: 7-cyclopentyl-N,N-dimethyl-2-[4-(methylcarbamoyl)anilino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide, Aurora kinase A
Authors:Baker, Z.D, Tang, J, Shi, K, Aihara, H, Levinson, N.M, Harki, D.A.
Deposit date:2024-05-24
Release date:2025-01-15
Last modified:2025-03-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Targeting N-Myc in neuroblastoma with selective Aurora kinase A degraders.
Cell Chem Biol, 32, 2025
9BZL
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BU of 9bzl by Molmil
Targeting N-Myc in Neuroblastoma with Selective Aurora Kinase A Degraders
Descriptor: 7-cyclopentyl-N,N-dimethyl-2-{[5-(methylcarbamoyl)pyridin-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide, Aurora kinase A
Authors:Baker, Z.D, Tang, J, Shi, K, Aihara, H, Levinson, N.M, Harki, D.A.
Deposit date:2024-05-24
Release date:2025-01-15
Last modified:2025-03-05
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Targeting N-Myc in neuroblastoma with selective Aurora kinase A degraders.
Cell Chem Biol, 32, 2025
5E32
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BU of 5e32 by Molmil
Crystal structure of H5 hemagglutinin mutant (N224K, Q226L, N158D and L133a deletion) from the influenza virus A/chicken/Vietnam/NCVD-093/2008 (H5N1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin
Authors:Zhu, X, Wilson, I.A.
Deposit date:2015-10-01
Release date:2015-12-02
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Basis for a Switch in Receptor Binding Specificity of Two H5N1 Hemagglutinin Mutants.
Cell Rep, 13, 2015
5KLC
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BU of 5klc by Molmil
Structure of CBM_E1, a novel carbohydrate-binding module found by sugar cane soil metagenome
Descriptor: Carbohydrate binding module E1
Authors:Liberato, M.V, Campos, B.M, Zeri, A.C.M, Squina, F.M.
Deposit date:2016-06-24
Release date:2016-09-21
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.746 Å)
Cite:A Novel Carbohydrate-binding Module from Sugar Cane Soil Metagenome Featuring Unique Structural and Carbohydrate Affinity Properties.
J.Biol.Chem., 291, 2016
5KLF
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BU of 5klf by Molmil
Structure of CBM_E1, a novel carbohydrate-binding module found by sugar cane soil metagenome, complexed with cellopentaose and gadolinium ion
Descriptor: Carbohydrate binding module E1, GADOLINIUM ATOM, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Liberato, M.V, Campos, B.M, Zeri, A.C.M, Squina, F.M.
Deposit date:2016-06-24
Release date:2016-09-21
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:A Novel Carbohydrate-binding Module from Sugar Cane Soil Metagenome Featuring Unique Structural and Carbohydrate Affinity Properties.
J.Biol.Chem., 291, 2016
8V4U
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BU of 8v4u by Molmil
Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor
Descriptor: 3C-like proteinase nsp5, N-(methoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-(trifluoromethyl)-L-prolinamide
Authors:Greasley, S.E, Ferre, R.A, Liu, W.
Deposit date:2023-11-29
Release date:2024-05-15
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.819 Å)
Cite:A Second-Generation Oral SARS-CoV-2 Main Protease Inhibitor Clinical Candidate for the Treatment of COVID-19.
J.Med.Chem., 67, 2024
3DR8
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BU of 3dr8 by Molmil
Structure of yncA, a putative ACETYLTRANSFERASE from Salmonella typhimurium with its cofactor Acetyl-CoA
Descriptor: ACETATE ION, ACETYL COENZYME *A, CHLORIDE ION, ...
Authors:Singer, A.U, Skarina, T, Onopriyenko, O, Edwards, A.M, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2008-07-10
Release date:2008-08-12
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure of yncA, a putative ACETYLTRANSFERASE from Salmonella typhimurium with its cofactor Acetyl-CoA
To be Published
6MW0
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BU of 6mw0 by Molmil
Mle-Phe-Mle-D-Phe. Linear tetrapeptide related to pseudoxylallemycin A.
Descriptor: METHANOL, Mle-Phe-Mle-D-Phe Linear tetrapeptide related to pseudoxylallemycin A
Authors:Cameron, A.J, Harris, P.W.R, Brimble, M.A, Squire, C.J.
Deposit date:2018-10-29
Release date:2019-09-11
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (0.78 Å)
Cite:Investigations of the key macrolactamisation step in the synthesis of cyclic tetrapeptide pseudoxylallemycin A.
Org.Biomol.Chem., 17, 2019
6UR5
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BU of 6ur5 by Molmil
Resurfaced influenza hemagglutinin in complex with a broadly neutralizing antibody
Descriptor: Antibody heavy chain, Antibody light chain, GLYCEROL, ...
Authors:Bajic, G, Schmidt, A.G.
Deposit date:2019-10-22
Release date:2020-06-10
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (4 Å)
Cite:Structure-Guided Molecular Grafting of a Complex Broadly Neutralizing Viral Epitope.
Acs Infect Dis., 6, 2020
7VVR
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BU of 7vvr by Molmil
Bovine cytochrome c oxidese in CN-bound mixed valence state at 50 K
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (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, ...
Authors:Shimada, A, Tsukihara, T.
Deposit date:2021-11-08
Release date:2022-11-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystallographic cyanide-probing for cytochrome c oxidase reveals structural bases suggesting that a putative proton transfer H-pathway pumps protons.
J.Biol.Chem., 299, 2023
7VUW
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BU of 7vuw by Molmil
Bovine heart cytochrome c oxidase in the cyanide-bound fully oxidized state at 50 K
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (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, ...
Authors:Shimada, A, Tsukihara, T.
Deposit date:2021-11-04
Release date:2022-11-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystallographic cyanide-probing for cytochrome c oxidase reveals structural bases suggesting that a putative proton transfer H-pathway pumps protons.
J.Biol.Chem., 299, 2023
9CT1
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BU of 9ct1 by Molmil
Complex between the porcine trypsin and M271 a Kunitz-STI from Solanum tuberosum
Descriptor: CALCIUM ION, KTI-A protein, Trypsin
Authors:Campuzano-Gonzalez, A, Rudino-Pinera, E.
Deposit date:2024-07-24
Release date:2025-05-14
Last modified:2025-05-21
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Structural determination of a new non-canonical inhibition complex between porcine trypsin and M271 a potato Kunitz-STI inhibitor.
Biochem.Biophys.Res.Commun., 768, 2025
6MW2
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BU of 6mw2 by Molmil
cyclo-Mle-Phe-Mle-D-Phe. D-Phe analogue of pseudoxylallemycin A.
Descriptor: pseudoxylallemycin A
Authors:Cameron, A.J, Harris, P.W.R, Brimble, M.A, Squire, C.J.
Deposit date:2018-10-29
Release date:2019-09-11
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (0.77 Å)
Cite:Investigations of the key macrolactamisation step in the synthesis of cyclic tetrapeptide pseudoxylallemycin A.
Org.Biomol.Chem., 17, 2019
7Z4O
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BU of 7z4o by Molmil
Influenza A/H7N9 polymerase core dimer with Pol II pSer5 CTD peptide mimic bound in site 2A
Descriptor: MAGNESIUM ION, Polymerase acidic protein, Polymerase basic protein 2, ...
Authors:Cusack, S, Pflug, A.
Deposit date:2022-03-04
Release date:2022-05-11
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.412 Å)
Cite:Type B and type A influenza polymerases have evolved distinct binding interfaces to recruit the RNA polymerase II CTD.
Plos Pathog., 18, 2022
9CR5
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BU of 9cr5 by Molmil
Crystal structure of GNAT superfamily acetyltransferase PA2271 from Pseudomonas aeruginosa
Descriptor: ACETYL COENZYME *A, Acetyltransferase PA2271, CHLORIDE ION, ...
Authors:Majorek, K.A, Cooper, D.R, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2024-07-20
Release date:2025-05-28
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Structural, functional, and regulatory evaluation of a cysteine post-translationally modified Gcn5-related N-acetyltransferase.
Biochem.Biophys.Res.Commun., 748, 2025
7ZUN
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BU of 7zun by Molmil
Crystal structure of PIM1 in complex with a Pyrrolo-Pyrazinone compound
Descriptor: (4~{S})-4-(2-azanylethyl)-6-phenyl-7-[3-(trifluoromethyloxy)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-ol, Isoform 2 of Serine/threonine-protein kinase pim-1
Authors:Casale, E.
Deposit date:2022-05-12
Release date:2022-10-05
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Stereoselective synthesis of 3,4-dihydropyrrolo[1,2-a]pyrazin-1(2H)-one derivatives as PIM kinase inhibitors inspired from marine alkaloids.
Chirality, 34, 2022
9DM0
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BU of 9dm0 by Molmil
Cryo-EM structure of the SFV009 3G01 Fab in complex with A/California/04/2009
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab heavy chain, ...
Authors:Fernandez Quintero, M.L, Ferguson, J.A, Han, J, Ward, A.B.
Deposit date:2024-09-11
Release date:2025-02-19
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structurally convergent antibodies derived from different vaccine strategies target the influenza virus HA anchor epitope with a subset of V H 3 and V K 3 genes.
Nat Commun, 16, 2025
2UUX
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BU of 2uux by Molmil
Structure of the tryptase inhibitor TdPI from a tick
Descriptor: SULFATE ION, TRYPTASE INHIBITOR
Authors:Siebold, C, Paesen, G.C, Harlos, K, Peacey, M.F, Nuttall, P.A, Stuart, D.I.
Deposit date:2007-03-08
Release date:2007-04-03
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A Tick Protein with a Modified Kunitz Fold Inhibits Human Tryptase.
J.Mol.Biol., 368, 2007
5L8S
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BU of 5l8s by Molmil
The crystal structure of a cold-adapted acylaminoacyl peptidase reveals a novel quaternary architecture based on the arm-exchange mechanism
Descriptor: Amino acyl peptidase, SULFATE ION
Authors:Brocca, S, Ferrari, C, Barbiroli, A, Pesce, A, Lotti, M, Nardini, M.
Deposit date:2016-06-08
Release date:2016-11-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A bacterial acyl aminoacyl peptidase couples flexibility and stability as a result of cold adaptation.
FEBS J., 283, 2016
1A61
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BU of 1a61 by Molmil
THROMBIN COMPLEXED WITH A BETA-MIMETIC THIAZOLE-CONTAINING INHIBITOR
Descriptor: (1S,7S)-7-amino-7-benzyl-N-{(1S)-4-carbamimidamido-1-[(S)-hydroxy(1,3-thiazol-2-yl)methyl]butyl}-8-oxohexahydro-1H-pyra zolo[1,2-a]pyridazine-1-carboxamide, ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), ...
Authors:St Charles, R, Matthews, J.H, Zhang, E, Tulinsky, A, Kahn, M.
Deposit date:1998-03-05
Release date:1998-06-17
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Bound structures of novel P3-P1' beta-strand mimetic inhibitors of thrombin.
J.Med.Chem., 42, 1999
9DFE
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BU of 9dfe by Molmil
Crystal structure of the wild-type Thermus thermophilus 70S ribosome in complex with lasso peptide lariocidin and protein Y at 2.60A resolution
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 16S Ribosomal RNA, 23S Ribosomal RNA, ...
Authors:Aleksandrova, E.V, Travin, D.Y, Jangra, M, Kaur, M, Darwish, L, Koteva, K, Klepacki, D, Wang, W, Tiffany, M, Sokaribo, A, Coombes, B.K, Vazquez-Laslop, N, Wright, G.D, Mankin, A.S, Polikanov, Y.S.
Deposit date:2024-08-29
Release date:2024-11-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A Broad Spectrum Lasso Peptide Antibiotic Targeting the Bacterial Ribosome.
Res Sq, 2024
8PN9
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BU of 8pn9 by Molmil
Structure of human oligosaccharyltransferase OST-A complex bound to NGI-1
Descriptor: (2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-2,6,10,14,18,22,26,30-OCTAENYL TRIHYDROGEN DIPHOSPHATE, (2~{S},3~{R},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-[(1~{S},2~{R},3~{R},4~{R},5'~{S},6~{S},7~{R},8~{S},9~{R},12~{R},13~{R},15~{S},16~{S},18~{R})-5',7,9,13-tetramethyl-3,15-bis(oxidanyl)spiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-16-yl]oxy-oxane-3,4,5-triol, (4R,7R)-4-hydroxy-N,N,N-trimethyl-4,9-dioxo-7-[(undecanoyloxy)methyl]-3,5,8-trioxa-4lambda~5~-phosphadocosan-1-aminium, ...
Authors:Ramirez, A.S, Kowal, J, Locher, K.P.
Deposit date:2023-06-30
Release date:2024-05-08
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.61 Å)
Cite:Positive selection CRISPR screens reveal a druggable pocket in an oligosaccharyltransferase required for inflammatory signaling to NF-kappa B.
Cell, 187, 2024

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