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6N37
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BU of 6n37 by Molmil
SegA-sym, conformation of TDP-43 low complexity domain segment A sym
Descriptor: TAR DNA-binding protein 43
Authors:Cao, Q, Boyer, D.R, Sawaya, M.R, Eisenberg, D.S.
Deposit date:2018-11-14
Release date:2019-06-26
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Cryo-EM structures of four polymorphic TDP-43 amyloid cores.
Nat.Struct.Mol.Biol., 26, 2019
6N3C
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BU of 6n3c by Molmil
SegB, conformation of TDP-43 low complexity domain segment A
Descriptor: TAR DNA-binding protein 43
Authors:Cao, Q, Boyer, D.R, Sawaya, M.R, Eisenberg, D.S.
Deposit date:2018-11-14
Release date:2019-06-26
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structures of four polymorphic TDP-43 amyloid cores.
Nat.Struct.Mol.Biol., 26, 2019
6N3B
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BU of 6n3b by Molmil
SegA-asym, conformation of TDP-43 low complexity domain segment A asym
Descriptor: TAR DNA-binding protein 43
Authors:Cao, Q, Boyer, D.R, Sawaya, M.R, Eisenberg, D.S.
Deposit date:2018-11-14
Release date:2019-06-26
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Cryo-EM structures of four polymorphic TDP-43 amyloid cores.
Nat.Struct.Mol.Biol., 26, 2019
8AZ6
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BU of 8az6 by Molmil
IAPP S20G plateau-phase fibril polymorph 4PF-LU
Descriptor: Islet amyloid polypeptide
Authors:Wilkinson, M, Xu, Y, Gallardo, R, Radford, S.E, Ranson, N.A.
Deposit date:2022-09-05
Release date:2024-01-10
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural evolution of fibril polymorphs during amyloid assembly.
Cell, 186, 2023
6KWN
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BU of 6kwn by Molmil
Crystal structure of pSLA-1*1301(F99Y) complex with S-OIV-derived epitope NSDTVGWSW
Descriptor: Beta-2-microglobulin, MHC class I antigen, peptide
Authors:Wei, X.H, Wang, S, Zhang, N.Z, Xia, C.
Deposit date:2019-09-07
Release date:2020-09-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Peptidomes and Structures Illustrate Two Distinguishing Mechanisms of Alternating the Peptide Plasticity Caused by Swine MHC Class I Micropolymorphism.
Front Immunol, 12, 2021
6KWL
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BU of 6kwl by Molmil
Crystal structure of pSLA-1*0401(R156A) complex with FMDV-derived epitope MTAHITVPY
Descriptor: Beta-2-microglobulin, MHC class I antigen, peptide
Authors:Wei, X.H, Wang, S, Zhang, N.Z, Xia, C.
Deposit date:2019-09-07
Release date:2020-09-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Peptidomes and Structures Illustrate Two Distinguishing Mechanisms of Alternating the Peptide Plasticity Caused by Swine MHC Class I Micropolymorphism.
Front Immunol, 12, 2021
6KWO
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BU of 6kwo by Molmil
Crystal structure of pSLA-1*1301 complex with mutant epitope ESDTVGWSW
Descriptor: Beta-2-microglobulin, MHC class I antigen, peptide
Authors:Wei, X.H, Wang, S, Zhang, N.Z, Xia, C.
Deposit date:2019-09-07
Release date:2020-09-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.803 Å)
Cite:Peptidomes and Structures Illustrate Two Distinguishing Mechanisms of Alternating the Peptide Plasticity Caused by Swine MHC Class I Micropolymorphism.
Front Immunol, 12, 2021
6KWK
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BU of 6kwk by Molmil
Crystal structure of pSLA-1*0401 complex with FMDV-derived epitope MTAHITVPY
Descriptor: Beta-2-microglobulin, MHC class I antigen, peptide
Authors:Wei, X.H, Wang, S, Zhang, N.Z, Xia, C.
Deposit date:2019-09-07
Release date:2020-09-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Peptidomes and Structures Illustrate Two Distinguishing Mechanisms of Alternating the Peptide Plasticity Caused by Swine MHC Class I Micropolymorphism.
Front Immunol, 12, 2021
9FAB
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BU of 9fab by Molmil
Additional cryo-EM structure of cardiac amyloid AL59 - bent polymorph
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Monoclonal immunoglobulin light chains (LC)
Authors:Schulte, T, Speranzini, V, Chaves-Sanjuan, A, Milazzo, M, Ricagno, S.
Deposit date:2024-05-10
Release date:2024-08-14
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Additional cryo-EM structure of cardiac amyloid AL59 - bent polymorph
To be published
6TC2
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BU of 6tc2 by Molmil
Monoclinic human insulin in complex with p-coumaric acid
Descriptor: 4'-HYDROXYCINNAMIC ACID, Insulin, PHOSPHATE ION, ...
Authors:Triandafillidis, D.-P, Parthenios, N, Spiliopoulou, M, Valmas, A, Kosinas, C, Gozzo, F, Reinle-Schmitt, M, Beckers, D, Degen, T, Pop, M, Fitch, A, Wollenhaupt, J, Weiss, M.S, Karavassili, F, Margiolaki, I.
Deposit date:2019-11-04
Release date:2020-11-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Insulin polymorphism induced by two polyphenols: new crystal forms and advances in macromolecular powder diffraction.
Acta Crystallogr D Struct Biol, 76, 2020
6X44
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BU of 6x44 by Molmil
High Resolution Crystal Structure Analysis of SERA5 proenzyme from plasmodium falciparum
Descriptor: DI(HYDROXYETHYL)ETHER, Serine repeat antigen 5
Authors:Clarke, O.B, Smith, N.A, Lee, M, Smith, B.J.
Deposit date:2020-05-22
Release date:2020-10-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.19733953 Å)
Cite:Structure of the Plasmodium falciparum PfSERA5 pseudo-zymogen.
Protein Sci., 29, 2020
3VSB
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BU of 3vsb by Molmil
SUBTILISIN CARLSBERG D-NAPHTHYL-1-ACETAMIDO BORONIC ACID INHIBITOR COMPLEX
Descriptor: SODIUM ION, SUBTILISIN CARLSBERG, TYPE VIII
Authors:Stoll, V.S, Eger, B.T, Hynes, R.C, Martichonok, V, Jones, J.B, Pai, E.F.
Deposit date:1997-09-25
Release date:1998-03-25
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Differences in binding modes of enantiomers of 1-acetamido boronic acid based protease inhibitors: crystal structures of gamma-chymotrypsin and subtilisin Carlsberg complexes.
Biochemistry, 37, 1998
6Q6Q
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BU of 6q6q by Molmil
Human aldehyde oxidase SNP G1269R
Descriptor: Aldehyde oxidase, FE2/S2 (INORGANIC) CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Mota, C, Coelho, C, Santos-Silva, T, Romao, M.J.
Deposit date:2018-12-11
Release date:2019-05-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.10003781 Å)
Cite:Human aldehyde oxidase (hAOX1): structure determination of the Moco-free form of the natural variant G1269R and biophysical studies of single nucleotide polymorphisms.
Febs Open Bio, 9, 2019
6X42
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BU of 6x42 by Molmil
High Resolution Crystal Structure Analysis of SERA5E from plasmodium falciparum
Descriptor: 1,2-ETHANEDIOL, 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, CALCIUM ION, ...
Authors:Clarke, O.B, Smith, N.A, Lee, M, Smith, B.J.
Deposit date:2020-05-21
Release date:2020-10-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structure of the Plasmodium falciparum PfSERA5 pseudo-zymogen.
Protein Sci., 29, 2020
8DZ0
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BU of 8dz0 by Molmil
Crystal Structure of SARS-CoV-2 Main protease in complex with Ensitrelvir
Descriptor: 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, DIMETHYL SULFOXIDE
Authors:Noske, G.D, Oliva, G, Godoy, A.S.
Deposit date:2022-08-06
Release date:2022-10-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structural basis of nirmatrelvir and ensitrelvir activity against naturally occurring polymorphisms of the SARS-CoV-2 main protease.
J.Biol.Chem., 299, 2023
8DZA
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BU of 8dza by Molmil
Crystal Structure of SARS-CoV-2 Main protease A193T mutant in complex with Nirmatrelvir
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
Authors:Noske, G.D, Oliva, G, Godoy, A.S.
Deposit date:2022-08-06
Release date:2022-10-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.961 Å)
Cite:Structural basis of nirmatrelvir and ensitrelvir activity against naturally occurring polymorphisms of the SARS-CoV-2 main protease.
J.Biol.Chem., 299, 2023
8DZ6
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BU of 8dz6 by Molmil
Crystal Structure of SARS-CoV-2 Main protease mutant Q189K in complex with Nirmatrelvir
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
Authors:Noske, G.D, Oliva, G, Godoy, A.S.
Deposit date:2022-08-06
Release date:2022-10-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.366 Å)
Cite:Structural basis of nirmatrelvir and ensitrelvir activity against naturally occurring polymorphisms of the SARS-CoV-2 main protease.
J.Biol.Chem., 299, 2023
8DZ1
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BU of 8dz1 by Molmil
Crystal Structure of SARS-CoV-2 Main protease mutant M49I in complex with Ensitrelvir
Descriptor: 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, DIMETHYL SULFOXIDE, Replicase polyprotein 1ab
Authors:Noske, G.D, Oliva, G, Godoy, A.S.
Deposit date:2022-08-06
Release date:2022-10-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structural basis of nirmatrelvir and ensitrelvir activity against naturally occurring polymorphisms of the SARS-CoV-2 main protease.
J.Biol.Chem., 299, 2023
8DZ2
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BU of 8dz2 by Molmil
Crystal Structure of SARS-CoV-2 Main protease in complex with Nirmatrelvir
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
Authors:Noske, G.D, Oliva, G, Godoy, A.S.
Deposit date:2022-08-06
Release date:2022-10-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.129 Å)
Cite:Structural basis of nirmatrelvir and ensitrelvir activity against naturally occurring polymorphisms of the SARS-CoV-2 main protease.
J.Biol.Chem., 299, 2023
8E26
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BU of 8e26 by Molmil
Crystal Structure of SARS-CoV-2 Main Protease N142S mutant in complex with Nirmatrelvir
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
Authors:Noske, G.D, Godoy, A.S, Oliva, G.
Deposit date:2022-08-14
Release date:2022-10-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.845 Å)
Cite:Structural basis of nirmatrelvir and ensitrelvir activity against naturally occurring polymorphisms of the SARS-CoV-2 main protease.
J.Biol.Chem., 299, 2023
8E25
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BU of 8e25 by Molmil
Crystal Structure of SARS-CoV-2 Main Protease M49I mutant in complex with Nirmatrelvir
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, DIMETHYL SULFOXIDE, Replicase polyprotein 1ab
Authors:Noske, G.D, Godoy, A.S, Oliva, G.
Deposit date:2022-08-14
Release date:2022-10-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.868 Å)
Cite:Structural basis of nirmatrelvir and ensitrelvir activity against naturally occurring polymorphisms of the SARS-CoV-2 main protease.
J.Biol.Chem., 299, 2023
8AZ1
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BU of 8az1 by Molmil
IAPP S20G growth-phase fibril polymorph 2PF-C
Descriptor: Islet amyloid polypeptide
Authors:Wilkinson, M, Xu, Y, Gallardo, R, Radford, S.E, Ranson, N.A.
Deposit date:2022-09-05
Release date:2024-01-10
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural evolution of fibril polymorphs during amyloid assembly.
Cell, 186, 2023
8AZ2
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BU of 8az2 by Molmil
IAPP S20G growth-phase fibril polymorph 3PF-CU
Descriptor: Islet amyloid polypeptide
Authors:Wilkinson, M, Xu, Y, Gallardo, R, Radford, S.E, Ranson, N.A.
Deposit date:2022-09-05
Release date:2024-01-10
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural evolution of fibril polymorphs during amyloid assembly.
Cell, 186, 2023
6AB6
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BU of 6ab6 by Molmil
Cryo-EM structure of T=3 Penaeus vannamei nodavirus
Descriptor: CALCIUM ION, Capsid protein
Authors:Chen, N.C, Miyazaki, N, Yoshimura, M, Guan, H.H, Lin, C.C, Iwasaki, K, Chen, C.J.
Deposit date:2018-07-20
Release date:2019-03-20
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:The atomic structures of shrimp nodaviruses reveal new dimeric spike structures and particle polymorphism.
Commun Biol, 2, 2019
5D21
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BU of 5d21 by Molmil
Multivalency Effects in Glycopeptide Dendrimer Inhibitors of Pseudomonas aeruginosa Biofilms Targeting Lectin LecA
Descriptor: CALCIUM ION, LecA, phenyl beta-D-galactopyranoside
Authors:Bergmann, M, Michaud, G, Visini, R, Jin, X, Stocker, A, Darbre, T, Reymond, J.-L.
Deposit date:2015-08-05
Release date:2015-11-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Multivalency effects on Pseudomonas aeruginosa biofilm inhibition and dispersal by glycopeptide dendrimers targeting lectin LecA.
Org.Biomol.Chem., 14, 2016

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