Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
PDB: 22322 results

9FWX
DownloadVisualize
BU of 9fwx by Molmil
Crystal structure of BRD4 BD1 with MEN1404BS.
Descriptor: 3-methyl-~{N}-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine, Bromodomain-containing protein 4
Authors:Bader, G, Kessler, D.
Deposit date:2024-07-01
Release date:2024-08-07
Last modified:2024-08-21
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Probing Protein-Ligand Methyl-pi Interaction Geometries through Chemical Shift Measurements of Selectively Labeled Methyl Groups.
J.Med.Chem., 67, 2024
9BXQ
DownloadVisualize
BU of 9bxq by Molmil
Paired Helical Filaments purified from Down Syndrome individual brain tissue applied to graphene oxide antibody affinity grids
Descriptor: Microtubule-associated protein tau
Authors:Tse, E, Ghosh, U, Condello, C, Southworth, D.
Deposit date:2024-05-22
Release date:2024-08-14
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM structures reveal tau filaments from Down syndrome adopt Alzheimer's disease fold.
Acta Neuropathol Commun, 12, 2024
9BDU
DownloadVisualize
BU of 9bdu by Molmil
NF-kappaB RelA homo-dimer bound to AT-centric kappaB DNA
Descriptor: DNA (5'-D(P*AP*CP*TP*GP*GP*GP*AP*AP*AP*TP*TP*CP*CP*AP*GP*TP*GP*AP*T)-3'), DNA (5'-D(P*AP*TP*CP*AP*CP*TP*GP*GP*AP*AP*TP*TP*TP*CP*CP*CP*AP*GP*T)-3'), SULFATE ION, ...
Authors:Biswas, T, Huang, D, Ghosh, G.
Deposit date:2024-04-12
Release date:2024-04-24
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Transient interactions modulate the affinity of NF-kappa B transcription factors for DNA.
Proc.Natl.Acad.Sci.USA, 121, 2024
9BXO
DownloadVisualize
BU of 9bxo by Molmil
Straight Filament of tau amyloids found in Down Syndrome individuals
Descriptor: Microtubule-associated protein tau
Authors:Tse, E, Ghosh, U, Condello, C, Southworth, D.
Deposit date:2024-05-22
Release date:2024-08-14
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Cryo-EM structures reveal tau filaments from Down syndrome adopt Alzheimer's disease fold.
Acta Neuropathol Commun, 12, 2024
9FXP
DownloadVisualize
BU of 9fxp by Molmil
Crystal structure of BRD4 BD1 with DI00626383.
Descriptor: 4-methoxy-1,2-benzoxazol-3-amine, Bromodomain-containing protein 4
Authors:Bader, G, Reinert, D.
Deposit date:2024-07-02
Release date:2024-08-07
Last modified:2024-08-21
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Probing Protein-Ligand Methyl-pi Interaction Geometries through Chemical Shift Measurements of Selectively Labeled Methyl Groups.
J.Med.Chem., 67, 2024
8X1F
DownloadVisualize
BU of 8x1f by Molmil
Crystal structure of an omega-transaminase mutant from Aspergillus terreus with in complex with PLP
Descriptor: D-aminoacid aminotransferase-like PLP-dependent enzyme, PYRIDOXAL-5'-PHOSPHATE
Authors:Hu, D, Lu, Z.Y, Xu, D.Z, He, Y.C.
Deposit date:2023-11-07
Release date:2023-12-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Efficient bioamination with an w-transaminase mutant from Aspergillus terreus
To Be Published
8VYL
DownloadVisualize
BU of 8vyl by Molmil
The structure of Human Hemoglobin in Complex with Nanobody BtNbE11
Descriptor: ACETYL GROUP, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Grinter, R, Binks, S, Fox, D.
Deposit date:2024-02-08
Release date:2024-07-17
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:The structure of a haemoglobin-nanobody complex reveals human beta-subunit-specific interactions.
Febs Lett., 2024
5R83
DownloadVisualize
BU of 5r83 by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z44592329
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, N-phenyl-N'-pyridin-3-ylurea
Authors:Fearon, D, Powell, A.J, Douangamath, A, Owen, C.D, Wild, C, Krojer, T, Lukacik, P, Strain-Damerell, C.M, Walsh, M.A, von Delft, F.
Deposit date:2020-03-03
Release date:2020-03-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Nat Commun, 11, 2020
5S18
DownloadVisualize
BU of 5s18 by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with EN300-321461
Descriptor: 6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine, DIMETHYL SULFOXIDE, Non-structural protein 3
Authors:Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F.
Deposit date:2020-11-02
Release date:2021-01-13
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
9BXI
DownloadVisualize
BU of 9bxi by Molmil
Paired Helical Filament of tau amyloids found in Down Syndrome individuals
Descriptor: Microtubule-associated protein tau
Authors:Tse, E, Ghosh, U, Condello, C, Southworth, D.
Deposit date:2024-05-22
Release date:2024-08-14
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Cryo-EM structures reveal tau filaments from Down syndrome adopt Alzheimer's disease fold.
Acta Neuropathol Commun, 12, 2024
8XJ4
DownloadVisualize
BU of 8xj4 by Molmil
Structure of prostatic acid phosphatase in human semen
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Prostatic acid phosphatase, alpha-D-mannopyranose, ...
Authors:Liu, X.Z, Li, J.L, Deng, D, Wang, X.
Deposit date:2023-12-20
Release date:2024-02-28
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.19 Å)
Cite:Purification, identification and Cryo-EM structure of prostatic acid phosphatase in human semen.
Biochem.Biophys.Res.Commun., 702, 2024
5R7Y
DownloadVisualize
BU of 5r7y by Molmil
PanDDA analysis group deposition -- Crystal Structure of COVID-19 main protease in complex with Z45617795
Descriptor: 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Fearon, D, Powell, A.J, Douangamath, A, Owen, C.D, Wild, C, Krojer, T, Lukacik, P, Strain-Damerell, C.M, Walsh, M.A, von Delft, F.
Deposit date:2020-03-03
Release date:2020-03-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Nat Commun, 11, 2020
5RE7
DownloadVisualize
BU of 5re7 by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z30932204
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(4-sulfamoylphenyl)methyl]acetamide
Authors:Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F.
Deposit date:2020-03-15
Release date:2020-03-25
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Nat Commun, 11, 2020
5REO
DownloadVisualize
BU of 5reo by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102578
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide
Authors:Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F.
Deposit date:2020-03-15
Release date:2020-03-25
Last modified:2021-02-24
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Nat Commun, 11, 2020
5RF4
DownloadVisualize
BU of 5rf4 by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1741982125
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, pyridin-2-ol
Authors:Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F.
Deposit date:2020-03-15
Release date:2020-03-25
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Nat Commun, 11, 2020
8YUV
DownloadVisualize
BU of 8yuv by Molmil
Cryo-EM structure of the immepip-bound H3R-Gi complex
Descriptor: 4-(1H-imidazol-5-ylmethyl)piperidine, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Shen, Q, Tang, X, Wen, X, Cheng, S, Xiao, P, Zang, S, Shen, D, Jiang, L, Zheng, Y, Zhang, H, Xu, H, Mao, C, Zhang, M, Hu, W, Sun, J, Chen, Z, Zhang, Y.
Deposit date:2024-03-27
Release date:2024-06-05
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Molecular Determinant Underlying Selective Coupling of Primary G-Protein by Class A GPCRs.
Adv Sci, 11, 2024
5RFH
DownloadVisualize
BU of 5rfh by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102277
Descriptor: 1-{4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one, 3C-like proteinase, DIMETHYL SULFOXIDE
Authors:Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F.
Deposit date:2020-03-15
Release date:2020-03-25
Last modified:2021-02-24
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Nat Commun, 11, 2020
8YUU
DownloadVisualize
BU of 8yuu by Molmil
Cryo-EM structure of the histamine-bound H3R-Gi complex
Descriptor: CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Shen, Q, Tang, X, Wen, X, Cheng, S, Xiao, P, Zang, S, Shen, D, Jiang, L, Zheng, Y, Zhang, H, Xu, H, Mao, C, Zhang, M, Hu, W, Sun, J, Chen, Z, Zhang, Y.
Deposit date:2024-03-27
Release date:2024-06-05
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Molecular Determinant Underlying Selective Coupling of Primary G-Protein by Class A GPCRs.
Adv Sci, 11, 2024
5RFY
DownloadVisualize
BU of 5rfy by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102974
Descriptor: 1-acetyl-N-methyl-N-(propan-2-yl)piperidine-4-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE
Authors:Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F.
Deposit date:2020-03-15
Release date:2020-03-25
Last modified:2021-02-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Nat Commun, 11, 2020
5REI
DownloadVisualize
BU of 5rei by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z2856434856
Descriptor: 3C-like proteinase, 4-[(3-chlorophenyl)methyl]morpholine, DIMETHYL SULFOXIDE
Authors:Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F.
Deposit date:2020-03-15
Release date:2020-03-25
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Nat Commun, 11, 2020
5REY
DownloadVisualize
BU of 5rey by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102911
Descriptor: 1-{4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl}ethan-1-one, 3C-like proteinase, DIMETHYL SULFOXIDE
Authors:Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F.
Deposit date:2020-03-15
Release date:2020-03-25
Last modified:2021-02-24
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Nat Commun, 11, 2020
5RH2
DownloadVisualize
BU of 5rh2 by Molmil
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1129289650 (Mpro-x2646)
Descriptor: 2-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)acetamide, 3C-like proteinase, DIMETHYL SULFOXIDE
Authors:Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F.
Deposit date:2020-05-15
Release date:2020-05-27
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.827 Å)
Cite:PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen
To Be Published
8YUT
DownloadVisualize
BU of 8yut by Molmil
Cryo-EM structure of the amthamine-bound H2R-Gs complex
Descriptor: 5-(2-azanylethyl)-4-methyl-1,3-thiazol-2-amine, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Shen, Q, Tang, X, Wen, X, Cheng, S, Xiao, P, Zang, S, Shen, D, Jiang, L, Zheng, Y, Zhang, H, Xu, H, Mao, C, Zhang, M, Hu, W, Sun, J, Chen, Z, Zhang, Y.
Deposit date:2024-03-27
Release date:2024-06-05
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Molecular Determinant Underlying Selective Coupling of Primary G-Protein by Class A GPCRs.
Adv Sci, 11, 2024
5RFD
DownloadVisualize
BU of 5rfd by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z126932614
Descriptor: 2-[(methylsulfonyl)methyl]-1H-benzimidazole, 3C-like proteinase, DIMETHYL SULFOXIDE
Authors:Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F.
Deposit date:2020-03-15
Release date:2020-03-25
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Nat Commun, 11, 2020
5RFS
DownloadVisualize
BU of 5rfs by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102739
Descriptor: 1-{4-[(thiophen-3-yl)methyl]piperazin-1-yl}ethan-1-one, 3C-like proteinase, DIMETHYL SULFOXIDE
Authors:Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F.
Deposit date:2020-03-15
Release date:2020-03-25
Last modified:2021-02-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Nat Commun, 11, 2020

224004

건을2024-08-21부터공개중

PDB statisticsPDBj update infoContact PDBjnumon