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PDB: 53266 results

7QOU
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A mutant of the nitrile hydratase from Geobacillus pallidus having enhanced thermostability
Descriptor: CHLORIDE ION, COBALT (II) ION, MAGNESIUM ION, ...
Authors:Van Wyk, J.C, Cowan, D.A, Danson, M.J, Tsekoa, T.L, Sayed, M.F, Sewell, B.T.
Deposit date:2021-12-29
Release date:2023-01-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Engineering enhanced thermostability into the Geobacillus pallidus nitrile hydratase.
Curr Res Struct Biol, 4, 2022
7QOV
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The wild type nitrile hydratase from Geobacillus pallidus
Descriptor: CHLORIDE ION, COBALT (III) ION, Nitrile hydratase, ...
Authors:Van Wyk, J.C, Cowan, D.A, Danson, M.J, Tsekoa, T.L, Sayed, M.F, Sewell, B.T.
Deposit date:2021-12-29
Release date:2023-01-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Engineering enhanced thermostability into the Geobacillus pallidus nitrile hydratase.
Curr Res Struct Biol, 4, 2022
6N8C
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BU of 6n8c by Molmil
Structure of the Huntingtin tetramer/dimer mixture determined by paramagnetic NMR
Descriptor: Huntingtin
Authors:Schwieters, C.D, Kotler, S.A, Schmidt, T, Ceccon, A, Ghirlando, R, Libich, D.S, Clore, G.M.
Deposit date:2018-11-29
Release date:2019-02-13
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Probing initial transient oligomerization events facilitating Huntingtin fibril nucleation at atomic resolution by relaxation-based NMR.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
8D9A
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BU of 8d9a by Molmil
Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with fluorinated inhibitor 8
Descriptor: 2,3,5-trifluoro-N-hydroxybenzamide, Hdac6 protein, POTASSIUM ION, ...
Authors:Watson, P.R, Christianson, D.W.
Deposit date:2022-06-09
Release date:2022-09-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Aromatic Ring Fluorination Patterns Modulate Inhibitory Potency of Fluorophenylhydroxamates Complexed with Histone Deacetylase 6.
Biochemistry, 61, 2022
7QOY
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BU of 7qoy by Molmil
A mutant of the nitrile hydratase from Geobacillus pallidus having enhanced thermostability
Descriptor: CHLORIDE ION, COBALT (III) ION, Nitrile hydratase, ...
Authors:Van Wyk, J.C, Cowan, D.A, Danson, M.J, Tsekoa, T.L, Sayed, M.F, Sewell, B.T.
Deposit date:2021-12-29
Release date:2023-01-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:A mutant of the nitrile hydratase from Geobacillus pallidus having enhanced thermostability
To be published
5FMV
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BU of 5fmv by Molmil
Crystal structure of human CD45 extracellular region, domains d1-d4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, RECEPTOR-TYPE TYROSINE-PROTEIN PHOSPHATASE C, SULFATE ION
Authors:Chang, V.T, Fernandes, R.A, Ganzinger, K.A, Lee, S.F, Siebold, C, McColl, J, Jonsson, P, Palayret, M, Harlos, K, Coles, C.H, Jones, E.Y, Lui, Y, Huang, E, Gilbert, R.J.C, Klenerman, D, Aricescu, A.R, Davis, S.J.
Deposit date:2015-11-09
Release date:2016-03-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Initiation of T Cell Signaling by Cd45 Segregation at 'Close Contacts'.
Nat.Immunol., 17, 2016
8U3L
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BU of 8u3l by Molmil
TRPV1 in nanodisc bound with empty vanilloid binding pocket at 25C
Descriptor: 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, SODIUM ION, Transient receptor potential cation channel subfamily V member 1
Authors:Arnold, W.R, Julius, D, Cheng, Y.
Deposit date:2023-09-07
Release date:2024-05-08
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural basis of TRPV1 modulation by endogenous bioactive lipids.
Nat.Struct.Mol.Biol., 2024
4WXS
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BU of 4wxs by Molmil
Crystal Structure of the E396D SNP Variant of the Myocilin Olfactomedin Domain
Descriptor: CALCIUM ION, GLYCEROL, HEXAETHYLENE GLYCOL, ...
Authors:Donegan, R.K, Freeman, D.M, Lieberman, R.L.
Deposit date:2014-11-14
Release date:2015-04-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for misfolding in myocilin-associated glaucoma.
Hum.Mol.Genet., 24, 2015
5FN6
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BU of 5fn6 by Molmil
Crystal structure of human CD45 extracellular region, domains d1-d3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, RECEPTOR-TYPE TYROSINE-PROTEIN PHOSPHATASE C
Authors:Chang, V.T, Fernandes, R.A, Ganzinger, K.A, Lee, S.F, Siebold, C, McColl, J, Jonsson, P, Palayret, M, Harlos, K, Coles, C.H, Jones, E.Y, Lui, Y, Huang, E, Gilbert, R.J.C, Klenerman, D, Aricescu, A.R, Davis, S.J.
Deposit date:2015-11-10
Release date:2016-03-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Initiation of T Cell Signaling by Cd45 Segregation at 'Close Contacts'.
Nat.Immunol., 17, 2016
8D09
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BU of 8d09 by Molmil
Hallucinated C4 protein assembly HALC4_136
Descriptor: HALC4_136
Authors:Ragotte, R.J, Bera, A.K, Wicky, B.I.M, Milles, L.F, Baker, D.
Deposit date:2022-05-25
Release date:2022-09-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Hallucinating symmetric protein assemblies.
Science, 378, 2022
8D06
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Hallucinated C3 protein assembly HALC3_104
Descriptor: HALC3_104
Authors:Ragotte, R.J, Bera, A.K, Wicky, B.I.M, Milles, L.F, Baker, D.
Deposit date:2022-05-25
Release date:2022-09-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Hallucinating symmetric protein assemblies.
Science, 378, 2022
8D98
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BU of 8d98 by Molmil
Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with fluorinated inhibitor 5
Descriptor: 3,5-difluoro-N-hydroxybenzamide, Hdac6 protein, POTASSIUM ION, ...
Authors:Watson, P.R, Christianson, D.W.
Deposit date:2022-06-09
Release date:2022-09-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Aromatic Ring Fluorination Patterns Modulate Inhibitory Potency of Fluorophenylhydroxamates Complexed with Histone Deacetylase 6.
Biochemistry, 61, 2022
6VLM
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BU of 6vlm by Molmil
Core Catalytic Domain of HIV Integrase in complex with virtual screening hit
Descriptor: Integrase, [3-(4-chlorophenyl)[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid
Authors:Klein, D.J, Sanders, J.M.
Deposit date:2020-01-24
Release date:2020-05-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Augmenting Hit Identification by Virtual Screening Techniques in Small Molecule Drug Discovery.
J.Chem.Inf.Model., 60, 2020
8Q9I
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BU of 8q9i by Molmil
Tau - CTE-LIA6 (tau intermediate amyloid)
Descriptor: Isoform Tau-D of Microtubule-associated protein tau
Authors:Lovestam, S, Li, D, Scheres, S.H.W, Goedert, M.
Deposit date:2023-08-20
Release date:2023-09-06
Last modified:2024-01-17
Method:ELECTRON MICROSCOPY (2.56 Å)
Cite:Disease-specific tau filaments assemble via polymorphic intermediates.
Nature, 625, 2024
8CTB
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BU of 8ctb by Molmil
Human PRMT5:MEP50 structure with Fragment 3 and MTA Bound
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, 7-chloro-1-methyl-1H-benzimidazol-2-amine, Methylosome protein 50, ...
Authors:Gunn, R.J, Lawson, J.D, Smith, C.R.
Deposit date:2022-05-13
Release date:2022-10-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Fragment optimization and elaboration strategies - the discovery of two lead series of PRMT5/MTA inhibitors from five fragment hits.
Rsc Med Chem, 13, 2022
8U3J
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BU of 8u3j by Molmil
TRPV1 in nanodisc bound with empty vanilloid binding pocket at 4C
Descriptor: 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, SODIUM ION, Transient receptor potential cation channel subfamily V member 1
Authors:Arnold, W.R, Julius, D, Cheng, Y.
Deposit date:2023-09-07
Release date:2024-05-08
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural basis of TRPV1 modulation by endogenous bioactive lipids.
Nat.Struct.Mol.Biol., 2024
8QCR
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BU of 8qcr by Molmil
Tau - CTE-MIA12 (tau intermediate amyloid)
Descriptor: Isoform Tau-D of Microtubule-associated protein tau
Authors:Lovestam, S, Li, D, Scheres, S.H.W, Goedert, M.
Deposit date:2023-08-28
Release date:2023-09-06
Last modified:2024-01-17
Method:ELECTRON MICROSCOPY (2.75 Å)
Cite:Disease-specific tau filaments assemble via polymorphic intermediates.
Nature, 625, 2024
7LKH
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BU of 7lkh by Molmil
Chicken Scap D435V L1-L7 domain / Fab complex focused map
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4G10 Fab heavy chain, 4G10 Fab kappa chain, ...
Authors:Kober, D.L, Radhakrishnan, A, Goldstein, J.L, Brown, M.S, Clark, L.D, Bai, X.-C, Rosenbaum, D.M.
Deposit date:2021-02-02
Release date:2021-06-30
Last modified:2021-07-28
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Scap structures highlight key role for rotation of intertwined luminal loops in cholesterol sensing.
Cell, 184, 2021
4WX4
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BU of 4wx4 by Molmil
Crystal structure of adenovirus 8 protease in complex with a nitrile inhibitor
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCINE, N-[(2-cyanopyrimidin-4-yl)methyl]-3-[2-(3,5-dichlorophenyl)-2-methylpropanoyl]-4-methoxybenzamide, ...
Authors:Grosche, P, Sirockin, F, Mac Sweeney, A, Ramage, P, Erbel, P, Melkko, S, Bernardi, A, Hughes, N, Ellis, D, Combrink, K, Jarousse, N, Altmann, E.
Deposit date:2014-11-13
Release date:2015-01-14
Last modified:2015-01-28
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:Structure-based design and optimization of potent inhibitors of the adenoviral protease.
Bioorg.Med.Chem.Lett., 25, 2015
7LFM
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BU of 7lfm by Molmil
MODEL OF MHC CLASS Ib H2-M3 WITH MOUSE ND1 N-TERMINAL HEPTAPEPTIDE, VAL MUTANT, TRICLINIC CELL, REFINED AT 1.60 ANGSTROMS RESOLUTION
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, Heptapeptide from NADH-ubiquinone oxidoreductase chain 1, ...
Authors:Tomchick, D.R, Deisenhofer, J, Shen, S.
Deposit date:2021-01-17
Release date:2021-07-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure and dynamics of major histocompatibility class Ib molecule H2-M3 complexed with mitochondrial-derived peptides.
J.Biomol.Struct.Dyn., 40, 2022
7TT7
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BU of 7tt7 by Molmil
BamABCDE bound to substrate EspP in the barrelized EspP/continuous open BamA state
Descriptor: Maltose/maltodextrin-binding periplasmic protein,Serine protease EspP chimera, Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamC, ...
Authors:Doyle, M.T, Jimah, J.R, Dowdy, T, Ohlemacher, S.I, Larion, M, Hinshaw, J.E, Bernstein, H.D.
Deposit date:2022-01-31
Release date:2022-03-30
Last modified:2022-04-13
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Cryo-EM structures reveal multiple stages of bacterial outer membrane protein folding.
Cell, 185, 2022
7LFK
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BU of 7lfk by Molmil
MODEL OF MHC CLASS Ib H2-M3 WITH MOUSE ND1 N-TERMINAL HEPTAPEPTIDE, THR MUTANT, REFINED AT 1.60 ANGSTROMS RESOLUTION
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, Heptapeptide from NADH-ubiquinone oxidoreductase chain 1, ...
Authors:Tomchick, D.R, Deisenhofer, J, Shen, S.
Deposit date:2021-01-17
Release date:2021-07-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure and dynamics of major histocompatibility class Ib molecule H2-M3 complexed with mitochondrial-derived peptides.
J.Biomol.Struct.Dyn., 40, 2022
7TT6
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BU of 7tt6 by Molmil
BamABCDE bound to substrate EspP in the intermediate-open EspP state
Descriptor: Maltose/maltodextrin-binding periplasmic protein,Serine protease EspP chimera, Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamC, ...
Authors:Doyle, M.T, Jimah, J.R, Dowdy, T, Ohlemacher, S.I, Larion, M, Hinshaw, J.E, Bernstein, H.D.
Deposit date:2022-01-31
Release date:2022-03-30
Last modified:2022-04-13
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Cryo-EM structures reveal multiple stages of bacterial outer membrane protein folding.
Cell, 185, 2022
6HJR
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BU of 6hjr by Molmil
Structure of full-length Influenza Hemagglutinin with tilted transmembrane (A/duck/Alberta/35/76[H1N1])
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:Benton, D.J, Rosenthal, P.B.
Deposit date:2018-09-04
Release date:2018-09-26
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Influenza hemagglutinin membrane anchor.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4WZP
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BU of 4wzp by Molmil
Ser65 phosphorylated ubiquitin, major conformation
Descriptor: SULFATE ION, ubiquitin
Authors:Wauer, T, Wagstaff, J, Freund, S.M.V, Komander, D.
Deposit date:2014-11-20
Release date:2015-01-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Ubiquitin Ser65 phosphorylation affects ubiquitin structure, chain assembly and hydrolysis.
Embo J., 34, 2015

224572

数据于2024-09-04公开中

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