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PDB: 53266 件

7QOU
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A mutant of the nitrile hydratase from Geobacillus pallidus having enhanced thermostability
分子名称: CHLORIDE ION, COBALT (II) ION, MAGNESIUM ION, ...
著者Van Wyk, J.C, Cowan, D.A, Danson, M.J, Tsekoa, T.L, Sayed, M.F, Sewell, B.T.
登録日2021-12-29
公開日2023-01-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献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
分子名称: CHLORIDE ION, COBALT (III) ION, Nitrile hydratase, ...
著者Van Wyk, J.C, Cowan, D.A, Danson, M.J, Tsekoa, T.L, Sayed, M.F, Sewell, B.T.
登録日2021-12-29
公開日2023-01-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Engineering enhanced thermostability into the Geobacillus pallidus nitrile hydratase.
Curr Res Struct Biol, 4, 2022
6N8C
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Structure of the Huntingtin tetramer/dimer mixture determined by paramagnetic NMR
分子名称: Huntingtin
著者Schwieters, C.D, Kotler, S.A, Schmidt, T, Ceccon, A, Ghirlando, R, Libich, D.S, Clore, G.M.
登録日2018-11-29
公開日2019-02-13
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献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
分子名称: 2,3,5-trifluoro-N-hydroxybenzamide, Hdac6 protein, POTASSIUM ION, ...
著者Watson, P.R, Christianson, D.W.
登録日2022-06-09
公開日2022-09-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Aromatic Ring Fluorination Patterns Modulate Inhibitory Potency of Fluorophenylhydroxamates Complexed with Histone Deacetylase 6.
Biochemistry, 61, 2022
5FMV
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Crystal structure of human CD45 extracellular region, domains d1-d4
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, RECEPTOR-TYPE TYROSINE-PROTEIN PHOSPHATASE C, SULFATE ION
著者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.
登録日2015-11-09
公開日2016-03-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Initiation of T Cell Signaling by Cd45 Segregation at 'Close Contacts'.
Nat.Immunol., 17, 2016
7QOY
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A mutant of the nitrile hydratase from Geobacillus pallidus having enhanced thermostability
分子名称: CHLORIDE ION, COBALT (III) ION, Nitrile hydratase, ...
著者Van Wyk, J.C, Cowan, D.A, Danson, M.J, Tsekoa, T.L, Sayed, M.F, Sewell, B.T.
登録日2021-12-29
公開日2023-01-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献A mutant of the nitrile hydratase from Geobacillus pallidus having enhanced thermostability
To be published
4WXS
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Crystal Structure of the E396D SNP Variant of the Myocilin Olfactomedin Domain
分子名称: CALCIUM ION, GLYCEROL, HEXAETHYLENE GLYCOL, ...
著者Donegan, R.K, Freeman, D.M, Lieberman, R.L.
登録日2014-11-14
公開日2015-04-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for misfolding in myocilin-associated glaucoma.
Hum.Mol.Genet., 24, 2015
8U3L
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TRPV1 in nanodisc bound with empty vanilloid binding pocket at 25C
分子名称: 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, SODIUM ION, Transient receptor potential cation channel subfamily V member 1
著者Arnold, W.R, Julius, D, Cheng, Y.
登録日2023-09-07
公開日2024-05-08
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structural basis of TRPV1 modulation by endogenous bioactive lipids.
Nat.Struct.Mol.Biol., 2024
5FN6
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Crystal structure of human CD45 extracellular region, domains d1-d3
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, RECEPTOR-TYPE TYROSINE-PROTEIN PHOSPHATASE C
著者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.
登録日2015-11-10
公開日2016-03-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Initiation of T Cell Signaling by Cd45 Segregation at 'Close Contacts'.
Nat.Immunol., 17, 2016
8D09
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Hallucinated C4 protein assembly HALC4_136
分子名称: HALC4_136
著者Ragotte, R.J, Bera, A.K, Wicky, B.I.M, Milles, L.F, Baker, D.
登録日2022-05-25
公開日2022-09-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Hallucinating symmetric protein assemblies.
Science, 378, 2022
8D06
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Hallucinated C3 protein assembly HALC3_104
分子名称: HALC3_104
著者Ragotte, R.J, Bera, A.K, Wicky, B.I.M, Milles, L.F, Baker, D.
登録日2022-05-25
公開日2022-09-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Hallucinating symmetric protein assemblies.
Science, 378, 2022
6VLM
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BU of 6vlm by Molmil
Core Catalytic Domain of HIV Integrase in complex with virtual screening hit
分子名称: Integrase, [3-(4-chlorophenyl)[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid
著者Klein, D.J, Sanders, J.M.
登録日2020-01-24
公開日2020-05-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Augmenting Hit Identification by Virtual Screening Techniques in Small Molecule Drug Discovery.
J.Chem.Inf.Model., 60, 2020
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
分子名称: 3,5-difluoro-N-hydroxybenzamide, Hdac6 protein, POTASSIUM ION, ...
著者Watson, P.R, Christianson, D.W.
登録日2022-06-09
公開日2022-09-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Aromatic Ring Fluorination Patterns Modulate Inhibitory Potency of Fluorophenylhydroxamates Complexed with Histone Deacetylase 6.
Biochemistry, 61, 2022
8CTB
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BU of 8ctb by Molmil
Human PRMT5:MEP50 structure with Fragment 3 and MTA Bound
分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, 7-chloro-1-methyl-1H-benzimidazol-2-amine, Methylosome protein 50, ...
著者Gunn, R.J, Lawson, J.D, Smith, C.R.
登録日2022-05-13
公開日2022-10-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Fragment optimization and elaboration strategies - the discovery of two lead series of PRMT5/MTA inhibitors from five fragment hits.
Rsc Med Chem, 13, 2022
8Q9I
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BU of 8q9i by Molmil
Tau - CTE-LIA6 (tau intermediate amyloid)
分子名称: Isoform Tau-D of Microtubule-associated protein tau
著者Lovestam, S, Li, D, Scheres, S.H.W, Goedert, M.
登録日2023-08-20
公開日2023-09-06
最終更新日2024-01-17
実験手法ELECTRON MICROSCOPY (2.56 Å)
主引用文献Disease-specific tau filaments assemble via polymorphic intermediates.
Nature, 625, 2024
8U3J
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BU of 8u3j by Molmil
TRPV1 in nanodisc bound with empty vanilloid binding pocket at 4C
分子名称: 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, SODIUM ION, Transient receptor potential cation channel subfamily V member 1
著者Arnold, W.R, Julius, D, Cheng, Y.
登録日2023-09-07
公開日2024-05-08
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献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)
分子名称: Isoform Tau-D of Microtubule-associated protein tau
著者Lovestam, S, Li, D, Scheres, S.H.W, Goedert, M.
登録日2023-08-28
公開日2023-09-06
最終更新日2024-01-17
実験手法ELECTRON MICROSCOPY (2.75 Å)
主引用文献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
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4G10 Fab heavy chain, 4G10 Fab kappa chain, ...
著者Kober, D.L, Radhakrishnan, A, Goldstein, J.L, Brown, M.S, Clark, L.D, Bai, X.-C, Rosenbaum, D.M.
登録日2021-02-02
公開日2021-06-30
最終更新日2021-07-28
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献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
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCINE, N-[(2-cyanopyrimidin-4-yl)methyl]-3-[2-(3,5-dichlorophenyl)-2-methylpropanoyl]-4-methoxybenzamide, ...
著者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.
登録日2014-11-13
公開日2015-01-14
最終更新日2015-01-28
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献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
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, Heptapeptide from NADH-ubiquinone oxidoreductase chain 1, ...
著者Tomchick, D.R, Deisenhofer, J, Shen, S.
登録日2021-01-17
公開日2021-07-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献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
分子名称: Maltose/maltodextrin-binding periplasmic protein,Serine protease EspP chimera, Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamC, ...
著者Doyle, M.T, Jimah, J.R, Dowdy, T, Ohlemacher, S.I, Larion, M, Hinshaw, J.E, Bernstein, H.D.
登録日2022-01-31
公開日2022-03-30
最終更新日2022-04-13
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献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
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, Heptapeptide from NADH-ubiquinone oxidoreductase chain 1, ...
著者Tomchick, D.R, Deisenhofer, J, Shen, S.
登録日2021-01-17
公開日2021-07-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献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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BamABCDE bound to substrate EspP in the intermediate-open EspP state
分子名称: Maltose/maltodextrin-binding periplasmic protein,Serine protease EspP chimera, Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamC, ...
著者Doyle, M.T, Jimah, J.R, Dowdy, T, Ohlemacher, S.I, Larion, M, Hinshaw, J.E, Bernstein, H.D.
登録日2022-01-31
公開日2022-03-30
最終更新日2022-04-13
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Cryo-EM structures reveal multiple stages of bacterial outer membrane protein folding.
Cell, 185, 2022
6FS1
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BU of 6fs1 by Molmil
MCL1 in complex with an indole acid ligand
分子名称: 1,2-ETHANEDIOL, 7-[3-[(1,5-dimethylpyrazol-3-yl)methylsulfanylmethyl]-1,5-dimethyl-pyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Kasmirski, S, Hargreaves, D.
登録日2018-02-18
公開日2018-12-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of Mcl-1-specific inhibitor AZD5991 and preclinical activity in multiple myeloma and acute myeloid leukemia.
Nat Commun, 9, 2018
4WZP
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BU of 4wzp by Molmil
Ser65 phosphorylated ubiquitin, major conformation
分子名称: SULFATE ION, ubiquitin
著者Wauer, T, Wagstaff, J, Freund, S.M.V, Komander, D.
登録日2014-11-20
公開日2015-01-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Ubiquitin Ser65 phosphorylation affects ubiquitin structure, chain assembly and hydrolysis.
Embo J., 34, 2015

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件を2024-09-04に公開中

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