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6VMX
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BU of 6vmx by Molmil
Structure of HD14 TCR in complex with HLA-B7 presenting an EBV epitope
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ...
著者Farenc, C, Rossjohn, J, Gras, S.
登録日2020-01-28
公開日2020-07-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献A Shared TCR Bias toward an Immunogenic EBV Epitope Dominates in HLA-B*07:02-Expressing Individuals.
J Immunol., 205, 2020
6VJJ
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BU of 6vjj by Molmil
Crystal Structure of wild-type KRAS4b (GMPPNP-bound) in complex with RAS-binding domain (RBD) of RAF1/CRAF
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Tran, T.H, Dharmaiah, S, Simanshu, D.K.
登録日2020-01-16
公開日2020-11-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献KRAS interaction with RAF1 RAS-binding domain and cysteine-rich domain provides insights into RAS-mediated RAF activation.
Nat Commun, 12, 2021
6WL7
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BU of 6wl7 by Molmil
Cryo-EM of Form 2 like peptide filament, 29-20-2
分子名称: peptide 29-20-2
著者Wang, F, Gnewou, O.M, Modlin, C, Egelman, E.H, Conticello, V.P.
登録日2020-04-18
公開日2020-12-02
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural analysis of cross alpha-helical nanotubes provides insight into the designability of filamentous peptide nanomaterials.
Nat Commun, 12, 2021
6WKX
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BU of 6wkx by Molmil
Cryo-EM of Form 1 related peptide filament, 15-10-3
分子名称: peptide 15-10-3
著者Wang, F, Gnewou, O.M, Egelman, E.H, Conticello, V.P.
登録日2020-04-17
公開日2020-12-02
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Structural analysis of cross alpha-helical nanotubes provides insight into the designability of filamentous peptide nanomaterials.
Nat Commun, 12, 2021
6WL1
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BU of 6wl1 by Molmil
Cryo-EM of Form 1 related peptide filament, 36-31-3
分子名称: peptide 36-31-3
著者Wang, F, Gnewou, O.M, Modlin, C, Egelman, E.H, Conticello, V.P.
登録日2020-04-17
公開日2020-12-02
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structural analysis of cross alpha-helical nanotubes provides insight into the designability of filamentous peptide nanomaterials.
Nat Commun, 12, 2021
6WL8
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BU of 6wl8 by Molmil
Cryo-EM of Form 2 peptide filament
分子名称: Form 2 peptide
著者Wang, F, Gnewou, O.M, Xu, C, Su, Z, Egelman, E.H, Conticello, V.P.
登録日2020-04-18
公開日2020-12-02
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Structural analysis of cross alpha-helical nanotubes provides insight into the designability of filamentous peptide nanomaterials.
Nat Commun, 12, 2021
8EGZ
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BU of 8egz by Molmil
Engineered tyrosine synthase (TmTyrS1) derived from T. maritima TrpB with Ser bound as the amino-acrylate intermediate
分子名称: 1,2-ETHANEDIOL, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, POTASSIUM ION, ...
著者Porter, N.J, Almhjell, P.J, Arnold, F.H.
登録日2022-09-13
公開日2023-10-04
最終更新日2024-08-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The beta-subunit of tryptophan synthase is a latent tyrosine synthase.
Nat.Chem.Biol., 20, 2024
8EH0
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BU of 8eh0 by Molmil
Engineered tyrosine synthase (TmTyrS1) derived from T. maritima TrpB with Ser bound as the amino-acrylate intermediate and complexed with quinoline N-oxide
分子名称: 1,2-ETHANEDIOL, 1-oxo-1lambda~5~-quinoline, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, ...
著者Porter, N.J, Almhjell, P.J, Arnold, F.H.
登録日2022-09-13
公開日2023-10-04
最終更新日2024-08-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The beta-subunit of tryptophan synthase is a latent tyrosine synthase.
Nat.Chem.Biol., 20, 2024
8EH1
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BU of 8eh1 by Molmil
Engineered tyrosine synthase (TmTyrS1) derived from T. maritima TrpB with Ser bound as the amino-acrylate intermediate and complexed with 4-hydroxyquinoline
分子名称: 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, Engineered tyrosine synthase (TmTyrS1), POTASSIUM ION, ...
著者Porter, N.J, Almhjell, P.J, Arnold, F.H.
登録日2022-09-13
公開日2023-10-04
最終更新日2024-08-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The beta-subunit of tryptophan synthase is a latent tyrosine synthase.
Nat.Chem.Biol., 20, 2024
8EGY
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BU of 8egy by Molmil
Engineered holo tyrosine synthase (TmTyrS1) derived from T. maritima TrpB
分子名称: 1,2-ETHANEDIOL, PHOSPHATE ION, POTASSIUM ION, ...
著者Porter, N.J, Almhjell, P.J, Arnold, F.H.
登録日2022-09-13
公開日2023-10-04
最終更新日2024-08-14
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献The beta-subunit of tryptophan synthase is a latent tyrosine synthase.
Nat.Chem.Biol., 20, 2024
4QKO
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BU of 4qko by Molmil
The Crystal Structure of the Pyocin S2 Nuclease Domain, Immunity Protein Complex at 1.8 Angstroms
分子名称: BROMIDE ION, MAGNESIUM ION, Pyocin-S2, ...
著者Grinter, R, Josts, I, Roszak, A.W, Cogdell, C.J, Walker, D.
登録日2014-06-07
公開日2015-06-10
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Insights into pyocin S2
To be Published
6EX5
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BU of 6ex5 by Molmil
Staphylococcus aureus triple mutant of superoxide dismutase SodM
分子名称: MANGANESE (II) ION, Superoxide dismutase
著者Barwinska-Sendra, A, Basle, A, Waldron, K.
登録日2017-11-07
公開日2018-11-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献An evolutionary path to altered cofactor specificity in a metalloenzyme
Nat Commun, 2020
6EX3
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BU of 6ex3 by Molmil
Staphylococcus aureus superoxide dismutase SodA
分子名称: FE (III) ION, Superoxide dismutase
著者Barwinska-Sendra, A, Basle, A, Waldron, K.
登録日2017-11-07
公開日2018-11-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献An evolutionary path to altered cofactor specificity in a metalloenzyme
Nat Commun, 2020
6EYE
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BU of 6eye by Molmil
Crystal structure of murine neuroglobin under 150 bar krypton
分子名称: KRYPTON, Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Prange, T, Colloc'h, N, Carpentier, P.
登録日2017-11-12
公開日2017-11-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Mapping Hydrophobic Tunnels and Cavities in Neuroglobin with Noble Gas under Pressure.
Biophys. J., 113, 2017
8G1N
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BU of 8g1n by Molmil
Structure of Campylobacter concisus PglC I57M/Q175M Variant with modeled C-terminus
分子名称: DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, MAGNESIUM ION, N,N'-diacetylbacilliosaminyl-1-phosphate transferase, ...
著者Dodge, G.J, Ray, L.C, Das, D, Imperiali, B, Allen, K.N.
登録日2023-02-02
公開日2023-05-31
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Co-conserved sequence motifs are predictive of substrate specificity in a family of monotopic phosphoglycosyl transferases.
Protein Sci., 32, 2023
6EX4
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BU of 6ex4 by Molmil
Staphylococcus aureus cambialistic superoxide dismutase SodM
分子名称: FE (III) ION, Superoxide dismutase
著者Barwinska-Sendra, A, Basle, A, Waldron, K.
登録日2017-11-07
公開日2018-11-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献An evolutionary path to altered cofactor specificity in a metalloenzyme
Nat Commun, 2020
4RHP
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BU of 4rhp by Molmil
Crystal structure of human COQ9 in complex with a phospholipid, Northeast Structural Genomics Consortium Target HR5043
分子名称: DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, Ubiquinone biosynthesis protein COQ9, mitochondrial
著者Forouhar, F, Lew, S, Seetharaman, J, Wang, H, Lee, D, Kogan, S, Maglaqui, M, Xiao, R, Everett, J.K, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG), Mitochondrial Protein Partnership (MPP)
登録日2014-10-02
公開日2014-10-22
最終更新日2019-08-14
実験手法X-RAY DIFFRACTION (2.393 Å)
主引用文献Mitochondrial COQ9 is a lipid-binding protein that associates with COQ7 to enable coenzyme Q biosynthesis.
Proc.Natl.Acad.Sci.USA, 111, 2014
4PP9
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BU of 4pp9 by Molmil
ITK kinase domain with compound 1 (N-[1-(3-CYANOBENZYL)-1H-PYRAZOL-4-YL]-2H-INDAZOLE-3-CARBOXAMIDE)
分子名称: N-[1-(3-cyanobenzyl)-1H-pyrazol-4-yl]-2H-indazole-3-carboxamide, SULFATE ION, Tyrosine-protein kinase ITK/TSK
著者Eigenbrot, C, Shia, S.
登録日2014-02-26
公開日2014-06-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Discovery and optimization of indazoles as potent and selective interleukin-2 inducible T cell kinase (ITK) inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
6G4Z
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BU of 6g4z by Molmil
Crystal structure of murine NF-kappaB inducing kinase (NIK) in complex with compound 2f
分子名称: 5-fluoranyl-1-[4-[2-[(3~{R})-1-methyl-3-oxidanyl-2-oxidanylidene-pyrrol-3-yl]ethynyl]pyridin-2-yl]indazole-3-carboxamide, Mitogen-activated protein kinase kinase kinase 14
著者Leonardo-Silvestre, H, McEwan, P.A, Hymowitz, S.G.
登録日2018-03-28
公開日2018-07-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Scaffold-Hopping Approach To Discover Potent, Selective, and Efficacious Inhibitors of NF-kappa B Inducing Kinase.
J. Med. Chem., 61, 2018
6GYI
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BU of 6gyi by Molmil
Azurin fom Pseudomonas aeruginosa treated with hydrosulfide
分子名称: Azurin, CALCIUM ION, COPPER (II) ION
著者Palm, G.J, Kohlhause, D.
登録日2018-06-29
公開日2019-01-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Azurin and HS-: towards implementation of a sensor for HS-detection.
Eur J Inorg Chem, 2019
6G4Y
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BU of 6g4y by Molmil
Crystal structure of murine NF-kappaB inducing kinase (NIK) in complex with compound 1a
分子名称: 10-[2-[(3~{R})-1-methyl-3-oxidanyl-2-oxidanylidene-pyrrolidin-3-yl]ethynyl]-~{N}3-(oxan-4-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2,3-dicarboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION
著者Hole, A.J, Hymowitz, S.G, McEwan, P.A.
登録日2018-03-28
公開日2018-07-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Scaffold-Hopping Approach To Discover Potent, Selective, and Efficacious Inhibitors of NF-kappa B Inducing Kinase.
J. Med. Chem., 61, 2018
4PPB
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BU of 4ppb by Molmil
ITK kinase domain with compound 28 (N-{1-[(1S)-3-(DIMETHYLAMINO)-1-PHENYLPROPYL]-1H-PYRAZOL-4-YL}-6-(1H-PYRAZOL-4-YL)-1H-INDAZOLE-3-CARBOXAMIDE)
分子名称: N-{1-[(1S)-3-(dimethylamino)-1-phenylpropyl]-1H-pyrazol-4-yl}-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
著者Eigenbrot, C, Shia, S.
登録日2014-02-26
公開日2014-06-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Discovery and optimization of indazoles as potent and selective interleukin-2 inducible T cell kinase (ITK) inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4PPC
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BU of 4ppc by Molmil
ITK kinase domain with compound 27 (N-{1-[(1R)-3-(DIMETHYLAMINO)-1-PHENYLPROPYL]-1H-PYRAZOL-4-YL}-6-(1H-PYRAZOL-4-YL)-1H-INDAZOLE-3-CARBOXAMIDE)
分子名称: N-{1-[(1R)-3-(dimethylamino)-1-phenylpropyl]-1H-pyrazol-4-yl}-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
著者Eigenbrot, C, Shia, S.
登録日2014-02-26
公開日2014-06-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Discovery and optimization of indazoles as potent and selective interleukin-2 inducible T cell kinase (ITK) inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4PPA
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BU of 4ppa by Molmil
ITK kinase domain with compound 11 (N-[1-(3-CYANOBENZYL)-1H-PYRAZOL-4-YL]-6-(1H-PYRAZOL-4-YL)-1H-INDAZOLE-3-CARBOXAMIDE)
分子名称: N-[1-(3-cyanobenzyl)-1H-pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
著者Eigenbrot, C, Shia, S.
登録日2014-02-26
公開日2014-06-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Discovery and optimization of indazoles as potent and selective interleukin-2 inducible T cell kinase (ITK) inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4P27
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BU of 4p27 by Molmil
Structure of Schistosoma mansoni venom allergen-like protein 4 (SmVAL4)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Venom allergen-like (VAL) 4 protein
著者Asojo, O.A.
登録日2014-03-02
公開日2014-08-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Schistosoma mansoni venom allergen-like protein 4 (SmVAL4) is a novel lipid-binding SCP/TAPS protein that lacks the prototypical CAP motifs.
Acta Crystallogr.,Sect.D, 70, 2014

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件を2024-08-14に公開中

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