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7P4B
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HLA-E*01:03 in complex with IL9
分子名称: Beta-2-microglobulin, ESAT-6-like protein EsxH, GLYCEROL, ...
著者Walters, L.C, Gillespie, G.M.
登録日2021-07-10
公開日2022-07-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Primary and secondary functions of HLA-E are determined by stability and conformation of the peptide-bound complexes.
Cell Rep, 39, 2022
7PA0
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BU of 7pa0 by Molmil
NaK C-DI F92A mutant with Rb+ and K+
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein, ...
著者Minniberger, S, Plested, A.J.R.
登録日2021-07-28
公開日2022-08-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors.
J.Mol.Biol., 435, 2023
7OPH
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NaK S-DI mutant with Na+ and K+
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ...
著者Minniberger, S, Plested, A.J.R.
登録日2021-05-31
公開日2022-06-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors.
J.Mol.Biol., 435, 2023
7OOR
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NaK C-DI mutant with Na+ and K+
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ...
著者Minniberger, S, Plested, A.J.R.
登録日2021-05-28
公開日2022-06-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors.
J.Mol.Biol., 435, 2023
7OOU
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NaK C-DI mutant with Li+ and K+
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ...
著者Minniberger, S, Plested, A.J.R.
登録日2021-05-28
公開日2022-06-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors.
J.Mol.Biol., 435, 2023
7P49
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HLA-E*01:03 in complex with Mtb14
分子名称: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
著者Walters, L.C, Gillespie, G.M.
登録日2021-07-10
公開日2022-06-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Primary and secondary functions of HLA-E are determined by stability and conformation of the peptide-bound complexes.
Cell Rep, 39, 2022
7OQ1
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BU of 7oq1 by Molmil
NaK S-ELM mutant with Na+ and K+
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ...
著者Minniberger, S, Plested, A.J.R.
登録日2021-06-02
公開日2022-06-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors.
J.Mol.Biol., 435, 2023
7OQ2
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NaK S-DI mutant soaked in Na+
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, POTASSIUM ION, ...
著者Minniberger, S, Plested, A.J.R.
登録日2021-06-02
公開日2022-06-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors.
J.Mol.Biol., 435, 2023
3F4M
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BU of 3f4m by Molmil
Crystal structure of TIPE2
分子名称: CHLORIDE ION, Tumor necrosis factor, alpha-induced protein 8-like protein 2
著者Zhang, X, Wang, J, Shi, Y.
登録日2008-11-01
公開日2009-03-17
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.696 Å)
主引用文献Crystal structure of TIPE2 provides insights into immune homeostasis
Nat.Struct.Mol.Biol., 16, 2009
3HH8
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BU of 3hh8 by Molmil
Crystal Structure and metal binding properties of the lipoprotein MtsA
分子名称: FE (III) ION, Metal ABC transporter substrate-binding lipoprotein
著者Baker, E.N, Baker, H.M, Sun, X, Ye, Q.-Y.
登録日2009-05-15
公開日2009-06-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Crystal structure and metal binding properties of the lipoprotein MtsA, responsible for iron transport in Streptococcus pyogenes.
Biochemistry, 48, 2009
7W0G
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BU of 7w0g by Molmil
Human PPAR delta ligand binding domain in complex with a synthetic agonist H11
分子名称: 2-[2,6-dimethyl-4-[[5-oxidanylidene-4-[4-(trifluoromethyloxy)phenyl]-1,2,4-triazol-1-yl]methyl]phenoxy]-2-methyl-propanoic acid, Peroxisome proliferator-activated receptor delta
著者Dai, L, Sun, H.B, Yuan, H.L, Feng, Z.Q.
登録日2021-11-18
公開日2022-02-02
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.443 Å)
主引用文献Design, Synthesis, and Biological Evaluation of Triazolone Derivatives as Potent PPAR alpha / delta Dual Agonists for the Treatment of Nonalcoholic Steatohepatitis.
J.Med.Chem., 65, 2022
7KXD
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BU of 7kxd by Molmil
CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH {3,5-DICHLORO-4-[4-METHOXY-3-(PROPAN-2-YL)PHENOXY]PHENYL}METHANOL
分子名称: Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1 peptide chimera, {3,5-dichloro-4-[4-methoxy-3-(propan-2-yl)phenoxy]phenyl}methanol
著者Sack, J.
登録日2020-12-03
公開日2021-01-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.624 Å)
主引用文献Substituted diaryl ether compounds as retinoic acid-related orphan Receptor-gamma t (ROR gamma t) agonists.
Bioorg.Med.Chem.Lett., 35, 2021
7KXE
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BU of 7kxe by Molmil
CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH {3,5-DICHLORO-4-[4-METHOXY-3-(PROPAN-2-YL)PHENOXY]PHENYL}METHANOL
分子名称: N-{3,5-dichloro-4-[4-methoxy-3-(propan-2-yl)phenoxy]phenyl}-2-(pyridin-3-yl)acetamide, Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1 chimera
著者Sack, J.
登録日2020-12-03
公開日2021-01-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Substituted diaryl ether compounds as retinoic acid-related orphan Receptor-gamma t (ROR gamma t) agonists.
Bioorg.Med.Chem.Lett., 35, 2021
7KXF
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BU of 7kxf by Molmil
CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH {3,5-DICHLORO-4-[4-METHOXY-3-(PROPAN-2-YL)PHENOXY]PHENYL}METHANOL
分子名称: N-(3,5-dichloro-4-{[6-methoxy-5-(propan-2-yl)pyridin-3-yl]oxy}phenyl)-2-[1-(methylsulfonyl)piperidin-4-yl]acetamide, Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1 chimera
著者Sack, J.
登録日2020-12-03
公開日2021-01-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.141 Å)
主引用文献Substituted diaryl ether compounds as retinoic acid-related orphan Receptor-gamma t (ROR gamma t) agonists.
Bioorg.Med.Chem.Lett., 35, 2021
5B5R
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BU of 5b5r by Molmil
Crystal structure of GSDMA3
分子名称: Gasdermin-A3
著者Ding, J, Shao, F.
登録日2016-05-14
公開日2016-06-15
最終更新日2017-09-27
実験手法X-RAY DIFFRACTION (1.902 Å)
主引用文献Pore-forming activity and structural autoinhibition of the gasdermin family.
Nature, 535, 2016
8JBJ
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BU of 8jbj by Molmil
Crystal structure of anti-PVRIG Fab
分子名称: antibody heavy chain, antibody light chain
著者Sun, J, Li, X.L, Song, J.
登録日2023-05-09
公開日2023-06-21
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Identification and characterization of an unexpected isomerization motif in CDRH2 that affects antibody activity.
Mabs, 15, 2023
6R5F
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BU of 6r5f by Molmil
Crystal structure of RIP1 kinase in complex with DHP77
分子名称: Receptor-interacting serine/threonine-protein kinase 1, [(5~{S})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone
著者Thorpe, J.H, Campobasso, N, Harris, P.A.
登録日2019-03-25
公開日2019-05-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Discovery and Lead-Optimization of 4,5-Dihydropyrazoles as Mono-Kinase Selective, Orally Bioavailable and Efficacious Inhibitors of Receptor Interacting Protein 1 (RIP1) Kinase.
J.Med.Chem., 62, 2019
8COI
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BU of 8coi by Molmil
Human adenovirus-derived synthetic ADDobody binder
分子名称: ADDobody
著者Buzas, D, Toelzer, C, Gupta, K, Berger-Schaffitzel, C, Berger, I.
登録日2023-02-28
公開日2023-12-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.17 Å)
主引用文献Engineering the ADDobody protein scaffold for generation of high-avidity ADDomer super-binders.
Structure, 32, 2024
8H3G
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BU of 8h3g by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) E166V Mutant in Complex with Inhibitor Enstrelvir
分子名称: 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, GLYCEROL
著者Wang, H, Lin, M, Duan, Y, Zhang, X, Zhou, H, Bian, Q, Liu, X, Rao, Z, Yang, H.
登録日2022-10-08
公開日2023-10-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
8H3L
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Crystal Structure of SARS-CoV-2 Main Protease (Mpro) Double Mutant (T21I and E166V) in Complex with Inhibitor Enstrelvir
分子名称: 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
著者Wang, H, Lin, M, Duan, Y, Zhang, X, Zhou, H, Bian, Q, Liu, X, Rao, Z, Yang, H.
登録日2022-10-08
公開日2023-10-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
8H3K
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Crystal Structure of SARS-CoV-2 Main Protease (Mpro) Double Mutant (L50F and E166V) in Complex with Inhibitor Enstrelvir
分子名称: 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM, 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, ...
著者Wang, H, Lin, M, Duan, Y, Zhang, X, Zhou, H, Bian, Q, Liu, X, Rao, Z, Yang, H.
登録日2022-10-08
公開日2023-10-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
2JW2
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Validation of inter-helical orientation of the steril-alpha-motif of human deleted in liver cancer 2 by residual dipolar couplings
分子名称: StAR-related lipid transfer protein 13
著者Li, H, Sze, K, Fung, K.
登録日2007-10-03
公開日2008-10-21
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Validation of inter-helical orientation of the steril-alpha-motif of human deleted in liver cancer 2 by residual dipolar couplings
To be Published
2KDX
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Solution structure of HypA protein
分子名称: Hydrogenase/urease nickel incorporation protein hypA, ZINC ION
著者Xia, W, Li, H, Sze, K.-H.
登録日2009-01-20
公開日2009-10-20
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure of a nickel chaperone, HypA, from Helicobacter pylori reveals two distinct metal binding sites
J.Am.Chem.Soc., 131, 2009
8H57
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Crystal Structure of SARS-CoV-2 Main Protease (Mpro) A193P Mutant in Complex with Inhibitor Nirmatrelvir
分子名称: (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
著者Lin, M, Liu, X.
登録日2022-10-12
公開日2023-10-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
8H4Y
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Crystal Structure of SARS-CoV-2 Main Protease (Mpro) F140L Mutant in Complex with Inhibitor Nirmatrelvir
分子名称: (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
著者Lin, M, Liu, X.
登録日2022-10-11
公開日2023-10-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023

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