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8KH6
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Crystal structure of FGFR4 kinase domain with 8r
分子名称: 1,2-ETHANEDIOL, 1-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-3-[5-bromanyl-6-(hydroxymethyl)-3-methoxy-pyridin-2-yl]urea, Fibroblast growth factor receptor 4, ...
著者Lin, Q.M, Chen, X.J, Chen, Y.H.
登録日2023-08-21
公開日2024-07-31
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Discovery of 6-Formylpyridyl Urea Derivatives as Potent Reversible-Covalent Fibroblast Growth Factor Receptor 4 Inhibitors with Improved Anti-Hepatocellular Carcinoma Activity.
J.Med.Chem., 67, 2024
8KH9
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Crystal structure of FGFR4(V550M) kinase domain with 8z
分子名称: 1,2-ETHANEDIOL, 1-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-3-[6-methanoyl-5-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3-(2-morpholin-4-ylethoxy)pyridin-2-yl]urea, Fibroblast growth factor receptor 4, ...
著者Lin, Q.M, Chen, X.J, Chen, Y.H.
登録日2023-08-21
公開日2024-07-31
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Discovery of 6-Formylpyridyl Urea Derivatives as Potent Reversible-Covalent Fibroblast Growth Factor Receptor 4 Inhibitors with Improved Anti-Hepatocellular Carcinoma Activity.
J.Med.Chem., 67, 2024
8KH7
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Crystal structure of FGFR4 kinase domain with 8zc
分子名称: 1,2-ETHANEDIOL, 1-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-3-[6-methanoyl-5-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3-(2-morpholin-4-ylethoxy)pyridin-2-yl]urea, Fibroblast growth factor receptor 4, ...
著者Lin, Q.M, Chen, X.J, Chen, Y.H.
登録日2023-08-21
公開日2024-07-31
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Discovery of 6-Formylpyridyl Urea Derivatives as Potent Reversible-Covalent Fibroblast Growth Factor Receptor 4 Inhibitors with Improved Anti-Hepatocellular Carcinoma Activity.
J.Med.Chem., 67, 2024
6CCG
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BU of 6ccg by Molmil
Crystal structure MBD3 MBD domain in complex with methylated CpG DNA
分子名称: DNA, Methyl-CpG-binding domain protein 3, UNKNOWN ATOM OR ION
著者Liu, K, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2018-02-07
公開日2018-05-09
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural analyses reveal that MBD3 is a methylated CG binder.
Febs J., 286, 2019
8KH8
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Crystal structure of FGFR4(V550L) kinase domain with 8z
分子名称: 1,2-ETHANEDIOL, 1-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-3-[6-methanoyl-5-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3-(2-morpholin-4-ylethoxy)pyridin-2-yl]urea, Fibroblast growth factor receptor 4, ...
著者Lin, Q.M, Chen, X.J, Chen, Y.H.
登録日2023-08-21
公開日2024-07-31
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Discovery of 6-Formylpyridyl Urea Derivatives as Potent Reversible-Covalent Fibroblast Growth Factor Receptor 4 Inhibitors with Improved Anti-Hepatocellular Carcinoma Activity.
J.Med.Chem., 67, 2024
4IME
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BU of 4ime by Molmil
Crystal Structure of Pasteurella multocida N-Acetyl-D-Neuraminic acid lyase K164A Mutant
分子名称: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 1-ETHOXY-2-(2-METHOXYETHOXY)ETHANE, N-acetylneuraminate lyase
著者Fisher, A.J, Huynh, N.
登録日2013-01-02
公開日2013-11-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural Basis for Substrate Specificity and Mechanism of N-Acetyl-d-neuraminic Acid Lyase from Pasteurella multocida.
Biochemistry, 52, 2013
4IMG
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Crystal Structure of Pasteurella multocida N-Acetyl-D-Neuraminic acid lyase K164 mutant complexed with N-Glycolylneuraminic acid
分子名称: 1-ETHOXY-2-(2-METHOXYETHOXY)ETHANE, 3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-D-galacto-non-2-ulosonic acid, N-acetylneuraminate lyase
著者Fisher, A.J, Huynh, N.
登録日2013-01-02
公開日2013-11-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural Basis for Substrate Specificity and Mechanism of N-Acetyl-d-neuraminic Acid Lyase from Pasteurella multocida.
Biochemistry, 52, 2013
6CKJ
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N. meningitidis CMP-sialic acid synthetase, ligand-free
分子名称: ACETATE ION, CALCIUM ION, N-acylneuraminate cytidylyltransferase
著者Matthews, M.M, Fisher, A.J, Chen, X.
登録日2018-02-28
公開日2019-03-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Catalytic Cycle ofNeisseria meningitidisCMP-Sialic Acid Synthetase Illustrated by High-Resolution Protein Crystallography.
Biochemistry, 2019
6CKL
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N. meningitidis CMP-sialic acid synthetase in the presence of CMP and Neu5Ac2en
分子名称: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, CHLORIDE ION, CITRATE ANION, ...
著者Matthews, M.M, Fisher, A.J, Chen, X.
登録日2018-02-28
公開日2019-03-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.684 Å)
主引用文献Catalytic Cycle ofNeisseria meningitidisCMP-Sialic Acid Synthetase Illustrated by High-Resolution Protein Crystallography.
Biochemistry, 2019
7Y75
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SIT1-ACE2-BA.2 RBD
分子名称: 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Shen, Y.P, Li, Y.N, Zhang, Y.Y, Yan, R.H.
登録日2022-06-21
公開日2022-11-30
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structures of ACE2-SIT1 recognized by Omicron variants of SARS-CoV-2.
Cell Discov, 8, 2022
7Y76
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SIT1-ACE2-BA.5 RBD
分子名称: 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Shen, Y.P, Li, Y.N, Zhang, Y.Y, Yan, R.H.
登録日2022-06-21
公開日2023-01-04
最終更新日2023-02-08
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structures of ACE2-SIT1 recognized by Omicron variants of SARS-CoV-2.
Cell Discov, 8, 2022
4JFH
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High Affinity alpha24-beta17 T Cell Receptor for A2 HLA-Melanoma peptide complex
分子名称: 1,2-ETHANEDIOL, GLYCEROL, SULFATE ION, ...
著者Rizkallah, P.J, Cole, D.K, Madura, F, Sewell, A.K.
登録日2013-02-28
公開日2013-05-29
最終更新日2013-07-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献T-cell receptor specificity maintained by altered thermodynamics.
J.Biol.Chem., 288, 2013
4JFP
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A2 HLA complex with G4A heteroclitic variant of Melanoma peptide
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-2-microglobulin, ...
著者Rizkallah, P.J, Cole, D.K, Madura, F, Sewell, A.K.
登録日2013-02-28
公開日2013-05-29
最終更新日2013-07-17
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献T-cell receptor specificity maintained by altered thermodynamics.
J.Biol.Chem., 288, 2013
4JFO
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A2 HLA complex with E1A heteroclitic variant of Melanoma peptide
分子名称: Beta-2-microglobulin, E1A heteroclitic Melanoma peptide, GLYCEROL, ...
著者Rizkallah, P.J, Cole, D.K, Madura, F, Sewell, A.K, Baker, B.M.
登録日2013-02-28
公開日2013-05-29
最終更新日2013-07-17
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献T-cell receptor specificity maintained by altered thermodynamics.
J.Biol.Chem., 288, 2013
4JFD
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Preservation of peptide specificity during TCR-MHC contact dominated affinity enhancement of a melanoma-specific TCR
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ...
著者Rizkallah, P.J, Cole, D.K, Madura, F, Sewell, A.K.
登録日2013-02-28
公開日2013-05-29
最終更新日2013-07-17
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献T-cell receptor specificity maintained by altered thermodynamics.
J.Biol.Chem., 288, 2013
4JFF
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Preservation of peptide specificity during TCR-MHC contact dominated affinity enhancement of a melanoma-specific TCR
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
著者Rizkallah, P.J, Cole, D.K, Madura, F, Sewell, A.K.
登録日2013-02-28
公開日2013-05-29
最終更新日2014-04-02
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献T-cell receptor specificity maintained by altered thermodynamics.
J.Biol.Chem., 288, 2013
4JFQ
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A2 HLA complex with L8A heteroclitic variant of Melanoma peptide
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-2-microglobulin, GLYCEROL, ...
著者Rizkallah, P.J, Cole, D.K, Madura, F, Sewell, A.K, Baker, B.M.
登録日2013-02-28
公開日2013-05-29
最終更新日2013-07-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献T-cell receptor specificity maintained by altered thermodynamics.
J.Biol.Chem., 288, 2013
4JFE
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BU of 4jfe by Molmil
Preservation of peptide specificity during TCR-MHC contact dominated affinity enhancement of a melanoma-specific TCR
分子名称: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
著者Rizkallah, P.J, Cole, D.K, Madura, F, Sewell, A.K.
登録日2013-02-28
公開日2013-05-29
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献T-cell receptor specificity maintained by altered thermodynamics.
J.Biol.Chem., 288, 2013
7D6H
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BU of 7d6h by Molmil
Crystal structure of the SARS-CoV-2 papain-like protease (PLPro) C112S mutant
分子名称: PHOSPHATE ION, Papain-like protease, ZINC ION
著者Liu, J, Wang, Y, Pan, L.
登録日2020-09-30
公開日2020-11-04
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Development of potent and selective inhibitors targeting the papain-like protease of SARS-CoV-2.
Cell Chem Biol, 28, 2021
7DBG
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Yeast CRM1e (apo) in complex with Ran-RanBP1
分子名称: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, CRM1 isoform 1, ...
著者Sun, Q, Lei, Y.
登録日2020-10-20
公開日2021-09-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Novel Mechanistic Observations and NES-Binding Groove Features Revealed by the CRM1 Inhibitors Plumbagin and Oridonin.
J.Nat.Prod., 84, 2021
8UR6
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Cryo-EM reconstruction of Staphylococcus aureus oleate hydratase (OhyA) dimer with a disordered C-terminal membrane-association domain
分子名称: Oleate hydratase
著者Oldham, M.L, Qayyum, M.Z.
登録日2023-10-25
公開日2024-01-10
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (3.03 Å)
主引用文献The carboxy terminus causes interfacial assembly of oleate hydratase on a membrane bilayer.
J.Biol.Chem., 300, 2024
8UR3
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Cryo-EM reconstruction of Staphylococcus aureus Oleate hydratase (OhyA) dimer with an ordered C-terminal membrane-association domain
分子名称: Oleate hydratase
著者Oldham, M.L, Qayyum, M.Z.
登録日2023-10-25
公開日2024-01-10
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (2.61 Å)
主引用文献The carboxy terminus causes interfacial assembly of oleate hydratase on a membrane bilayer.
J.Biol.Chem., 300, 2024
8JC5
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Crystal structure of PLEKHM1 RUN domain in complex with GTP-bound Arl8b(Q75L)
分子名称: ADP-ribosylation factor-like protein 8B, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Qiu, X.H, Pan, L.F.
登録日2023-05-10
公開日2024-03-27
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Mechanistic Insights into the Interactions of Arl8b with the RUN Domains of PLEKHM1 and SKIP.
J.Mol.Biol., 435, 2023
8JCA
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Cyrstal structure of SKIP RUN domain in complex with GTP-bound Arl8b(Q75L)
分子名称: ADP-ribosylation factor-like protein 8B, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Qiu, X.H, Pan, L.F.
登録日2023-05-10
公開日2024-03-27
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Mechanistic Insights into the Interactions of Arl8b with the RUN Domains of PLEKHM1 and SKIP.
J.Mol.Biol., 435, 2023
7WUQ
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BU of 7wuq by Molmil
Tethered peptide activation mechanism of adhesion GPCRs ADGRG2 and ADGRG4
分子名称: Adhesion G-protein coupled receptor G2,mCherry, 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, ...
著者He, Q.T, Guo, S.C, Xiao, P, Sun, J.P, Yu, X, Gou, L, Kong, L.L, Zhang, L.
登録日2022-02-09
公開日2022-04-27
最終更新日2022-05-11
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Tethered peptide activation mechanism of the adhesion GPCRs ADGRG2 and ADGRG4.
Nature, 604, 2022

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件を2024-08-14に公開中

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