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1K3N
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BU of 1k3n by Molmil
NMR Structure of the FHA1 Domain of Rad53 in Complex with a Rad9-derived Phosphothreonine (at T155) Peptide
分子名称: DNA repair protein Rad9, Protein Kinase SPK1
著者Yuan, C, Yongkiettrakul, S, Byeon, I.-J.L, Zhou, S, Tsai, M.-D.
登録日2001-10-03
公開日2001-12-05
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献Solution structures of two FHA1-phosphothreonine peptide complexes provide insight into the structural basis of the ligand specificity of FHA1 from yeast Rad53.
J.Mol.Biol., 314, 2001
8IGN
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BU of 8ign by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with RAY1216
分子名称: (3~{S},3~{a}~{S},6~{a}~{R})-2-[(2~{S})-2-cyclohexyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]ethanoyl]-~{N}-[(2~{S})-4-(cyclopentylamino)-3,4-bis(oxidanylidene)-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide, 3C-like proteinase nsp5
著者Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X.
登録日2023-02-21
公開日2023-04-05
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir.
Nat Microbiol, 9, 2024
8IGO
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BU of 8igo by Molmil
Crystal structure of apo SARS-CoV-2 main protease
分子名称: 3C-like proteinase nsp5
著者Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X.
登録日2023-02-21
公開日2023-04-05
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir.
Nat Microbiol, 9, 2024
2N8U
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BU of 2n8u by Molmil
Solution Structure of the rNedd4 WW2 Domain by NMR
分子名称: E3 ubiquitin-protein ligase NEDD4
著者Spagnol, G, Kieken, F, Sorgen, P.L.
登録日2015-10-27
公開日2016-02-24
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structural Studies of the Nedd4 WW Domains and Their Selectivity for the Connexin43 (Cx43) Carboxyl Terminus.
J. Biol. Chem., 291, 2016
1PHB
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BU of 1phb by Molmil
INHIBITOR-INDUCED CONFORMATIONAL CHANGE IN CYTOCHROME P450-CAM
分子名称: 1-(N-IMIDAZOLYL)-2-HYDROXY-2-(2,3-DICHLOROPHENYL)OCTANE, CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE
著者Poulos, T.L.
登録日1992-07-27
公開日1993-10-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Inhibitor-induced conformational change in cytochrome P-450CAM.
Biochemistry, 32, 1993
1J4P
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BU of 1j4p by Molmil
NMR STRUCTURE OF THE FHA1 DOMAIN OF RAD53 IN COMPLEX WITH A RAD9-DERIVED PHOSPHOTHREONINE (AT T155) PEPTIDE
分子名称: DNA REPAIR PROTEIN RAD9, PROTEIN KINASE SPK1
著者Yuan, C, Yongkiettrakul, S, Byeon, I.-J.L, Zhou, S, Tsai, M.-D.
登録日2001-10-22
公開日2001-12-05
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Solution structures of two FHA1-phosphothreonine peptide complexes provide insight into the structural basis of the ligand specificity of FHA1 from yeast Rad53.
J.Mol.Biol., 314, 2001
1PHA
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BU of 1pha by Molmil
INHIBITOR-INDUCED CONFORMATIONAL CHANGE IN CYTOCHROME P450-CAM
分子名称: 1-(N-IMIDAZOLYL)-2-HYDROXY-2-(2,3-DICHLOROPHENYL)OCTANE, CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE
著者Poulos, T.L.
登録日1992-07-27
公開日1993-10-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Inhibitor-induced conformational change in cytochrome P-450CAM.
Biochemistry, 32, 1993
2N8S
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BU of 2n8s by Molmil
Solution Structure of the rNedd4 WW1 Domain by NMR
分子名称: E3 ubiquitin-protein ligase NEDD4
著者Spagnol, G, Kieken, F, Sorgen, P.L.
登録日2015-10-27
公開日2016-02-24
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structural Studies of the Nedd4 WW Domains and Their Selectivity for the Connexin43 (Cx43) Carboxyl Terminus.
J. Biol. Chem., 291, 2016
2N8T
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BU of 2n8t by Molmil
Solution Structure of the rNedd4 WW2 Domain-Cx43CT Peptide Complex by NMR
分子名称: Cx43CT Peptide, E3 ubiquitin-protein ligase NEDD4
著者Spagnol, G, Kieken, F, Sorgen, P.L.
登録日2015-10-27
公開日2016-02-24
最終更新日2017-03-22
実験手法SOLUTION NMR
主引用文献Structural Studies of the Nedd4 WW Domains and Their Selectivity for the Connexin43 (Cx43) Carboxyl Terminus.
J. Biol. Chem., 291, 2016
2L16
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BU of 2l16 by Molmil
Solution structure of Bacillus subtilits TatAd protein in DPC micelles
分子名称: Sec-independent protein translocase protein tatAd
著者Hu, Y, Jin, C.
登録日2010-07-23
公開日2010-09-08
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution NMR structure of the TatA component of the twin-arginine protein transport system from gram-positive bacterium Bacillus subtilis
J.Am.Chem.Soc., 132, 2010
2MN6
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BU of 2mn6 by Molmil
Solution structure of dimeric TatA of twin-arginine translocation system from E. coli
分子名称: Sec-independent protein translocase protein TatA
著者Zhang, Y, Hu, Y, Jin, C.
登録日2014-03-31
公開日2015-04-15
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structural basis for TatA oligomerization: an NMR study of Escherichia coli TatA dimeric structure
Plos One, 9, 2014
2YU2
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BU of 2yu2 by Molmil
Crystal structure of hJHDM1A without a-ketoglutarate
分子名称: FE (II) ION, JmjC domain-containing histone demethylation protein 1A
著者Han, Z.
登録日2007-04-05
公開日2007-04-24
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis for histone demethylation by JHDM1
To be Published
2YU1
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BU of 2yu1 by Molmil
Crystal structure of hJHDM1A complexed with a-ketoglutarate
分子名称: 2-OXOGLUTARIC ACID, FE (II) ION, JmjC domain-containing histone demethylation protein 1A
著者Han, Z.
登録日2007-04-05
公開日2007-04-24
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis for histone demethylation by JHDM1
To be Published
5XZR
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BU of 5xzr by Molmil
The atomic structure of SHP2 E76A mutant in complex with allosteric inhibitor 9b
分子名称: 4-(3-phenylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-thiazol-2-amine, Tyrosine-protein phosphatase non-receptor type 11
著者Li, D, Xie, J, Zhu, J, Liu, C.
登録日2017-07-13
公開日2017-12-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Allosteric Inhibitors of SHP2 with Therapeutic Potential for Cancer Treatment.
J. Med. Chem., 60, 2017
4F66
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BU of 4f66 by Molmil
The crystal structure of 6-phospho-beta-glucosidase from Streptococcus mutans UA159 in complex with beta-D-glucose-6-phosphate.
分子名称: 1,2-ETHANEDIOL, 6-O-phosphono-beta-D-glucopyranose, FORMIC ACID, ...
著者Tan, K, Michalska, K, Hatzos-Skintges, C, Bearden, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2012-05-14
公開日2012-06-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.479 Å)
主引用文献GH1-family 6-P-beta-glucosidases from human microbiome lactic acid bacteria.
Acta Crystallogr. D Biol. Crystallogr., 69, 2013
8WYD
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BU of 8wyd by Molmil
Cryo-EM structure of DSR2-DSAD1 complex
分子名称: Bacillus phage SPbeta DSAD1 protein, SIR2 family protein
著者Zhang, J.T, Jia, N, Liu, X.Y.
登録日2023-10-30
公開日2024-04-10
最終更新日2024-04-17
実験手法ELECTRON MICROSCOPY (2.56 Å)
主引用文献Structural basis for phage-mediated activation and repression of bacterial DSR2 anti-phage defense system.
Nat Commun, 15, 2024
8WYE
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BU of 8wye by Molmil
Cryo-EM structure of DSR2-DSAD1 (partial) complex
分子名称: Bacillus phage SPbeta DSAD1 protein, SIR2 family protein
著者Zhang, J.T, Jia, N, Liu, X.Y.
登録日2023-10-30
公開日2024-04-10
最終更新日2024-04-17
実験手法ELECTRON MICROSCOPY (2.49 Å)
主引用文献Structural basis for phage-mediated activation and repression of bacterial DSR2 anti-phage defense system.
Nat Commun, 15, 2024
8WY9
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BU of 8wy9 by Molmil
Cryo-EM structure of DSR2 apo (partial) complex
分子名称: SIR2 family protein
著者Zhang, J.T, Jia, N, Liu, X.Y.
登録日2023-10-30
公開日2024-04-10
最終更新日2024-04-17
実験手法ELECTRON MICROSCOPY (2.57 Å)
主引用文献Structural basis for phage-mediated activation and repression of bacterial DSR2 anti-phage defense system.
Nat Commun, 15, 2024
3QOM
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BU of 3qom by Molmil
Crystal structure of 6-phospho-beta-glucosidase from Lactobacillus plantarum
分子名称: 6-phospho-beta-glucosidase, ACETATE ION, PHOSPHATE ION, ...
著者Michalska, K, Hatzos-Skintges, C, Bearden, J, Kohler, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2011-02-10
公開日2011-03-09
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.498 Å)
主引用文献GH1-family 6-P-beta-glucosidases from human microbiome lactic acid bacteria.
Acta Crystallogr.,Sect.D, 69, 2013
8WYF
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BU of 8wyf by Molmil
Cryo-EM structure of DSR2-DSAD1-NAD+ (partial) complex
分子名称: Bacillus phage SPbeta DSAD1 protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SIR2 family protein
著者Zhang, J.T, Jia, N, Liu, X.Y.
登録日2023-10-30
公開日2024-04-10
最終更新日2024-04-17
実験手法ELECTRON MICROSCOPY (2.85 Å)
主引用文献Structural basis for phage-mediated activation and repression of bacterial DSR2 anti-phage defense system.
Nat Commun, 15, 2024
8XLQ
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BU of 8xlq by Molmil
FGFR4 kinase domain with a dual-warhead covalent inhibitor CXF-007
分子名称: CXF007, Fibroblast growth factor receptor 4, SULFATE ION
著者Chen, X.J, Chen, Y.H.
登録日2023-12-26
公開日2024-03-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Design, synthesis, and biological evaluation of selective covalent inhibitors of FGFR4.
Eur.J.Med.Chem., 268, 2024
8XLO
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BU of 8xlo by Molmil
FGFR1 kinase domain with a dual-warhead covalent inhibitor CXF-007
分子名称: CXF007, Fibroblast growth factor receptor 1, SULFATE ION
著者Chen, X.J, Chen, Y.H.
登録日2023-12-26
公開日2024-03-27
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Design, synthesis, and biological evaluation of selective covalent inhibitors of FGFR4.
Eur.J.Med.Chem., 268, 2024
4FMX
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BU of 4fmx by Molmil
Crystal Structure of Substrate-Bound P450cin
分子名称: 1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCTANE, GLYCEROL, P450cin, ...
著者Madrona, Y, Tripathi, S.M, Huiying, L, Poulos, T.L.
登録日2012-06-18
公開日2012-07-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.554 Å)
主引用文献Crystal structures of substrate-free and nitrosyl cytochrome p450cin: implications for o(2) activation.
Biochemistry, 51, 2012
4GZE
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BU of 4gze by Molmil
Crystal structure of 6-phospho-beta-glucosidase from Lactobacillus plantarum (apo form)
分子名称: 6-phospho-beta-glucosidase, CHLORIDE ION, GLYCEROL
著者Michalska, K, Hatzos-Skintges, C, Bearden, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2012-09-06
公開日2012-09-26
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献GH1-family 6-P-beta-glucosidases from human microbiome lactic acid bacteria.
Acta Crystallogr.,Sect.D, 69, 2013
1MOC
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BU of 1moc by Molmil
HIGH-RESOLUTION CRYSTAL STRUCTURES OF DISTAL HISTIDINE MUTANTS OF SPERM WHALE MYOGLOBIN
分子名称: CARBON MONOXIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Quillin, M.L, Phillips Jr, G.N.
登録日1994-12-01
公開日1995-02-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献High-resolution crystal structures of distal histidine mutants of sperm whale myoglobin.
J.Mol.Biol., 234, 1993

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