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3U6J
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BU of 3u6j by Molmil
Crystal structure of the VEGFR2 kinase domain in complex with a pyrazolone inhibitor
分子名称: N-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide, Vascular endothelial growth factor receptor 2
著者Whittington, D.A, Long, A, Rose, P, Gu, Y, Zhao, H.
登録日2011-10-12
公開日2012-02-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure-based design of novel class II c-Met inhibitors: 1. Identification of pyrazolone-based derivatives.
J.Med.Chem., 55, 2012
3TJC
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BU of 3tjc by Molmil
Co-crystal structure of jak2 with thienopyridine 8
分子名称: 4-amino-N-methyl-2-[4-(morpholin-4-yl)phenyl]thieno[3,2-c]pyridine-7-carboxamide, Tyrosine-protein kinase JAK2
著者Huang, X.
登録日2011-08-24
公開日2011-11-30
最終更新日2011-12-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of potent and highly selective thienopyridine janus kinase 2 inhibitors.
J.Med.Chem., 54, 2011
3U6I
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BU of 3u6i by Molmil
Crystal structure of c-Met in complex with pyrazolone inhibitor 58a
分子名称: Hepatocyte growth factor receptor, N-{3-fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl}-1-[(2R)-2-hydroxypropyl]-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide
著者Bellon, S.F, Whittington, D.A, Long, A.L.
登録日2011-10-12
公開日2012-02-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-based design of novel class II c-Met inhibitors: 1. Identification of pyrazolone-based derivatives.
J.Med.Chem., 55, 2012
4RX5
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BU of 4rx5 by Molmil
Bruton's tyrosine kinase (BTK) with pyridazinone compound 23
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, GLYCEROL, N-(6-fluoro-2-methyl-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}phenyl)-1-benzothiophene-2-carboxamide, ...
著者Eigenbrot, C, Yu, C.
登録日2014-12-08
公開日2015-12-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.356 Å)
主引用文献Discovery of highly potent and selective Bruton's tyrosine kinase inhibitors: Pyridazinone analogs with improved metabolic stability.
Bioorg.Med.Chem.Lett., 26, 2016
3U6H
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BU of 3u6h by Molmil
Crystal structure of c-Met in complex with pyrazolone inhibitor 26
分子名称: Hepatocyte growth factor receptor, N-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide
著者Bellon, S.F, Whittington, D.A, Long, A.L.
登録日2011-10-12
公開日2012-02-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based design of novel class II c-Met inhibitors: 1. Identification of pyrazolone-based derivatives.
J.Med.Chem., 55, 2012
3TJD
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BU of 3tjd by Molmil
co-crystal structure of Jak2 with thienopyridine 19
分子名称: 4-amino-2-[4-(tert-butylsulfamoyl)phenyl]-N-methylthieno[3,2-c]pyridine-7-carboxamide, Tyrosine-protein kinase JAK2
著者Huang, X.
登録日2011-08-24
公開日2011-11-30
最終更新日2011-12-28
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery of potent and highly selective thienopyridine janus kinase 2 inhibitors.
J.Med.Chem., 54, 2011
4OP2
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BU of 4op2 by Molmil
GKRP bound to AMG-0471 and Sorbitol-6-Phosphate
分子名称: (2S)-2-{4'-[(6-aminopyridin-3-yl)sulfonyl]biphenyl-4-yl}-1,1,1-trifluoropropan-2-ol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ...
著者Jordan, S.R, Chmait, S.
登録日2014-02-04
公開日2014-07-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Small Molecule Disruptors of the Glucokinase-Glucokinase Regulatory Protein Interaction: 5. A Novel Aryl Sulfone Series, Optimization Through Conformational Analysis.
J.Med.Chem., 58, 2015
6B5Q
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BU of 6b5q by Molmil
DCN1 bound to 38
分子名称: DCN1-like protein 1, Peptidomimetic Inhibitors DI-591, TRIETHYLENE GLYCOL
著者Stuckey, J.
登録日2017-09-29
公開日2018-02-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献High-Affinity Peptidomimetic Inhibitors of the DCN1-UBC12 Protein-Protein Interaction.
J. Med. Chem., 61, 2018
2I6K
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BU of 2i6k by Molmil
Crystal structure of human type I IPP isomerase complexed with a substrate analog
分子名称: ACETIC ACID, AMINOETHANOLPYROPHOSPHATE, Isopentenyl-diphosphate delta-isomerase 1, ...
著者Zhang, C, Wei, Z, Gong, W.
登録日2006-08-29
公開日2007-06-05
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structures of human IPP isomerase: new insights into the catalytic mechanism
J.Mol.Biol., 366, 2007
2H4Z
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BU of 2h4z by Molmil
Human bisphosphoglycerate mutase complexed with 2,3-bisphosphoglycerate
分子名称: (2R)-2,3-diphosphoglyceric acid, Bisphosphoglycerate mutase
著者Wang, Y, Gong, W.
登録日2006-05-25
公開日2006-10-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Seeing the process of histidine phosphorylation in human bisphosphoglycerate mutase.
J.Biol.Chem., 281, 2006
2HHJ
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BU of 2hhj by Molmil
Human bisphosphoglycerate mutase complexed with 2,3-bisphosphoglycerate (15 days)
分子名称: (2R)-2,3-diphosphoglyceric acid, 3-PHOSPHOGLYCERIC ACID, Bisphosphoglycerate mutase, ...
著者Wang, Y, Gong, W.
登録日2006-06-28
公開日2006-10-24
最終更新日2016-07-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Seeing the process of histidine phosphorylation in human bisphosphoglycerate mutase.
J.Biol.Chem., 281, 2006
2H4X
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BU of 2h4x by Molmil
Human bisphosphoglycerate mutase complex with 3-phosphoglycerate with crystal growth 90 days
分子名称: 3-PHOSPHOGLYCERIC ACID, Bisphosphoglycerate mutase
著者Wang, Y, Gong, W.
登録日2006-05-25
公開日2006-10-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Seeing the process of histidine phosphorylation in human bisphosphoglycerate mutase.
J.Biol.Chem., 281, 2006
2JQC
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BU of 2jqc by Molmil
A L-amino acid mutant of a D-amino acid containing conopeptide
分子名称: L-mr12
著者Huang, F, Du, W, Han, Y, Wang, C, Chi, C.
登録日2007-05-31
公開日2008-04-15
最終更新日2023-12-20
実験手法SOLUTION NMR
主引用文献Purification and structural characterization of a d-amino acid-containing conopeptide, conomarphin, from Conus marmoreus
Febs J., 275, 2008
2LN0
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BU of 2ln0 by Molmil
Structure of MOZ
分子名称: Histone acetyltransferase KAT6A, ZINC ION
著者Qiu, Y.
登録日2011-12-15
公開日2012-06-27
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Combinatorial readout of unmodified H3R2 and acetylated H3K14 by the tandem PHD finger of MOZ reveals a regulatory mechanism for HOXA9 transcription.
Genes Dev., 26, 2012
6K9N
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BU of 6k9n by Molmil
Rice_OTUB_like_catalytic domain
分子名称: Ubiquitin thioesterase
著者Lu, L.N, Liu, L, Wang, F.
登録日2019-06-17
公開日2020-06-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Met1-specific motifs conserved in OTUB subfamily of green plants enable rice OTUB1 to hydrolyse Met1 ubiquitin chains
Nat Commun, 13, 2022
5HDM
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BU of 5hdm by Molmil
Crystal structure of Arabidopsis thaliana glutamate-1-semialdehyde-2,1-aminomutase
分子名称: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Glutamate-1-semialdehyde 2,1-aminomutase 1, chloroplastic, ...
著者Song, Y, Pu, H, Liu, L.
登録日2016-01-05
公開日2016-06-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Crystal structure of glutamate-1-semialdehyde-2,1-aminomutase from Arabidopsis thaliana.
Acta Crystallogr.,Sect.F, 72, 2016
6KBE
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BU of 6kbe by Molmil
Structure of Deubiquitinase
分子名称: Polyubiquitin-C, Ubiquitin thioesterase
著者Lu, L.N, Liu, L, Wang, F.
登録日2019-06-24
公開日2020-06-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.339 Å)
主引用文献Met1-specific motifs conserved in OTUB subfamily of green plants enable rice OTUB1 to hydrolyse Met1 ubiquitin chains
Nat Commun, 13, 2022
6K9P
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Structure of Deubiquitinase
分子名称: Ubiquitin, Ubiquitin thioesterase
著者Lu, L.N, Liu, L, Wang, F.
登録日2019-06-17
公開日2020-06-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.047 Å)
主引用文献Met1-specific motifs conserved in OTUB subfamily of green plants enable rice OTUB1 to hydrolyse Met1 ubiquitin chains
Nat Commun, 13, 2022
4I80
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BU of 4i80 by Molmil
Crystal structure of human menin in complex with a high-affinity macrocyclic peptidomimetics
分子名称: Menin, macrocyclic peptidomimetic
著者Huang, J, Lei, M.
登録日2012-12-01
公開日2013-03-06
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure-Based Design of High-Affinity Macrocyclic Peptidomimetics to Block the Menin-Mixed Lineage Leukemia 1 (MLL1) Protein-Protein Interaction.
J.Med.Chem., 56, 2013
5XKU
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BU of 5xku by Molmil
Crystal structure of hemagglutinin globular head from an H7N9 influenza virus in complex with a neutralizing antibody HNIgGA6
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, HNIgGA6 heavy chain, HNIgGA6 light chain, ...
著者Chen, C, Wang, J, Wang, W, Gao, X, Cui, S, Jin, Q.
登録日2017-05-09
公開日2017-11-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Structural Insight into a Human Neutralizing Antibody against Influenza Virus H7N9
J. Virol., 92, 2018
6LYX
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BU of 6lyx by Molmil
Crystal structure of oxidized ACHT1
分子名称: GLYCEROL, SULFATE ION, Thioredoxin-like 2-1, ...
著者Wang, J.C, Pan, W.M, Cai, W.G, Wang, M.Z, Zhang, M.
登録日2020-02-16
公開日2020-05-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.696 Å)
主引用文献Structural insight into the biological functions of Arabidopsis thaliana ACHT1.
Int.J.Biol.Macromol., 158, 2020
6MJH
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BU of 6mjh by Molmil
The S31N mutant of the influenza A M2 proton channel in two distinct conformational states
分子名称: CALCIUM ION, CHLORIDE ION, Matrix protein 2
著者Thomaston, J.L, DeGrado, W.F.
登録日2018-09-20
公開日2019-06-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献X-ray Crystal Structure of the Influenza A M2 Proton Channel S31N Mutant in Two Conformational States: An Open and Shut Case.
J.Am.Chem.Soc., 141, 2019
6MQU
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PL5, synthetic transmembrane domain variant of human phospholamban
分子名称: PL5, designed TM pentamer
著者Mravic, M, Thomaston, J.L, DeGrado, W.F.
登録日2018-10-10
公開日2019-04-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.17 Å)
主引用文献Packing of apolar side chains enables accurate design of highly stable membrane proteins.
Science, 363, 2019
6MWR
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Recognition of MHC-like molecule
分子名称: 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, ...
著者Le Nours, J, Rossjohn, J.
登録日2018-10-30
公開日2019-12-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献A class of gamma delta T cell receptors recognize the underside of the antigen-presenting molecule MR1.
Science, 366, 2019
6LYW
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Structural insight into the biological functions of Arabidopsis thaliana ACHT1
分子名称: GLYCEROL, SULFATE ION, Thioredoxin-like 2-1, ...
著者Wang, J.C, Pan, W.M, Wang, M.Z, Zhang, M.
登録日2020-02-16
公開日2020-05-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural insight into the biological functions of Arabidopsis thaliana ACHT1.
Int.J.Biol.Macromol., 158, 2020

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