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6NPV
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BU of 6npv by Molmil
C-abl Kinase domain with the activator(cmpd51), N-(1-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-4,5-dihydro-1H-pyrazol-3-yl)isonicotinamide
分子名称: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, GLYCEROL, NONAETHYLENE GLYCOL, ...
著者campobasso, N.
登録日2019-01-18
公開日2019-03-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Identification and Optimization of Novel Small c-Abl Kinase Activators Using Fragment and HTS Methodologies.
J. Med. Chem., 62, 2019
6NPU
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BU of 6npu by Molmil
C-abl Kinase domain with the activator(cmpd29), N-(1-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl)acetamide
分子名称: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, GLYCEROL, NONAETHYLENE GLYCOL, ...
著者Campobasso, N.
登録日2019-01-18
公開日2019-03-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Identification and Optimization of Novel Small c-Abl Kinase Activators Using Fragment and HTS Methodologies.
J. Med. Chem., 62, 2019
6CUV
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BU of 6cuv by Molmil
Engineered Holo TrpB from Pyrococcus furiosus, PfTrpB7E6
分子名称: PHOSPHATE ION, SODIUM ION, Tryptophan synthase beta chain 1
著者Scheele, R.A, Buller, A.R, Boville, C.E, Arnold, F.H.
登録日2018-03-26
公開日2018-09-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Engineered Biosynthesis of beta-Alkyl Tryptophan Analogues.
Angew. Chem. Int. Ed. Engl., 57, 2018
3EIR
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BU of 3eir by Molmil
Crystal structure of CHBP, a Cif Homologue from Burkholderia pseudomallei
分子名称: Putative ATP/GTP binding protein
著者Yao, Q, Zhu, Y, Shao, F.
登録日2008-09-17
公開日2009-02-03
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献A bacterial type III effector family uses the papain-like hydrolytic activity to arrest the host cell cycle
Proc.Natl.Acad.Sci.USA, 106, 2009
3EIT
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BU of 3eit by Molmil
the 2.6 angstrom crystal structure of CHBP, the Cif Homologue from Burkholderia pseudomallei
分子名称: Putative ATP/GTP binding protein
著者Yao, Q, Zhu, Y, Shao, F.
登録日2008-09-17
公開日2009-02-03
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献A bacterial type III effector family uses the papain-like hydrolytic activity to arrest the host cell cycle
Proc.Natl.Acad.Sci.USA, 106, 2009
1KBQ
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BU of 1kbq by Molmil
Complex of Human NAD(P)H quinone Oxidoreductase with 5-methoxy-1,2-dimethyl-3-(4-nitrophenoxymethyl)indole-4,7-dione (ES936)
分子名称: 5-METHOXY-1,2-DIMETHYL-3-(4-NITROPHENOXYMETHYL)INDOLE-4,7-DIONE, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1
著者Faig, M, Bianchet, M.A, Amzel, L.M.
登録日2001-11-06
公開日2002-01-16
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Characterization of a mechanism-based inhibitor of NAD(P)H:quinone oxidoreductase 1 by biochemical, X-ray crystallographic, and mass spectrometric approaches.
Biochemistry, 40, 2001
1KBO
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BU of 1kbo by Molmil
Complex of Human recombinant NAD(P)H:Quinone Oxide reductase type 1 with 5-methoxy-1,2-dimethyl-3-(phenoxymethyl)indole-4,7-dione (ES1340)
分子名称: 5-METHOXY-1,2-DIMETHYL-3-(PHENOXYMETHYL)INDOLE-4,7-DIONE, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1
著者Faig, M, Bianchet, M.A, Amzel, L.M.
登録日2001-11-06
公開日2002-01-16
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Characterization of a mechanism-based inhibitor of NAD(P)H:quinone oxidoreductase 1 by biochemical, X-ray crystallographic, and mass spectrometric approaches.
Biochemistry, 40, 2001
8YBF
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BU of 8ybf by Molmil
Crystal structure of canine distemper virus hemagglutinin
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin glycoprotein
著者Fukuhara, H, Yumoto, K, Sako, M, Kajikawa, M, Ose, T, Hashiguchi, T, Kamishikiryo, J, Maita, N, Kuroki, K, Maenaka, K.
登録日2024-02-13
公開日2024-07-31
最終更新日2024-08-14
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Glycan-shielded homodimer structure and dynamical features of the canine distemper virus hemagglutinin relevant for viral entry and efficient vaccination.
Elife, 12, 2024
2IO8
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BU of 2io8 by Molmil
E. coli Bifunctional glutathionylspermidine synthetase/amidase Incomplex with Mg2+ and ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Bifunctional glutathionylspermidine synthetase/amidase, CYSTEINE, ...
著者Pai, C.H, Chiang, B.Y, Ko, T.P, Chou, C.C, Chong, C.M, Yen, F.J, Coward, J.K, Wang, A.H.-J, Lin, C.H.
登録日2006-10-10
公開日2006-12-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Dual binding sites for translocation catalysis by Escherichia coli glutathionylspermidine synthetase
Embo J., 25, 2006
2IOA
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BU of 2ioa by Molmil
E. coli Bifunctional glutathionylspermidine synthetase/amidase Incomplex with Mg2+ and ADP and phosphinate inhibitor
分子名称: ADENOSINE-5'-DIPHOSPHATE, Bifunctional glutathionylspermidine synthetase/amidase, D-GAMMA-GLUTAMYL-N-{[(R)-{4-[(4-AMINOBUTYL)AMINO]BUTYL}(PHOSPHONOOXY)PHOSPHORYL]METHYL}-D-ALANINAMIDE, ...
著者Pai, C.H, Chiang, B.Y, Ko, T.P, Chou, C.C, Chong, C.M, Yen, F.J, Coward, J.K, Wang, A.H.-J, Lin, C.H.
登録日2006-10-10
公開日2006-12-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Dual binding sites for translocation catalysis by Escherichia coli glutathionylspermidine synthetase
Embo J., 25, 2006
2IO9
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BU of 2io9 by Molmil
E. coli Bifunctional glutathionylspermidine synthetase/amidase Incomplex with Mg2+ ,GSH and ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Bifunctional glutathionylspermidine synthetase/amidase, GLUTATHIONE, ...
著者Pai, C.H, Chiang, B.Y, Ko, T.P, Chou, C.C, Chong, C.M, Yen, F.J, Coward, J.K, Wang, A.H.-J, Lin, C.H.
登録日2006-10-10
公開日2006-12-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Dual binding sites for translocation catalysis by Escherichia coli glutathionylspermidine synthetase
Embo J., 25, 2006
2IOB
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BU of 2iob by Molmil
E. coli Bifunctional glutathionylspermidine synthetase/amidase Apo protein
分子名称: Bifunctional glutathionylspermidine synthetase/amidase
著者Pai, C.H, Chiang, B.Y, Ko, T.P, Chou, C.C, Chong, C.M, Yen, F.J, Coward, J.K, Wang, A.H.-J, Lin, C.H.
登録日2006-10-10
公開日2006-12-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Dual binding sites for translocation catalysis by Escherichia coli glutathionylspermidine synthetase
Embo J., 25, 2006
2IO7
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BU of 2io7 by Molmil
E. coli Bifunctional glutathionylspermidine synthetase/amidase Incomplex with Mg2+ and AMPPNP
分子名称: Bifunctional glutathionylspermidine synthetase/amidase, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Pai, C.H, Chiang, B.Y, Ko, T.P, Chong, C.M, Yen, F.J, Coward, J.K, Wang, A.H.-J, Lin, C.H.
登録日2006-10-10
公開日2006-12-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Dual binding sites for translocation catalysis by Escherichia coli glutathionylspermidine synthetase
Embo J., 25, 2006
6NJL
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BU of 6njl by Molmil
Architecture and subunit arrangement of native AMPA receptors
分子名称: 11B8 scFv, 15F1 Fab heavy chain, 15F1 Fab light chain, ...
著者Gouaux, E, Zhao, Y.
登録日2019-01-03
公開日2019-04-24
最終更新日2021-05-05
実験手法ELECTRON MICROSCOPY (6.7 Å)
主引用文献Architecture and subunit arrangement of native AMPA receptors elucidated by cryo-EM.
Science, 364, 2019
6NJN
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BU of 6njn by Molmil
Architecture and subunit arrangement of native AMPA receptors
分子名称: 11B8 scFv, 15F1 Fab heavy chain, 15F1 Fab light chain, ...
著者Gouaux, E, Zhao, Y.
登録日2019-01-03
公開日2019-04-24
最終更新日2021-05-05
実験手法ELECTRON MICROSCOPY (6.5 Å)
主引用文献Architecture and subunit arrangement of native AMPA receptors elucidated by cryo-EM.
Science, 364, 2019
5QII
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BU of 5qii by Molmil
CRYSTAL STRUCTURE OF 11BETA-HSD1 DOUBLE MUTANT (L262R, F278E) COMPLEXED WITH 2-(3-(1-(4-CHLOROPHENYL)CYCLOPROPYL) -[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-8-YL)PROPAN-2-OL
分子名称: 2-{3-[1-(4-chlorophenyl)cyclopropyl][1,2,4]triazolo[4,3-a]pyridin-8-yl}propan-2-ol, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Sheriff, S.
登録日2018-07-03
公開日2018-12-19
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Discovery of Clinical Candidate BMS-823778 as an Inhibitor of Human 11 beta-Hydroxysteroid Dehydrogenase Type 1 (11 beta-HSD-1).
ACS Med Chem Lett, 9, 2018
5QIJ
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BU of 5qij by Molmil
CRYSTAL STRUCTURE OF MURINE 11B- HYDROXYSTEROIDDEHYDROGENASE COMPLEXED WITH 2-(3-(1-(4- CHLOROPHENYL)CYCLOPROPYL)-[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-8- YL)PROPAN-2-OL
分子名称: 2-{3-[1-(4-chlorophenyl)cyclopropyl][1,2,4]triazolo[4,3-a]pyridin-8-yl}propan-2-ol, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Sheriff, S.
登録日2018-07-03
公開日2018-12-19
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Discovery of Clinical Candidate BMS-823778 as an Inhibitor of Human 11 beta-Hydroxysteroid Dehydrogenase Type 1 (11 beta-HSD-1).
ACS Med Chem Lett, 9, 2018
5MSL
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BU of 5msl by Molmil
Solution structure of the B. subtilis anti-sigma-F factor, FIN
分子名称: Anti-sigma-F factor Fin, ZINC ION
著者Martinez-Lumbreras, S, Alfano, C, Isaacson, R.L.
登録日2017-01-05
公開日2017-06-21
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献A novel RNA polymerase-binding protein that interacts with a sigma-factor docking site.
Mol. Microbiol., 105, 2017
2MLK
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BU of 2mlk by Molmil
Three-dimensional structure of the C-terminal DNA-binding domain of RstA protein from Klebsiella pneumoniae
分子名称: RstA
著者Fang, P, Chen, S, Cheng, Y, Chang, C, Yu, T, Huang, T.
登録日2014-03-02
公開日2014-07-16
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural dynamics of the two-component response regulator RstA in recognition of promoter DNA element.
Nucleic Acids Res., 42, 2014
8HTR
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BU of 8htr by Molmil
Crystal structure of Bcl2 in complex with S-9c
分子名称: 4-[4-[(2~{S})-2-(2-chlorophenyl)pyrrolidin-1-yl]phenyl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2
著者Liu, J, Xu, M, Feng, Y, Liu, Y.
登録日2022-12-21
公開日2024-05-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 67, 2024
8HTS
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BU of 8hts by Molmil
Crystal structure of Bcl2 in complex with S-10r
分子名称: 4-[2-[(2~{S})-2-(2-cyclopropylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2
著者Liu, J, Xu, M, Feng, Y, Liu, Y.
登録日2022-12-21
公開日2024-05-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 67, 2024
6IEG
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BU of 6ieg by Molmil
Crystal structure of human MTR4
分子名称: ADENOSINE-5'-DIPHOSPHATE, Exosome RNA helicase MTR4, MAGNESIUM ION
著者Chen, J.Y, Yun, C.H.
登録日2018-09-14
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.55 Å)
主引用文献NRDE2 negatively regulates exosome functions by inhibiting MTR4 recruitment and exosome interaction.
Genes Dev., 33, 2019
6IEH
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BU of 6ieh by Molmil
Crystal structures of the hMTR4-NRDE2 complex
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, Exosome RNA helicase MTR4, ...
著者Chen, J.Y, Yun, C.H.
登録日2018-09-14
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.892 Å)
主引用文献NRDE2 negatively regulates exosome functions by inhibiting MTR4 recruitment and exosome interaction.
Genes Dev., 33, 2019
5NP7
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BU of 5np7 by Molmil
CryoEM structure of Human Rad51 on single-stranded DNA to 4.2A resolution.
分子名称: DNA repair protein RAD51 homolog 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Short, J.M, Venkitaraman, A.
登録日2017-04-13
公開日2017-05-03
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献High-resolution structure of the presynaptic RAD51 filament on single-stranded DNA by electron cryo-microscopy.
Nucleic Acids Res., 44, 2016
6NHW
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BU of 6nhw by Molmil
Structure of the transmembrane domain of the Death Receptor 5 - Dimer of Trimer
分子名称: Tumor necrosis factor receptor superfamily member 10B
著者Chou, J.J, Pan, L, Fu, Q, Zhao, L, Chen, W, Piai, A, Fu, T, Wu, H.
登録日2018-12-24
公開日2019-02-27
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Higher-Order Clustering of the Transmembrane Anchor of DR5 Drives Signaling.
Cell, 176, 2019

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