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2OFV
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BU of 2ofv by Molmil
crystal structure of aminoquinazoline 1 bound to Lck
分子名称: 3-(2-AMINOQUINAZOLIN-6-YL)-4-METHYL-N-[3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE, Proto-oncogene tyrosine-protein kinase LCK
著者Huang, X.
登録日2007-01-04
公開日2007-02-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of Aminoquinazolines as Potent, Orally Bioavailable Inhibitors of Lck: Synthesis, SAR, and in Vivo Anti-Inflammatory Activity
J.Med.Chem., 49, 2006
3BYU
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BU of 3byu by Molmil
co-crystal structure of Lck and aminopyrimidine reverse amide 23
分子名称: 2-methyl-N-{4-methyl-3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)carbamoyl]phenyl}-3-(trifluoromethyl)benzamide, Proto-oncogene tyrosine-protein kinase LCK
著者Huang, X.
登録日2008-01-16
公開日2008-09-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-guided design of aminopyrimidine amides as potent, selective inhibitors of lymphocyte specific kinase: synthesis, structure-activity relationships, and inhibition of in vivo T cell activation.
J.Med.Chem., 51, 2008
5BK4
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BU of 5bk4 by Molmil
Cryo-EM structure of Mcm2-7 double hexamer on dsDNA
分子名称: ADENOSINE-5'-DIPHOSPHATE, DNA (60-mer), strand 1, ...
著者Li, H, Yuan, Z, Bai, L.
登録日2017-09-12
公開日2017-10-25
最終更新日2020-01-08
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Cryo-EM structure of Mcm2-7 double hexamer on DNA suggests a lagging-strand DNA extrusion model.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3BK3
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BU of 3bk3 by Molmil
Crystal structure of the complex of BMP-2 and the first Von Willebrand domain type C of Crossveinless-2
分子名称: Bone morphogenetic protein 2, Crossveinless 2
著者Mueller, T.D, Sebald, W, Zhang, J.-L.
登録日2007-12-05
公開日2008-05-27
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure analysis reveals how the Chordin family member crossveinless 2 blocks BMP-2 receptor binding
Dev.Cell, 14, 2008
5E8J
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BU of 5e8j by Molmil
Crystal structure of mRNA cap guanine-N7 methyltransferase in complex with RAM
分子名称: GLYCEROL, RNMT-activating mini protein, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Petit, P, Cowling, V.
登録日2015-10-14
公開日2016-07-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Molecular basis of RNA guanine-7 methyltransferase (RNMT) activation by RAM.
Nucleic Acids Res., 44, 2016
3BYS
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BU of 3bys by Molmil
co-crystal structure of Lck and aminopyrimidine amide 10b
分子名称: 4-methyl-N~3~-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)-N~1~-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide, Proto-oncogene tyrosine-protein kinase LCK
著者Huang, X.
登録日2008-01-16
公開日2008-09-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-guided design of aminopyrimidine amides as potent, selective inhibitors of lymphocyte specific kinase: synthesis, structure-activity relationships, and inhibition of in vivo T cell activation.
J.Med.Chem., 51, 2008
2OG8
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BU of 2og8 by Molmil
crystal structure of aminoquinazoline 36 bound to Lck
分子名称: N-{2-[(N,N-DIETHYLGLYCYL)AMINO]-5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-3-[2-(METHYLAMINO)QUINAZOLIN-6-YL]BENZAMIDE, Proto-oncogene tyrosine-protein kinase LCK
著者Huang, X.
登録日2007-01-05
公開日2007-02-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of Aminoquinazolines as Potent, Orally Bioavailable Inhibitors of Lck: Synthesis, SAR, and in Vivo Anti-Inflammatory Activity
J.Med.Chem., 49, 2006
5E9J
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BU of 5e9j by Molmil
Crystal structure of the mRNA cap guanine-N7 methyltransferase - modular lobe (416-456) deletion
分子名称: S-ADENOSYL-L-HOMOCYSTEINE, mRNA cap guanine-N7 methyltransferase,mRNA cap guanine-N7 methyltransferase
著者Petit, P, Cowling, V.H.
登録日2015-10-15
公開日2016-07-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.47 Å)
主引用文献Molecular basis of RNA guanine-7 methyltransferase (RNMT) activation by RAM.
Nucleic Acids Res., 44, 2016
3B2W
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BU of 3b2w by Molmil
Crystal structure of pyrimidine amide 11 bound to Lck
分子名称: N-[5-({[2-fluoro-3-(trifluoromethyl)phenyl]amino}carbonyl)-2-methylphenyl]-4-methoxy-2-[(4-piperazin-1-ylphenyl)amino]pyrimidine-5-carboxamide, Proto-oncogene tyrosine-protein kinase LCK
著者Huang, X.
登録日2007-10-19
公開日2007-12-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献N-(3-(phenylcarbamoyl)arylpyrimidine)-5-carboxamides as potent and selective inhibitors of Lck: structure, synthesis and SAR.
Bioorg.Med.Chem.Lett., 18, 2008
5E9W
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BU of 5e9w by Molmil
Crystal structure of mRNA cap guanine-N7 methyltransferase obtained by limited proteolysis
分子名称: S-ADENOSYL-L-HOMOCYSTEINE, mRNA cap guanine-N7 methyltransferase
著者Petit, P, Cowling, V.H.
登録日2015-10-15
公開日2016-07-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.283 Å)
主引用文献Molecular basis of RNA guanine-7 methyltransferase (RNMT) activation by RAM.
Nucleic Acids Res., 44, 2016
3CVU
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BU of 3cvu by Molmil
Drosophila melanogaster (6-4) photolyase bound to ds DNA with a T-T (6-4) photolesion
分子名称: DNA (5'-D(*DAP*DCP*DAP*DGP*DCP*DGP*DGP*(64T)P*(5PY)P*DGP*DCP*DAP*DGP*DGP*DT)-3'), DNA (5'-D(*DTP*DAP*DCP*DCP*DTP*DGP*DCP*DAP*DAP*DCP*DCP*DGP*DCP*DTP*DG)-3'), FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Maul, M.J, Barends, T.R.M, Glas, A.F, Cryle, M.J, Schlichting, I, Carell, T.
登録日2008-04-20
公開日2008-11-04
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure and mechanism of a DNA (6-4) photolyase.
Angew.Chem.Int.Ed.Engl., 47, 2008
2OF2
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BU of 2of2 by Molmil
crystal structure of furanopyrimidine 8 bound to lck
分子名称: 2,3-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-B]PYRIDIN-4-AMINE, Proto-oncogene tyrosine-protein kinase LCK
著者Martin, M.W.
登録日2007-01-02
公開日2007-02-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of novel 2,3-diarylfuro[2,3-b]pyridin-4-amines as potent and selective inhibitors of Lck: Synthesis, SAR, and pharmacokinetic properties.
Bioorg.Med.Chem.Lett., 17, 2007
3CVW
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BU of 3cvw by Molmil
Drosophila melanogaster (6-4) photolyase H365N mutant bound to ds DNA with a T-T (6-4) photolesion and cofactor F0
分子名称: 1-deoxy-1-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-D-ribitol, DNA (5'-D(*DAP*DCP*DAP*DGP*DCP*DGP*DGP*(64T)P*(5PY)P*DGP*DCP*DAP*DGP*DGP*DT)-3'), DNA (5'-D(*DTP*DAP*DCP*DCP*DTP*DGP*DCP*DAP*DAP*DCP*DCP*DGP*DCP*DTP*DG)-3'), ...
著者Maul, M.J, Barends, T.R.M, Glas, A.F, Cryle, M.J, Schlichting, I, Carell, T.
登録日2008-04-20
公開日2009-10-13
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structure and mechanism of a cofactor f0 accelerated (6-4) photolyase from the fruit fly
To be Published
3CVX
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BU of 3cvx by Molmil
Drosophila melanogaster (6-4) photolyase H369M mutant bound to ds DNA with a T-T (6-4) photolesion
分子名称: DNA (5'-D(*DAP*DCP*DAP*DGP*DCP*DGP*DGP*(64T)P*(5PY)P*DGP*DCP*DAP*DGP*DGP*DT)-3'), DNA (5'-D(*DTP*DAP*DCP*DCP*DTP*DGP*DCP*DAP*DAP*DCP*DCP*DGP*DCP*DTP*DG)-3'), FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Maul, M.J, Barends, T.R.M, Glas, A.F, Cryle, M.J, Schlichting, I, Carell, T.
登録日2008-04-20
公開日2009-10-13
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structure and mechanism of a coenzyme F0 accelerated (6-4) photolyase from the fruit fly
To be Published
3CVY
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BU of 3cvy by Molmil
Drosophila melanogaster (6-4) photolyase bound to repaired ds DNA
分子名称: DNA (5'-D(*DAP*DCP*DAP*DGP*DCP*DGP*DGP*DTP*DTP*DGP*DCP*DAP*DGP*DGP*DT)-3'), DNA (5'-D(*DTP*DAP*DCP*DCP*DTP*DGP*DCP*DAP*DAP*DCP*DCP*DGP*DCP*DTP*DG)-3'), FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Maul, M.J, Barends, T.R.M, Glas, A.F, Cryle, M.J, Schlichting, I, Carell, T.
登録日2008-04-20
公開日2008-11-04
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure and mechanism of a DNA (6-4) photolyase.
Angew.Chem.Int.Ed.Engl., 47, 2008
4PZQ
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BU of 4pzq by Molmil
Crystal Structure of CCG DNA repeats
分子名称: COBALT (II) ION, DNA (5'-D(*TP*CP*CP*GP*CP*CP*GP*CP*CP*GP*A)-3')
著者Chen, Y.W, Hou, M.H.
登録日2014-03-31
公開日2015-01-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Structural basis for the identification of an i-motif tetraplex core with a parallel-duplex junction as a structural motif in CCG triplet repeats
Angew.Chem.Int.Ed.Engl., 53, 2014
1GOI
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BU of 1goi by Molmil
Crystal structure of the D140N mutant of chitinase B from Serratia marcescens at 1.45 A resolution
分子名称: CHITINASE B, GLYCEROL, SULFATE ION
著者Kolstad, G, Synstad, B, Eijsink, V.G.H, Van Aalten, D.M.F.
登録日2001-10-21
公開日2001-11-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structure of the D140N Mutant of Chitinase B from Serratia Marcescens at 1.45 A Resolution.
Acta Crystallogr.,Sect.D, 58, 2002
6XT7
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BU of 6xt7 by Molmil
Tel25 Hybrid Four-quartet G-quadruplex with K+
分子名称: DNA (25-MER), MAGNESIUM ION, POTASSIUM ION, ...
著者Yatsunyk, L.A, McCarthy, S.E.
登録日2020-07-17
公開日2020-12-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献The first crystal structures of hybrid and parallel four-tetrad intramolecular G-quadruplexes.
Nucleic Acids Res., 50, 2022
4E68
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BU of 4e68 by Molmil
Unphosphorylated STAT3B core protein binding to dsDNA
分子名称: DNA (5'-D(*TP*GP*CP*AP*TP*TP*TP*CP*CP*CP*GP*TP*AP*AP*AP*TP*CP*T)-3'), Signal transducer and activator of transcription 3
著者Collie, G.W, Parkinson, G.N, Shah, R.
登録日2012-03-15
公開日2013-03-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.585 Å)
主引用文献Observation of unphosphorylated STAT3 core protein binding to target dsDNA by PEMSA and X-ray crystallography.
Febs Lett., 587, 2013
4ERF
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BU of 4erf by Molmil
crystal structure of MDM2 (17-111) in complex with compound 29 (AM-8553)
分子名称: E3 ubiquitin-protein ligase Mdm2, {(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2S,3S)-2-hydroxypentan-3-yl]-3-methyl-2-oxopiperidin-3-yl}acetic acid
著者Huang, X.
登録日2012-04-20
公開日2012-05-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based design of novel inhibitors of the MDM2-p53 interaction.
J.Med.Chem., 55, 2012
4ERE
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BU of 4ere by Molmil
crystal structure of MDM2 (17-111) in complex with compound 23
分子名称: E3 ubiquitin-protein ligase Mdm2, SULFATE ION, [(3R,5R,6S)-1-[(2S)-1-tert-butoxy-1-oxobutan-2-yl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-2-oxopiperidin-3-yl]acetic acid
著者Huang, X.
登録日2012-04-20
公開日2012-05-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-based design of novel inhibitors of the MDM2-p53 interaction.
J.Med.Chem., 55, 2012
5ZT2
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BU of 5zt2 by Molmil
Crystal structure of CCG DNA repeats at 1.66 angstrom resolution
分子名称: COBALT (II) ION, DNA (5'-D(*TP*CP*CP*GP*CP*CP*GP*CP*CP*GP*A)-3')
著者Hou, M.H, Wu, P.C, Satange, R.B, Chen, Y.W.
登録日2018-05-01
公開日2019-05-15
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.66002166 Å)
主引用文献Crystallographic analysis of conformational change in CCG repeats into i-motif and unusual DNA duplex in presence and absence of CoII(Chro)2 complex
To Be Published
3UKO
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BU of 3uko by Molmil
Crystal Structure of S-Nitrosoglutathione Reductase from Arabidopsis thaliana, complex with NADH
分子名称: Alcohol dehydrogenase class-3, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, ...
著者Weichsel, A, Crotty, J, Montfort, W.R.
登録日2011-11-09
公開日2012-11-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure and kinetic behavior of alcohol dehydrogenase III /S-nitrosoglutathione reductase from arabidopsis thaliana
To be Published
6H07
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BU of 6h07 by Molmil
X-ray structure of Lactobacillus brevis alcohol dehydrogenase
分子名称: MAGNESIUM ION, MANGANESE (II) ION, R-specific alcohol dehydrogenase
著者Hermann, J, Nowotny, P, Biggel, P, Schneider, S, Hekmat, D, Weuster-Botz, D.
登録日2018-07-06
公開日2018-12-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.482 Å)
主引用文献Neutron and X-ray crystal structures of Lactobacillus brevis alcohol dehydrogenase reveal new insights into hydrogen-bonding pathways.
Acta Crystallogr F Struct Biol Commun, 74, 2018
6HLF
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BU of 6hlf by Molmil
X-ray structure of Lactobacillus brevis alcohol dehydrogenase mutant - K32A
分子名称: MAGNESIUM ION, MANGANESE (II) ION, R-specific alcohol dehydrogenase
著者Hermann, J, Nowotny, P, Schneider, S, Hekmat, D, Weuster-Botz, D.
登録日2018-09-11
公開日2018-12-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Rational Crystal Contact Engineering of Lactobacillus brevis Alcohol Dehydrogenase To Promote Technical Protein Crystallization
Cryst.Growth Des., 2019

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