2OFV
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![BU of 2ofv by Molmil](/molmil-images/mine/2ofv) | crystal structure of aminoquinazoline 1 bound to Lck | Descriptor: | 3-(2-AMINOQUINAZOLIN-6-YL)-4-METHYL-N-[3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE, Proto-oncogene tyrosine-protein kinase LCK | Authors: | Huang, X. | Deposit date: | 2007-01-04 | Release date: | 2007-02-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Aminoquinazolines as Potent, Orally Bioavailable Inhibitors of Lck: Synthesis, SAR, and in Vivo Anti-Inflammatory Activity J.Med.Chem., 49, 2006
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3BYU
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![BU of 3byu by Molmil](/molmil-images/mine/3byu) | co-crystal structure of Lck and aminopyrimidine reverse amide 23 | Descriptor: | 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 | Authors: | Huang, X. | Deposit date: | 2008-01-16 | Release date: | 2008-09-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 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
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5BK4
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![BU of 5bk4 by Molmil](/molmil-images/mine/5bk4) | Cryo-EM structure of Mcm2-7 double hexamer on dsDNA | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA (60-mer), strand 1, ... | Authors: | Li, H, Yuan, Z, Bai, L. | Deposit date: | 2017-09-12 | Release date: | 2017-10-25 | Last modified: | 2020-01-08 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | 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
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3BK3
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![BU of 3bk3 by Molmil](/molmil-images/mine/3bk3) | |
5E8J
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![BU of 5e8j by Molmil](/molmil-images/mine/5e8j) | |
3BYS
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![BU of 3bys by Molmil](/molmil-images/mine/3bys) | co-crystal structure of Lck and aminopyrimidine amide 10b | Descriptor: | 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 | Authors: | Huang, X. | Deposit date: | 2008-01-16 | Release date: | 2008-09-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 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
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2OG8
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![BU of 2og8 by Molmil](/molmil-images/mine/2og8) | crystal structure of aminoquinazoline 36 bound to Lck | Descriptor: | N-{2-[(N,N-DIETHYLGLYCYL)AMINO]-5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-3-[2-(METHYLAMINO)QUINAZOLIN-6-YL]BENZAMIDE, Proto-oncogene tyrosine-protein kinase LCK | Authors: | Huang, X. | Deposit date: | 2007-01-05 | Release date: | 2007-02-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of Aminoquinazolines as Potent, Orally Bioavailable Inhibitors of Lck: Synthesis, SAR, and in Vivo Anti-Inflammatory Activity J.Med.Chem., 49, 2006
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5E9J
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![BU of 5e9j by Molmil](/molmil-images/mine/5e9j) | |
3B2W
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![BU of 3b2w by Molmil](/molmil-images/mine/3b2w) | Crystal structure of pyrimidine amide 11 bound to Lck | Descriptor: | 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 | Authors: | Huang, X. | Deposit date: | 2007-10-19 | Release date: | 2007-12-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | N-(3-(phenylcarbamoyl)arylpyrimidine)-5-carboxamides as potent and selective inhibitors of Lck: structure, synthesis and SAR. Bioorg.Med.Chem.Lett., 18, 2008
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5E9W
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3CVU
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![BU of 3cvu by Molmil](/molmil-images/mine/3cvu) | Drosophila melanogaster (6-4) photolyase bound to ds DNA with a T-T (6-4) photolesion | Descriptor: | 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, ... | Authors: | Maul, M.J, Barends, T.R.M, Glas, A.F, Cryle, M.J, Schlichting, I, Carell, T. | Deposit date: | 2008-04-20 | Release date: | 2008-11-04 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure and mechanism of a DNA (6-4) photolyase. Angew.Chem.Int.Ed.Engl., 47, 2008
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2OF2
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![BU of 2of2 by Molmil](/molmil-images/mine/2of2) | crystal structure of furanopyrimidine 8 bound to lck | Descriptor: | 2,3-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-B]PYRIDIN-4-AMINE, Proto-oncogene tyrosine-protein kinase LCK | Authors: | Martin, M.W. | Deposit date: | 2007-01-02 | Release date: | 2007-02-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 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
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3CVW
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![BU of 3cvw by Molmil](/molmil-images/mine/3cvw) | Drosophila melanogaster (6-4) photolyase H365N mutant bound to ds DNA with a T-T (6-4) photolesion and cofactor F0 | Descriptor: | 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'), ... | Authors: | Maul, M.J, Barends, T.R.M, Glas, A.F, Cryle, M.J, Schlichting, I, Carell, T. | Deposit date: | 2008-04-20 | Release date: | 2009-10-13 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure and mechanism of a cofactor f0
accelerated (6-4) photolyase from the fruit fly To be Published
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3CVX
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![BU of 3cvx by Molmil](/molmil-images/mine/3cvx) | Drosophila melanogaster (6-4) photolyase H369M mutant bound to ds DNA with a T-T (6-4) photolesion | Descriptor: | 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, ... | Authors: | Maul, M.J, Barends, T.R.M, Glas, A.F, Cryle, M.J, Schlichting, I, Carell, T. | Deposit date: | 2008-04-20 | Release date: | 2009-10-13 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure and mechanism of a coenzyme F0
accelerated (6-4) photolyase from the fruit fly To be Published
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3CVY
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![BU of 3cvy by Molmil](/molmil-images/mine/3cvy) | Drosophila melanogaster (6-4) photolyase bound to repaired ds DNA | Descriptor: | 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, ... | Authors: | Maul, M.J, Barends, T.R.M, Glas, A.F, Cryle, M.J, Schlichting, I, Carell, T. | Deposit date: | 2008-04-20 | Release date: | 2008-11-04 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure and mechanism of a DNA (6-4) photolyase. Angew.Chem.Int.Ed.Engl., 47, 2008
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4PZQ
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![BU of 4pzq by Molmil](/molmil-images/mine/4pzq) | Crystal Structure of CCG DNA repeats | Descriptor: | COBALT (II) ION, DNA (5'-D(*TP*CP*CP*GP*CP*CP*GP*CP*CP*GP*A)-3') | Authors: | Chen, Y.W, Hou, M.H. | Deposit date: | 2014-03-31 | Release date: | 2015-01-07 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | 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
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1GOI
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![BU of 1goi by Molmil](/molmil-images/mine/1goi) | Crystal structure of the D140N mutant of chitinase B from Serratia marcescens at 1.45 A resolution | Descriptor: | CHITINASE B, GLYCEROL, SULFATE ION | Authors: | Kolstad, G, Synstad, B, Eijsink, V.G.H, Van Aalten, D.M.F. | Deposit date: | 2001-10-21 | Release date: | 2001-11-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structure of the D140N Mutant of Chitinase B from Serratia Marcescens at 1.45 A Resolution. Acta Crystallogr.,Sect.D, 58, 2002
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6XT7
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![BU of 6xt7 by Molmil](/molmil-images/mine/6xt7) | Tel25 Hybrid Four-quartet G-quadruplex with K+ | Descriptor: | DNA (25-MER), MAGNESIUM ION, POTASSIUM ION, ... | Authors: | Yatsunyk, L.A, McCarthy, S.E. | Deposit date: | 2020-07-17 | Release date: | 2020-12-30 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | The first crystal structures of hybrid and parallel four-tetrad intramolecular G-quadruplexes. Nucleic Acids Res., 50, 2022
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4E68
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![BU of 4e68 by Molmil](/molmil-images/mine/4e68) | Unphosphorylated STAT3B core protein binding to dsDNA | Descriptor: | 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 | Authors: | Collie, G.W, Parkinson, G.N, Shah, R. | Deposit date: | 2012-03-15 | Release date: | 2013-03-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.585 Å) | Cite: | Observation of unphosphorylated STAT3 core protein binding to target dsDNA by PEMSA and X-ray crystallography. Febs Lett., 587, 2013
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4ERF
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![BU of 4erf by Molmil](/molmil-images/mine/4erf) | crystal structure of MDM2 (17-111) in complex with compound 29 (AM-8553) | Descriptor: | 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 | Authors: | Huang, X. | Deposit date: | 2012-04-20 | Release date: | 2012-05-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-based design of novel inhibitors of the MDM2-p53 interaction. J.Med.Chem., 55, 2012
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4ERE
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![BU of 4ere by Molmil](/molmil-images/mine/4ere) | crystal structure of MDM2 (17-111) in complex with compound 23 | Descriptor: | 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 | Authors: | Huang, X. | Deposit date: | 2012-04-20 | Release date: | 2012-05-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-based design of novel inhibitors of the MDM2-p53 interaction. J.Med.Chem., 55, 2012
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5ZT2
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![BU of 5zt2 by Molmil](/molmil-images/mine/5zt2) | |
3UKO
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![BU of 3uko by Molmil](/molmil-images/mine/3uko) | |
6H07
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![BU of 6h07 by Molmil](/molmil-images/mine/6h07) | X-ray structure of Lactobacillus brevis alcohol dehydrogenase | Descriptor: | MAGNESIUM ION, MANGANESE (II) ION, R-specific alcohol dehydrogenase | Authors: | Hermann, J, Nowotny, P, Biggel, P, Schneider, S, Hekmat, D, Weuster-Botz, D. | Deposit date: | 2018-07-06 | Release date: | 2018-12-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.482 Å) | Cite: | 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
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6HLF
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![BU of 6hlf by Molmil](/molmil-images/mine/6hlf) | X-ray structure of Lactobacillus brevis alcohol dehydrogenase mutant - K32A | Descriptor: | MAGNESIUM ION, MANGANESE (II) ION, R-specific alcohol dehydrogenase | Authors: | Hermann, J, Nowotny, P, Schneider, S, Hekmat, D, Weuster-Botz, D. | Deposit date: | 2018-09-11 | Release date: | 2018-12-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Rational Crystal Contact Engineering of Lactobacillus brevis Alcohol Dehydrogenase To Promote Technical Protein Crystallization Cryst.Growth Des., 2019
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