7RL4
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7QA9
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![BU of 7qa9 by Molmil](/molmil-images/mine/7qa9) | 10bp DNA/DNA duplex | Descriptor: | DNA (5'-D(*CP*CP*AP*TP*TP*AP*TP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*AP*TP*AP*AP*TP*GP*G)-3') | Authors: | Li, Q, Trajkovski, M, Fan, C, Chen, J, Zhou, Y, Lu, K, Li, H, Su, X, Xi, Z, Plavec, J, Zhou, C. | Deposit date: | 2021-11-16 | Release date: | 2022-11-16 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | 4'-SCF 3 -Labeling Constitutes a Sensitive 19 F NMR Probe for Characterization of Interactions in the Minor Groove of DNA. Angew.Chem.Int.Ed.Engl., 61, 2022
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2F7X
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![BU of 2f7x by Molmil](/molmil-images/mine/2f7x) | Protein Kinase A bound to (S)-2-(1H-Indol-3-yl)-1-[5-((E)-2-pyridin-4-yl-vinyl)-pyridin-3-yloxymethyl]-ethylamine | Descriptor: | (1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)-2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE, PKI, inhibitory peptide, ... | Authors: | Li, Q, Li, T, Zhu, G.D, Gong, J, Claibone, A, Dalton, C, Luo, Y, Johnson, E.F, Shi, Y, Liu, X, Klinghofer, V, Bauch, J.L, Marsh, K.C, Bouska, J.J, Arries, S, De Jong, R, Oltersdorf, T, Stoll, V.S, Jakob, C.G, Rosenberg, S.H, Giranda, V.L. | Deposit date: | 2005-12-01 | Release date: | 2006-06-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of trans-3,4'-bispyridinylethylenes as potent and novel inhibitors of protein kinase B (PKB/Akt) for the treatment of cancer: Synthesis and biological evaluation. Bioorg.Med.Chem.Lett., 16, 2006
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2F7Z
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![BU of 2f7z by Molmil](/molmil-images/mine/2f7z) | Protein Kinase A bound to (R)-1-(1H-Indol-3-ylmethyl)-2-(2-pyridin-4-yl-[1,7]naphtyridin-5-yloxy)-ehylamine | Descriptor: | (1S)-1-(1H-INDOL-3-YLMETHYL)-2-(2-PYRIDIN-4-YL-[1,7]NAPHTYRIDIN-5-YLOXY)-EHYLAMINE, PKI, inhibitory peptide, ... | Authors: | Li, Q, Woods, K.W, Thomas, S, Zhu, G.D, Packard, G, Fisher, J, Li, T, Gong, J, Dinges, J, Song, X, Abrams, J, Luo, Y, Johnson, E.F, Shi, Y, Liu, X, Klinghofer, V, Des Jong, R, Oltersdorf, T, Stoll, V.S, Jakob, C.G, Rosenberg, S.H, Giranda, V.L. | Deposit date: | 2005-12-01 | Release date: | 2006-06-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Synthesis and structure-activity relationship of 3,4'-bispyridinylethylenes: discovery of a potent 3-isoquinolinylpyridine inhibitor of protein kinase B (PKB/Akt) for the treatment of cancer. Bioorg.Med.Chem.Lett., 16, 2006
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1X81
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![BU of 1x81 by Molmil](/molmil-images/mine/1x81) | Farnesyl transferase structure of Jansen compound | Descriptor: | 6-[(S)-AMINO(4-CHLOROPHENYL)(1-METHYL-1H-IMIDAZOL-5-YL)METHYL]-4-(3-CHLOROPHENYL)-1-METHYLQUINOLIN-2(1H)-ONE, Protein farnesyltransferase beta subunit, Protein farnesyltransferase/geranylgeranyltransferase type I alpha subunit, ... | Authors: | Li, Q, Claiborne, A, Li, T, Hasvold, L, Stoll, V.S, Muchmore, S, Jakob, C.G, Gu, W, Cohen, J, Hutchins, C, Frost, D, Rosenberg, S.H, Sham, H.L. | Deposit date: | 2004-08-16 | Release date: | 2004-12-21 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Design, synthesis, and activity of 4-quinolone and pyridone compounds as nonthiol-containing farnesyltransferase inhibitors. Bioorg.Med.Chem.Lett., 14, 2004
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5LGG
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![BU of 5lgg by Molmil](/molmil-images/mine/5lgg) | The N-terminal WD40 domain of Apc1 (Anaphase promoting complex subunit 1) | Descriptor: | Anaphase-promoting complex subunit 1,Anaphase-promoting complex subunit 1,Anaphase-promoting complex subunit 1,Anaphase-promoting complex subunit 1 | Authors: | Li, Q, Aibara, S, Barford, D. | Deposit date: | 2016-07-07 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | WD40 domain of Apc1 is critical for the coactivator-induced allosteric transition that stimulates APC/C catalytic activity. Proc.Natl.Acad.Sci.USA, 113, 2016
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3PFT
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![BU of 3pft by Molmil](/molmil-images/mine/3pft) | Crystal Structure of Untagged C54A Mutant Flavin Reductase (DszD) in Complex with FMN From Mycobacterium goodii | Descriptor: | FLAVIN MONONUCLEOTIDE, Flavin reductase | Authors: | Li, Q, Xu, P, Ma, C, Gu, L, Liu, X, Zhang, C, Li, N, Su, J, Li, B, Liu, S. | Deposit date: | 2010-10-29 | Release date: | 2011-11-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.601 Å) | Cite: | The flavin reductase DSZD from a desulfurizing mycobacterium goodii strain: systemic manipulation and investigation based on the crystal structure To be Published
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2MV6
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2MXB
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1OR5
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![BU of 1or5 by Molmil](/molmil-images/mine/1or5) | SOLUTION STRUCTURE OF THE HOLO-FORM OF THE FRENOLICIN ACYL CARRIER PROTEIN, MINIMIZED MEAN STRUCTURE | Descriptor: | acyl carrier protein | Authors: | Li, Q, Khosla, C, Puglisi, J, Liu, C.W. | Deposit date: | 2003-03-11 | Release date: | 2003-07-01 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution Structure and Backbone Dynamics of the Holo Form of the Frenolicin Acyl Carrier Protein Biochemistry, 42, 2003
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7RK0
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![BU of 7rk0 by Molmil](/molmil-images/mine/7rk0) | Crystal structure of Thermovibrio ammonificans THI4 | Descriptor: | 2-[(E)-[(4R)-5-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-3-oxidanylidene-pentan-2-ylidene]amino]ethanoic acid, FE (III) ION, Thiamine thiazole synthase | Authors: | Li, Q, Bruner, S.D. | Deposit date: | 2021-07-21 | Release date: | 2021-09-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structure and function of aerotolerant, multiple-turnover THI4 thiazole synthases. Biochem.J., 478, 2021
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4ZIC
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3NSS
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![BU of 3nss by Molmil](/molmil-images/mine/3nss) | The 2009 pandemic H1N1 neuraminidase N1 lacks the 150-cavity in its active sites | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ... | Authors: | Li, Q, Qi, J.X, Zhang, W, Vavricka, C.J, Shi, Y, Gao, G.F. | Deposit date: | 2010-07-02 | Release date: | 2010-09-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.902 Å) | Cite: | The 2009 pandemic H1N1 neuraminidase N1 lacks the 150-cavity in its active site Nat.Struct.Mol.Biol., 17, 2010
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4ZHS
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8DJA
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1ZCM
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![BU of 1zcm by Molmil](/molmil-images/mine/1zcm) | Human calpain protease core inhibited by ZLLYCH2F | Descriptor: | CALCIUM ION, Calpain 1, large [catalytic] subunit, ... | Authors: | Li, Q, Hanzlik, R.P, Weaver, R.F, Schonbrunn, E. | Deposit date: | 2005-04-12 | Release date: | 2006-01-31 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular mode of action of a covalently inhibiting peptidomimetic on the human calpain protease core Biochemistry, 45, 2006
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7BJI
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![BU of 7bji by Molmil](/molmil-images/mine/7bji) | Crystal structure of the Danio rerio centrosomal protein Cep135 coiled-coil fragment 64-190 | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Centrosomal protein of 135 kDa, ... | Authors: | Li, Q, Hatzopoulos, G, Iller, O, Vakonakis, I. | Deposit date: | 2021-01-14 | Release date: | 2021-01-27 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Crystal structure of the Danio rerio centrosomal protein Cep135 coiled-coil fragment 64-190 To Be Published
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5TWU
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![BU of 5twu by Molmil](/molmil-images/mine/5twu) | Structure of Maternal Embryonic Leucine Zipper Kinase | Descriptor: | Maternal embryonic leucine zipper kinase | Authors: | Li, Q, Seo, H.-S, Huang, H.-T, Gray, N.S, Dhe-Paganon, S, Eck, M.J. | Deposit date: | 2016-11-14 | Release date: | 2017-11-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.603 Å) | Cite: | MELK is not necessary for the proliferation of basal-like breast cancer cells. Elife, 6, 2017
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5TX3
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![BU of 5tx3 by Molmil](/molmil-images/mine/5tx3) | Structure of Maternal Embryonic Leucine Zipper Kinase | Descriptor: | 7-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-2-({3-[(pyrrolidin-1-yl)methyl]phenyl}amino)-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one, Maternal embryonic leucine zipper kinase | Authors: | Li, Q, Seo, H.-S, Huang, H.-T, Gray, N.S, Dhe-Paganon, S, Eck, M.J. | Deposit date: | 2016-11-15 | Release date: | 2017-11-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | MELK is not necessary for the proliferation of basal-like breast cancer cells. Elife, 6, 2017
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6WK7
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![BU of 6wk7 by Molmil](/molmil-images/mine/6wk7) | Crystal Structure Analysis of a poly(thymine) DNA duplex | Descriptor: | 1,3,5-triazine-2,4,6-triamine, DNA (5'-D(*TP*TP*TP*TP*TP*T)-3') | Authors: | Li, Q, Zhao, J, Liu, L, Mandal, S, Rizzuto, F.J, He, H, Wei, S, Jonchhe, S, Sleiman, H.F, Mao, H, Mao, C. | Deposit date: | 2020-04-15 | Release date: | 2020-07-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.423 Å) | Cite: | A poly(thymine)-melamine duplex for the assembly of DNA nanomaterials. Nat Mater, 19, 2020
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4OE1
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![BU of 4oe1 by Molmil](/molmil-images/mine/4oe1) | Crystal structure of the pentatricopeptide repeat protein PPR10 (C256S/C430S/C449S) in complex with an 18-nt PSAJ rna element | Descriptor: | Chloroplast pentatricopeptide repeat protein 10, PHOSPHATE ION, psaJ RNA | Authors: | Li, Q, Yan, C, Wu, J, Yin, P, Yan, N. | Deposit date: | 2014-01-11 | Release date: | 2014-09-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Examination of the dimerization states of the single-stranded RNA recognition protein pentatricopeptide repeat 10 (PPR10). J.Biol.Chem., 289, 2014
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2MHF
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2MFR
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2I1J
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![BU of 2i1j by Molmil](/molmil-images/mine/2i1j) | Moesin from Spodoptera frugiperda at 2.1 angstroms resolution | Descriptor: | CHLORIDE ION, GLYCEROL, Moesin, ... | Authors: | Li, Q, Nance, M.R, Tesmer, J.J.G. | Deposit date: | 2006-08-14 | Release date: | 2006-12-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Self-masking in an Intact ERM-merlin Protein: An Active Role for the Central alpha-Helical Domain. J.Mol.Biol., 365, 2007
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4FVK
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![BU of 4fvk by Molmil](/molmil-images/mine/4fvk) | Structural and functional characterization of neuraminidase-like molecule N10 derived from bat influenza A virus | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Li, Q, Sun, X.M, Li, Z.X, Liu, Y, Vavricka, C.J, Qi, J.X, Gao, G.F. | Deposit date: | 2012-06-29 | Release date: | 2012-09-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.198 Å) | Cite: | Structural and functional characterization of neuraminidase-like molecule N10 derived from bat influenza A virus Proc.Natl.Acad.Sci.USA, 109, 2012
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