3PSB
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![BU of 3psb by Molmil](/molmil-images/mine/3psb) | Furo[2,3-c]pyridine-based Indanone Oximes as Potent and Selective B-Raf Inhibitors | Descriptor: | B-RAF PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE, ethyl 3-{[1-(hydroxyamino)-2H-inden-5-yl]amino}thieno[2,3-c]pyridine-2-carboxylate | Authors: | Morales, T, Vigers, G.P.A, Brandhuber, B.J. | Deposit date: | 2010-12-01 | Release date: | 2011-01-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | The Discovery of furo[2,3-c]pyridine-based indanone oximes as potent and selective B-Raf inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
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4FZJ
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![BU of 4fzj by Molmil](/molmil-images/mine/4fzj) | Pantothenate synthetase in complex with 1,3-DIMETHYL-1H-THIENO[2,3-C]PYRAZOLE-5-CARBOXYLIC ACID | Descriptor: | 1,2-ETHANEDIOL, 1,3-dimethyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid, ETHANOL, ... | Authors: | Silvestre, H.L, Blundell, T.L, Abell, C, Ciulli, A. | Deposit date: | 2012-07-06 | Release date: | 2013-06-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Integrated biophysical approach to fragment screening and validation for fragment-based lead discovery. Proc.Natl.Acad.Sci.USA, 110, 2013
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3PUJ
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![BU of 3puj by Molmil](/molmil-images/mine/3puj) | Crystal structure of the MUNC18-1 and SYNTAXIN4 N-Peptide complex | Descriptor: | Syntaxin-4 N-terminal peptide, Syntaxin-binding protein 1 | Authors: | Hu, S.-H, Christie, M.P, Saez, N.J, Latham, C.F, Jarrott, R, Lua, L.H.L, Collins, B.M, Martin, J.L. | Deposit date: | 2010-12-05 | Release date: | 2011-01-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.313 Å) | Cite: | Possible roles for Munc18-1 domain 3a and Syntaxin1 N-peptide and C-terminal anchor in SNARE complex formation Proc.Natl.Acad.Sci.USA, 108, 2011
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1R5S
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![BU of 1r5s by Molmil](/molmil-images/mine/1r5s) | Connexin 43 Carboxyl Terminal Domain | Descriptor: | Gap junction alpha-1 protein | Authors: | Sorgen, P.L, Duffy, H.S, Mario, D, Sahoo, P, Coombs, W, Delmar, M, Spray, D.C. | Deposit date: | 2003-10-13 | Release date: | 2004-10-26 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structural changes in the carboxyl terminus of the gap junction protein connexin43 indicates signaling between binding domains for c-Src and zonula occludens-1 J.Biol.Chem., 279, 2004
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2JZY
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![BU of 2jzy by Molmil](/molmil-images/mine/2jzy) | |
219D
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![BU of 219d by Molmil](/molmil-images/mine/219d) | |
2KB6
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![BU of 2kb6 by Molmil](/molmil-images/mine/2kb6) | Solution structure of onconase C87A/C104A | Descriptor: | Protein P-30 | Authors: | Weininger, U, Schulenburg, C, Arnold, U, Ulbrich-Hofmann, R, Balbach, J. | Deposit date: | 2008-11-21 | Release date: | 2009-11-24 | Last modified: | 2021-11-10 | Method: | SOLUTION NMR | Cite: | Impact of the C-terminal disulfide bond on the folding and stability of onconase. Chembiochem, 11, 2010
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2N1G
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![BU of 2n1g by Molmil](/molmil-images/mine/2n1g) | |
2QSR
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![BU of 2qsr by Molmil](/molmil-images/mine/2qsr) | Crystal structure of C-terminal domain of transcription-repair coupling factor | Descriptor: | Transcription-repair coupling factor | Authors: | Ramagopal, U.A, Toro, R, Gilmore, M, Bain, K, Iizuka, M, Wasserman, S, Rodgers, L, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2007-07-31 | Release date: | 2007-09-11 | Last modified: | 2021-02-03 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure of C-terminal domain of transcription-repair coupling factor. To be Published
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3TXO
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![BU of 3txo by Molmil](/molmil-images/mine/3txo) | PKC eta kinase in complex with a naphthyridine | Descriptor: | 2-methyl-N~1~-[3-(pyridin-4-yl)-2,6-naphthyridin-1-yl]propane-1,2-diamine, Protein kinase C eta type | Authors: | Stark, W, Rummel, G, Cowan-Jacob, S.W. | Deposit date: | 2011-09-23 | Release date: | 2011-11-30 | Last modified: | 2011-12-07 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | 2,6-Naphthyridines as potent and selective inhibitors of the novel protein kinase C isozymes. Bioorg.Med.Chem.Lett., 21, 2011
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3O5N
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![BU of 3o5n by Molmil](/molmil-images/mine/3o5n) | Tetrahydroquinoline carboxylates are potent inhibitors of the Shank PDZ domain, a putative target in autism disorders | Descriptor: | (3aS,4R,9bR)-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4,6-dicarboxylic acid, SH3 and multiple ankyrin repeat domains protein 3 | Authors: | Saupe, J, Roske, Y, Schillinger, C, Kamdem, N, Radetzki, S, Diehl, A, Oschkinat, H, Krause, G, Heinemann, U, Rademann, J. | Deposit date: | 2010-07-28 | Release date: | 2011-06-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Discovery, structure-activity relationship studies, and crystal structure of nonpeptide inhibitors bound to the shank3 PDZ domain. Chemmedchem, 6, 2011
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2O7Y
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![BU of 2o7y by Molmil](/molmil-images/mine/2o7y) | Duplex DNA containing an abasic site with an opposite T (alpha anomer) in 5'-G_AC-3' (10 structure ensemble and averaged structure) | Descriptor: | 5'-D(*CP*CP*AP*AP*AP*GP*(ORP)P*AP*CP*CP*GP*GP*G)-3', 5'-D(*CP*CP*CP*GP*GP*TP*TP*CP*TP*TP*TP*GP*G)-3' | Authors: | Dupradeau, F.Y, Case, D.A, Turner, C.J, Stubbe, J. | Deposit date: | 2006-12-11 | Release date: | 2007-11-27 | Last modified: | 2023-11-29 | Method: | SOLUTION NMR | Cite: | DNA oligonucleotides with A, T, G or C opposite an abasic site: structure and dynamics. Nucleic Acids Res., 36, 2008
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2LPN
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![BU of 2lpn by Molmil](/molmil-images/mine/2lpn) | Solution Structure of N-Terminal domain of human Conserved Dopamine Neurotrophic Factor (CDNF) | Descriptor: | Cerebral dopamine neurotrophic factor | Authors: | Latge, C, Cabral, K.M.S, Foguel, D, Pires, J.R.M, Almeida, M.S. | Deposit date: | 2012-02-15 | Release date: | 2013-02-20 | Last modified: | 2013-05-22 | Method: | SOLUTION NMR | Cite: | (1)H-, (13)C- and (15)N-NMR assignment of the N-terminal domain of human cerebral dopamine neurotrophic factor (CDNF). Biomol.Nmr Assign., 7, 2013
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2L0I
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![BU of 2l0i by Molmil](/molmil-images/mine/2l0i) | Solution structure of Rtt103 CTD-interacting domain bound to a Ser2 phosphorylated CTD peptide | Descriptor: | DNA-directed RNA polymerase, Regulator of Ty1 transposition protein 103 | Authors: | Lunde, B.M, Reichow, S.L, Kim, M, Suh, H, Leeper, T.C, Yang, F, Mutschler, H, Buratowski, S, Meinhart, A, Varani, G. | Deposit date: | 2010-07-06 | Release date: | 2010-09-08 | Last modified: | 2011-07-13 | Method: | SOLUTION NMR | Cite: | Cooperative interaction of transcription termination factors with the RNA polymerase II C-terminal domain. Nat.Struct.Mol.Biol., 17, 2010
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2L44
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![BU of 2l44 by Molmil](/molmil-images/mine/2l44) | C-terminal zinc knuckle of the HIVNCp7 | Descriptor: | C-terminal Zinc Knucle of the HIV-NCP7, ZINC ION | Authors: | Quintal, S.M.O, Viegas, A.J.M, Cabrita, E.J, Farrell, N.P, Erhardt, S. | Deposit date: | 2010-10-01 | Release date: | 2011-10-12 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Platinated DNA affects zinc finger conformation. Interaction of a platinated single-stranded oligonucleotide and the C-terminal zinc finger of nucleocapsid protein HIVNCp7. Biochemistry, 51, 2012
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2KD7
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![BU of 2kd7 by Molmil](/molmil-images/mine/2kd7) | Solution NMR structure of F5/8 type C-terminal domain of a putative chitobiase from Bacteroides thetaiotaomicron. Northeast Structural Genomics Consortium target BtR324B | Descriptor: | Putative chitobiase | Authors: | Eletsky, A, Mills, J.L, Lee, H, Lee, D, Jiang, M, Ciccosanti, C, Xiao, R, Nair, R, Everett, J.K, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Prestegard, J.H, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2009-01-04 | Release date: | 2009-02-03 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution NMR structure of F5/8 type C-terminal domain of a putative chitobiase from Bacteroides thetaiotaomicron. To be Published
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3S0D
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![BU of 3s0d by Molmil](/molmil-images/mine/3s0d) | Apis mellifera OBP 14 in complex with the citrus odorant citralva (3,7-dimethylocta-2,6-dienenitrile) | Descriptor: | (2Z)-3,7-dimethylocta-2,6-dienenitrile, OBP14 | Authors: | Spinelli, S, Lagarde, A, Iovinella, I, Tegoni, M, Pelosi, P, Cambillau, C. | Deposit date: | 2011-05-13 | Release date: | 2011-11-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Crystal structure of Apis mellifera OBP14, a C-minus odorant-binding protein, and its complexes with odorant molecules. Insect Biochem.Mol.Biol., 42, 2012
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2O80
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![BU of 2o80 by Molmil](/molmil-images/mine/2o80) | Duplex DNA containing an abasic site with an opposite dC (alpha anomer) in 5'-G_AC-3' (10 structure ensemble and averaged structure) | Descriptor: | 5'-D(*CP*CP*AP*AP*AP*GP*(ORP)P*AP*CP*CP*GP*GP*G)-3', 5'-D(*CP*CP*CP*GP*GP*TP*CP*CP*TP*TP*TP*GP*G)-3' | Authors: | Chen, J, Dupradeau, F.Y, Case, D.A, Turner, C.J, Stubbe, J. | Deposit date: | 2006-12-11 | Release date: | 2007-11-27 | Last modified: | 2023-11-29 | Method: | SOLUTION NMR | Cite: | DNA oligonucleotides with A, T, G or C opposite an abasic site: structure and dynamics. Nucleic Acids Res., 36, 2008
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3S0B
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![BU of 3s0b by Molmil](/molmil-images/mine/3s0b) | Apis mellifera OBP14 in complex with the fluorescent probe 1-N-phenylnaphthylamine (NPN) | Descriptor: | N-phenylnaphthalen-1-amine, OBP14 | Authors: | Spinelli, S, Lagarde, A, Iovinella, I, Tegoni, M, Pelosi, P, Cambillau, C. | Deposit date: | 2011-05-13 | Release date: | 2011-11-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Crystal structure of Apis mellifera OBP14, a C-minus odorant-binding protein, and its complexes with odorant molecules. Insect Biochem.Mol.Biol., 42, 2012
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2O7W
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![BU of 2o7w by Molmil](/molmil-images/mine/2o7w) | Duplex DNA containing an abasic site with an opposite G (alpha anomer) in 5'-G_AC-3' (10 structure ensemble and averaged structure) | Descriptor: | 5'-D(*CP*CP*AP*AP*AP*GP*(ORP)P*AP*CP*CP*GP*GP*G)-3', 5'-D(*CP*CP*CP*GP*GP*TP*GP*CP*TP*TP*TP*GP*G)-3' | Authors: | Chen, J, Dupradeau, F.Y, Case, D.A, Turner, C.J, Stubbe, J. | Deposit date: | 2006-12-11 | Release date: | 2007-11-27 | Last modified: | 2023-11-29 | Method: | SOLUTION NMR | Cite: | DNA oligonucleotides with A, T, G or C opposite an abasic site: structure and dynamics. Nucleic Acids Res., 36, 2008
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4HZL
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![BU of 4hzl by Molmil](/molmil-images/mine/4hzl) | |
2O7Z
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![BU of 2o7z by Molmil](/molmil-images/mine/2o7z) | Duplex DNA containing an abasic site with an opposite T (beta anomer) in 5'-G_AC-3' (10 structure ensemble and averaged structure) | Descriptor: | 5'-D(*CP*CP*AP*AP*AP*GP*(AAB)P*AP*CP*CP*GP*GP*G)-3', 5'-D(*CP*CP*CP*GP*GP*TP*TP*CP*TP*TP*TP*GP*G)-3' | Authors: | Chen, J, Dupradeau, F.Y, Case, D.A, Turner, C.J, Stubbe, J. | Deposit date: | 2006-12-11 | Release date: | 2007-11-27 | Last modified: | 2023-11-29 | Method: | SOLUTION NMR | Cite: | DNA oligonucleotides with A, T, G or C opposite an abasic site: structure and dynamics. Nucleic Acids Res., 36, 2008
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4HXK
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![BU of 4hxk by Molmil](/molmil-images/mine/4hxk) | Brd4 Bromodomain 1 complex with 6,7-DIHYDROTHIENO[3,2-C]PYRIDIN-5(4H)-YL(1H-IMIDAZOL-1-YL)METHANONE inhibitor | Descriptor: | 6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl(1H-imidazol-1-yl)methanone, Bromodomain-containing protein 4 | Authors: | Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. | Deposit date: | 2012-11-12 | Release date: | 2013-04-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain. J.Med.Chem., 56, 2013
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2O82
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![BU of 2o82 by Molmil](/molmil-images/mine/2o82) | Duplex DNA containing an abasic site with an opposite dC (beta anomer) in 5'-G_AC-3' (10 structure ensemble and averaged structure) | Descriptor: | 5'-D(*CP*CP*AP*AP*AP*GP*(AAB)P*AP*CP*CP*GP*GP*G)-3', 5'-D(*CP*CP*CP*GP*GP*TP*CP*CP*TP*TP*TP*GP*G)-3' | Authors: | Chen, J, Dupradeau, F.Y, Case, D.A, Turner, C.J, Stubbe, J. | Deposit date: | 2006-12-11 | Release date: | 2007-11-27 | Last modified: | 2023-11-29 | Method: | SOLUTION NMR | Cite: | DNA oligonucleotides with A, T, G or C opposite an abasic site: structure and dynamics. Nucleic Acids Res., 36, 2008
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2O7X
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![BU of 2o7x by Molmil](/molmil-images/mine/2o7x) | Duplex DNA containing an abasic site with an opposite G (beta anomer) in 5'-G_AC-3' (10 structure ensemble and averaged structure) | Descriptor: | 5'-D(*CP*CP*AP*AP*AP*GP*(AAB)P*AP*CP*CP*GP*GP*G)-3', 5'-D(*CP*CP*CP*GP*GP*TP*GP*CP*TP*TP*TP*GP*G)-3' | Authors: | Chen, J, Dupradeau, F.Y, Case, D.A, Turner, C.J, Stubbe, J. | Deposit date: | 2006-12-11 | Release date: | 2007-11-27 | Last modified: | 2023-11-29 | Method: | SOLUTION NMR | Cite: | DNA oligonucleotides with A, T, G or C opposite an abasic site: structure and dynamics. Nucleic Acids Res., 36, 2008
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