3DJ6
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![BU of 3dj6 by Molmil](/molmil-images/mine/3dj6) | Crystal structure of the mouse Aurora-A catalytic domain (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex with Compound 823. | Descriptor: | 4-methoxy-N-phenyl-3-({3-[(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)sulfanyl]propanoyl}amino)benzamide, serine/threonine kinase 6 | Authors: | Elling, R.A, Erlanson, D.A, Yang, W, Tangonan, B.T, Hansen, S.K, Romanowski, M.J. | Deposit date: | 2008-06-22 | Release date: | 2009-05-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | New fragment-based drug discovery To be Published
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7W5X
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![BU of 7w5x by Molmil](/molmil-images/mine/7w5x) | Cryo-EM structure of SoxS-dependent transcription activation complex with zwf promoter DNA | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | Authors: | Lin, W, Feng, Y, Shi, J. | Deposit date: | 2021-11-30 | Release date: | 2022-10-26 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural basis of three different transcription activation strategies adopted by a single regulator SoxS. Nucleic Acids Res., 50, 2022
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7W5W
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5C4Q
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![BU of 5c4q by Molmil](/molmil-images/mine/5c4q) | Crystal Structure Analysis of bromodomain from Leishmania donovani complexed with bromosporine | Descriptor: | Bromodomain, Bromosporine, UNKNOWN ATOM OR ION | Authors: | Jiang, D.Q, Tempel, W, Loppnau, P, Graslund, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Amani, M, Hou, C.F.D, Structural Genomics Consortium (SGC) | Deposit date: | 2015-06-18 | Release date: | 2015-07-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.932 Å) | Cite: | Crystal Structure Analysis of bromodomain from Leishmania donovani complexed with bromosporine to be published
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2IAE
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![BU of 2iae by Molmil](/molmil-images/mine/2iae) | Crystal structure of a protein phosphatase 2A (PP2A) holoenzyme. | Descriptor: | MANGANESE (II) ION, Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit gamma isoform, Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform, ... | Authors: | Cho, U.S, Xu, W. | Deposit date: | 2006-09-07 | Release date: | 2006-12-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Crystal structure of a protein phosphatase 2A heterotrimeric holoenzyme. Nature, 445, 2007
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1NN7
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7ZUB
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![BU of 7zub by Molmil](/molmil-images/mine/7zub) | Cryo-EM structure of the indirubin-bound Hsp90-XAP2-AHR complex | Descriptor: | (3~{Z})-3-(3-oxidanylidene-1~{H}-indol-2-ylidene)-1~{H}-indol-2-one, ADENOSINE-5'-DIPHOSPHATE, AH receptor-interacting protein, ... | Authors: | Gruszczyk, J, Savva, C.G, Lai-Kee-Him, J, Bous, J, Ancelin, A, Kwong, H.S, Grandvuillemin, L, Bourguet, W. | Deposit date: | 2022-05-12 | Release date: | 2022-11-23 | Last modified: | 2022-12-07 | Method: | ELECTRON MICROSCOPY (2.85 Å) | Cite: | Cryo-EM structure of the agonist-bound Hsp90-XAP2-AHR cytosolic complex. Nat Commun, 13, 2022
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1OCT
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![BU of 1oct by Molmil](/molmil-images/mine/1oct) | CRYSTAL STRUCTURE OF THE OCT-1 POU DOMAIN BOUND TO AN OCTAMER SITE: DNA RECOGNITION WITH TETHERED DNA-BINDING MODULES | Descriptor: | DNA (5'-D(*AP*CP*CP*TP*TP*AP*TP*TP*TP*GP*CP*AP*TP*AP*C)-3'), DNA (5'-D(*TP*GP*TP*AP*TP*GP*CP*AP*AP*AP*TP*AP*AP*GP*G)-3'), PROTEIN (OCT-1 POU DOMAIN) | Authors: | Klemm, J.D, Rould, M.A, Aurora, R, Herr, W, Pabo, C.O. | Deposit date: | 1994-05-09 | Release date: | 1994-08-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of the Oct-1 POU domain bound to an octamer site: DNA recognition with tethered DNA-binding modules. Cell(Cambridge,Mass.), 77, 1994
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1NU8
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![BU of 1nu8 by Molmil](/molmil-images/mine/1nu8) | Crystal structure of human dipeptidyl peptidase IV (DPP-IV) in complex with Diprotin A (IPI) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-mer peptide, Dipeptidyl peptidase IV | Authors: | Thoma, R, Loeffler, B, Stihle, M, Huber, W, Ruf, A, Hennig, M. | Deposit date: | 2003-01-31 | Release date: | 2003-08-26 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Basis of Proline-Specific Exopeptidase Activity as Observed in Human Dipeptidyl Peptidase-IV. Structure, 11, 2003
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3WUG
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![BU of 3wug by Molmil](/molmil-images/mine/3wug) | The mutant crystal structure of b-1,4-Xylanase (XynAS9_V43P/G44E) with xylobiose from Streptomyces sp. 9 | Descriptor: | Endo-1,4-beta-xylanase A, ZINC ION, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose | Authors: | Chen, C.C, Han, X, Lv, P, Ko, T.P, Peng, W, Huang, C.H, Zheng, Y, Gao, J, Yang, Y.Y, Guo, R.T. | Deposit date: | 2014-04-23 | Release date: | 2014-10-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Structural perspectives of an engineered beta-1,4-xylanase with enhanced thermostability. J.Biotechnol., 189C, 2014
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2I8B
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3IU1
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![BU of 3iu1 by Molmil](/molmil-images/mine/3iu1) | Crystal Structure of human type-I N-myristoyltransferase with bound myristoyl-CoA | Descriptor: | Glycylpeptide N-tetradecanoyltransferase 1, TETRADECANOYL-COA | Authors: | Qiu, W, Hutchinson, A, Wernimont, A, Lin, Y.-H, Kania, A, Ravichandran, M, Kozieradzki, I, Cossar, D, Schapira, M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Wyatt, P.G, Ferguson, M.A.J, Frearson, J.A, Brand, S.Y, Robinson, D.A, Bochkarev, A, Hui, R, Structural Genomics Consortium (SGC) | Deposit date: | 2009-08-29 | Release date: | 2009-09-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Crystal Structure of human type-I N-myristoyltransferase with bound myristoyl-CoA To be Published
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3F5J
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![BU of 3f5j by Molmil](/molmil-images/mine/3f5j) | Semi-active E176Q mutant of rice BGlu1, a plant exoglucanase/beta-glucosidase | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-glucosidase, SULFATE ION, ... | Authors: | Chuenchor, W, Ketudat Cairns, J.R, Pengthaisong, S, Robinson, R.C, Yuvaniyama, J, Chen, C.-J. | Deposit date: | 2008-11-03 | Release date: | 2009-11-03 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The structural basis of oligosaccharide binding by rice BGlu1 beta-glucosidase J.Struct.Biol., 173, 2011
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4ZAH
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![BU of 4zah by Molmil](/molmil-images/mine/4zah) | Crystal structure of sugar aminotransferase WecE with External Aldimine VII from Escherichia coli K-12 | Descriptor: | [[(2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3R,4S,5R,6R)-6-methyl-5-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3,4-bis(oxidanyl)oxan-2-yl] hydrogen phosphate, dTDP-4-amino-4,6-dideoxygalactose transaminase | Authors: | Wang, F, Singh, S, Cao, H, Xu, W, Miller, M.D, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2015-04-13 | Release date: | 2015-04-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Structural Basis for the Stereochemical Control of Amine Installation in Nucleotide Sugar Aminotransferases. Acs Chem.Biol., 10, 2015
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3IP2
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![BU of 3ip2 by Molmil](/molmil-images/mine/3ip2) | Crystal structure of red fluorescent protein Neptune at pH 7.0 | Descriptor: | Neptune red fluorescent protein | Authors: | Lin, M.Z, McKeown, M.R, Ng, H.L, Aguilera, T.A, Shaner, N.C, Ma, W, Adams, S.R, Campbell, R.E, Alber, T, Tsien, R.Y. | Deposit date: | 2009-08-15 | Release date: | 2009-12-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Autofluorescent proteins with excitation in the optical window for intravital imaging in mammals. Chem.Biol., 16, 2009
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3WOM
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![BU of 3wom by Molmil](/molmil-images/mine/3wom) | Crystal structure of the DAP BII dipeptide complex II | Descriptor: | GLYCEROL, TYROSINE, VALINE, ... | Authors: | Sakamoto, Y, Suzuki, Y, Iizuka, I, Tateoka, C, Roppongi, S, Fujimoto, M, Nonaka, T, Ogasawara, W, Tanaka, N. | Deposit date: | 2013-12-29 | Release date: | 2014-09-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | S46 peptidases are the first exopeptidases to be members of clan PA SCI REP, 4, 2014
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3ITB
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![BU of 3itb by Molmil](/molmil-images/mine/3itb) | Crystal structure of Penicillin-Binding Protein 6 (PBP6) from E. coli in complex with a substrate fragment | Descriptor: | D-alanyl-D-alanine carboxypeptidase DacC, Peptidoglycan substrate (AMV)A(FGA)K(DAL)(DAL), SULFATE ION, ... | Authors: | Chen, Y, Zhang, W, Shi, Q, Hesek, D, Lee, M, Mobashery, S, Shoichet, B.K. | Deposit date: | 2009-08-27 | Release date: | 2009-10-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structures of penicillin-binding protein 6 from Escherichia coli. J.Am.Chem.Soc., 131, 2009
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3WQM
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![BU of 3wqm by Molmil](/molmil-images/mine/3wqm) | Crystal structure of Rv3378c with inhibitor BPH-629 | Descriptor: | Diterpene synthase, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Chan, H.C, Feng, X, Ko, T.P, Huang, C.H, Hu, Y, Zheng, Y, Bogue, S, Nakano, C, Hoshino, T, Zhang, L, Lv, P, Liu, W, Crick, D.C, Liang, P.H, Wang, A.H, Oldfield, E, Guo, R.T. | Deposit date: | 2014-01-28 | Release date: | 2014-02-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure and inhibition of tuberculosinol synthase and decaprenyl diphosphate synthase from Mycobacterium tuberculosis. J.Am.Chem.Soc., 136, 2014
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4YY9
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![BU of 4yy9 by Molmil](/molmil-images/mine/4yy9) | The structure of hemagglutinin from a H6N1 influenza virus (A/Taiwan/2/2013) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HA1, HA2, ... | Authors: | Wang, F, Qi, J, Bi, Y, Zhang, W, Wang, M, Wang, M, Liu, J, Yan, J, Shi, Y, Gao, G.F. | Deposit date: | 2015-03-23 | Release date: | 2016-04-13 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.601 Å) | Cite: | Structure of hemagglutinin from a H6N1 influenza virus (A/Taiwan/2/2013) at 2.6 Angstroms resolution To Be Published
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3IW4
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![BU of 3iw4 by Molmil](/molmil-images/mine/3iw4) | Crystal structure of PKC alpha in complex with NVP-AEB071 | Descriptor: | 3-(1H-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]-1H-pyrrole-2,5-dione, Protein kinase C alpha type | Authors: | Stark, W, Rummel, G, Strauss, A, Cowan-Jacob, S.W. | Deposit date: | 2009-09-02 | Release date: | 2009-11-03 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of 3-(1H-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]pyrrole-2,5-dione (AEB071), a potent and selective inhibitor of protein kinase C isotypes J.Med.Chem., 52, 2009
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2I81
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![BU of 2i81 by Molmil](/molmil-images/mine/2i81) | Crystal Structure of Plasmodium vivax 2-Cys Peroxiredoxin, Reduced | Descriptor: | 2-Cys Peroxiredoxin | Authors: | Artz, J.D, Qiu, W, Dong, A, Lew, J, Ren, H, Zhao, Y, Kozieradski, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Structural Genomics Consortium (SGC) | Deposit date: | 2006-08-31 | Release date: | 2006-09-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Crystal Structure of Plasmodium vivax 2-Cys Peroxiredoxin, Reduced To be published
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2I8L
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4Z0L
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![BU of 4z0l by Molmil](/molmil-images/mine/4z0l) | The murine cyclooxygenase-2 complexed with a nido-dicarbaborate-containing indomethacin derivative | Descriptor: | (R)-7-{[5-methoxy-2-methyl-3-(methoxycarbonylmethyl)-1H-indolyl]carbonyl}-7,8-dicarba-nido-dodeca-hydroundecaborate, (S)-7-{[5-methoxy-2-methyl-3-(methoxycarbonylmethyl)-1H-indolyl]carbonyl}-7,8-dicarba-nido-dodeca-hydroundecaborate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Xu, S, Neumann, W, Banerjee, S, Hey-Hawkins, E, Marnett, L.J. | Deposit date: | 2015-03-26 | Release date: | 2015-06-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | nido-Dicarbaborate Induces Potent and Selective Inhibition of Cyclooxygenase-2. Chemmedchem, 11, 2016
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2IA2
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![BU of 2ia2 by Molmil](/molmil-images/mine/2ia2) | The crystal structure of a putative transcriptional regulator RHA06195 from Rhodococcus sp. RHA1 | Descriptor: | Putative Transcriptional Regulator | Authors: | Cymborowski, M.T, Chruszcz, M, Skarina, T, Onopriyenko, O, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2006-09-06 | Release date: | 2006-10-10 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The crystal structure of a putative transcriptional regulator RHA06195 from Rhodococcus sp. RHA1 To be Published
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4YY7
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![BU of 4yy7 by Molmil](/molmil-images/mine/4yy7) | The structure of hemagglutinin from a H6N1 influenza virus (A/chicken/Taiwan/A2837/2013) in complex with avian receptor analog 3'SLNLN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HA1, ... | Authors: | Wang, F, Qi, J, Bi, Y, Zhang, W, Wang, M, Wang, M, Liu, J, Yan, J, Shi, Y, Gao, G.F. | Deposit date: | 2015-03-23 | Release date: | 2016-03-23 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Structure of hemagglutinin from a H6N1 influenza virus (A/chicken/Taiwan/A2837/2013) To Be Published
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