1WOV
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![BU of 1wov by Molmil](/molmil-images/mine/1wov) | Crystal structure of heme oxygenase-2 from Synechocystis sp. PCC 6803 in complex with heme | Descriptor: | Heme oxygenase 2, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sugishima, M, Hagiwara, Y, Zhang, X, Yoshida, T, Migita, C.T, Fukuyama, K. | Deposit date: | 2004-08-26 | Release date: | 2005-03-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structure of dimeric heme oxygenase-2 from Synechocystis sp. PCC 6803 in complex with heme. Biochemistry, 44, 2005
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4C6R
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![BU of 4c6r by Molmil](/molmil-images/mine/4c6r) | Crystal structure of the TIR domain from the Arabidopsis Thaliana disease resistance protein RPS4 | Descriptor: | DISEASE RESISTANCE PROTEIN RPS4 | Authors: | Williams, S.J, Sohn, K.H, Wan, L, Bernoux, M, Ma, Y, Segonzac, C, Ve, T, Sarris, P, Ericsson, D.J, Saucet, S.B, Zhang, X, Parker, J, Dodds, P.N, Jones, J.D.G, Kobe, B. | Deposit date: | 2013-09-19 | Release date: | 2014-05-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural Basis for Assembly and Function of a Heterodimeric Plant Immune Receptor. Science, 344, 2014
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6U9I
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![BU of 6u9i by Molmil](/molmil-images/mine/6u9i) | Crystal structure of BvnE pinacolase from Penicillium brevicompactum | Descriptor: | BvnE, DI(HYDROXYETHYL)ETHER, GLYCEROL | Authors: | Ye, Y, Du, L, Zhang, X, Newmister, S.A, McCauley, M, Alegre-Requena, J.V, Zhang, W, Mu, S, Minami, A, Fraley, A.E, Adrover-Castellano, M.L, Carney, N, Shende, V.V, Oikawa, H, Kato, H, Tsukamoto, S, Paton, R.S, Williams, R.M, Sherman, D.H, Li, S. | Deposit date: | 2019-09-09 | Release date: | 2020-09-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.777 Å) | Cite: | Fungal-derived brevianamide assembly by a stereoselective semipinacolase. Nat Catal, 3, 2020
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7DB7
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![BU of 7db7 by Molmil](/molmil-images/mine/7db7) | Crystal structure of Mycobacterium tuberculosis phenylalanyl-tRNA synthetase in complex with compound GDI05-001 | Descriptor: | 1-[3-[2-(1H-indol-3-yl)ethylsulfamoyl]phenyl]-3-(1,3-thiazol-2-yl)urea, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit, ... | Authors: | Xu, M, Zhang, X, Xu, L, Chen, S. | Deposit date: | 2020-10-19 | Release date: | 2021-01-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Re-discovery of PF-3845 as a new chemical scaffold inhibiting phenylalanyl-tRNA synthetase in Mycobacterium tuberculosis . J.Biol.Chem., 2021
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3QXY
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![BU of 3qxy by Molmil](/molmil-images/mine/3qxy) | Human SETD6 in complex with RelA Lys310 | Descriptor: | 1,2-ETHANEDIOL, N-lysine methyltransferase SETD6, S-ADENOSYLMETHIONINE, ... | Authors: | Chang, Y, Levy, D, Horton, J.R, Peng, J, Zhang, X, Gozani, O, Cheng, X. | Deposit date: | 2011-03-02 | Release date: | 2011-05-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structural basis of SETD6-mediated regulation of the NF-kB network via methyl-lysine signaling. Nucleic Acids Res., 39, 2011
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7DAW
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![BU of 7daw by Molmil](/molmil-images/mine/7daw) | Crystal structure of Mycobacterium tuberculosis phenylalanyl-tRNA synthetase | Descriptor: | Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit, SULFATE ION | Authors: | Xu, M, Zhang, X, Xu, L, Chen, S. | Deposit date: | 2020-10-18 | Release date: | 2021-01-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Re-discovery of PF-3845 as a new chemical scaffold inhibiting phenylalanyl-tRNA synthetase in Mycobacterium tuberculosis . J.Biol.Chem., 2021
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7DB8
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![BU of 7db8 by Molmil](/molmil-images/mine/7db8) | Crystal structure of Mycobacterium tuberculosis phenylalanyl-tRNA synthetase in complex with compound PF-3845 | Descriptor: | N-pyridin-3-yl-4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methyl]piperidine-1-carboxamide, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit, ... | Authors: | Xu, M, Zhang, X, Xu, L, Chen, S. | Deposit date: | 2020-10-19 | Release date: | 2021-01-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Re-discovery of PF-3845 as a new chemical scaffold inhibiting phenylalanyl-tRNA synthetase in Mycobacterium tuberculosis . J.Biol.Chem., 2021
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1WOX
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![BU of 1wox by Molmil](/molmil-images/mine/1wox) | Crystal structure of heme oxygenase-2 from Synechocystis sp. PCC 6803 in complex with heme and NO | Descriptor: | Heme oxygenase 2, NITRIC OXIDE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sugishima, M, Hagiwara, Y, Zhang, X, Yoshida, T, Migita, C.T, Fukuyama, K. | Deposit date: | 2004-08-26 | Release date: | 2005-03-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of dimeric heme oxygenase-2 from Synechocystis sp. PCC 6803 in complex with heme. Biochemistry, 44, 2005
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5COA
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![BU of 5coa by Molmil](/molmil-images/mine/5coa) | Crystal structure of iridoid synthase at 2.2-angstrom resolution | Descriptor: | HEXAETHYLENE GLYCOL, Iridoid synthase, SULFATE ION | Authors: | Qin, L, Zhu, Y, Ding, Z, Zhang, X, Ye, S, Zhang, R. | Deposit date: | 2015-07-20 | Release date: | 2016-03-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of iridoid synthase in complex with NADP(+)/8-oxogeranial reveals the structural basis of its substrate specificity. J.Struct.Biol., 194, 2016
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4DHJ
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![BU of 4dhj by Molmil](/molmil-images/mine/4dhj) | The structure of a ceOTUB1 ubiquitin aldehyde UBC13~Ub complex | Descriptor: | Ubiquitin, Ubiquitin aldehyde, Ubiquitin thioesterase otubain-like, ... | Authors: | Wiener, R, Zhang, X, Wang, T, Wolberger, C. | Deposit date: | 2012-01-27 | Release date: | 2012-02-22 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | The mechanism of OTUB1-mediated inhibition of ubiquitination. Nature, 483, 2012
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4DHZ
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![BU of 4dhz by Molmil](/molmil-images/mine/4dhz) | The structure of h/ceOTUB1-ubiquitin aldehyde-UBC13~Ub | Descriptor: | Ubiquitin, Ubiquitin aldehyde, Ubiquitin thioesterase otubain-like, ... | Authors: | Wiener, R, Zhang, X, Wang, T, Wolberger, C. | Deposit date: | 2012-01-30 | Release date: | 2012-02-22 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | The mechanism of OTUB1-mediated inhibition of ubiquitination. Nature, 483, 2012
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4DKT
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![BU of 4dkt by Molmil](/molmil-images/mine/4dkt) | Crystal structure of human peptidylarginine deiminase 4 in complex with N-acetyl-L-threonyl-L-alpha-aspartyl-N5-[(1E)-2-fluoroethanimidoyl]-L-ornithinamide | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Protein-arginine deiminase type-4, ... | Authors: | Jones, J.E, Slack, J.L, Fang, P, Zhang, X, Subramanian, V, Causey, C.P, Coonrod, S.A, Guo, M, Thompson, P.R. | Deposit date: | 2012-02-04 | Release date: | 2012-02-29 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | Synthesis and Screening of a Haloacetamidine Containing Library To Identify PAD4 Selective Inhibitors. Acs Chem.Biol., 7, 2012
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3RC0
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![BU of 3rc0 by Molmil](/molmil-images/mine/3rc0) | Human SETD6 in complex with RelA Lys310 peptide | Descriptor: | 1,2-ETHANEDIOL, N-lysine methyltransferase SETD6, S-ADENOSYLMETHIONINE, ... | Authors: | Chang, Y, Levy, D, Horton, J.R, Peng, J, Zhang, X, Gozani, O, Cheng, X. | Deposit date: | 2011-03-30 | Release date: | 2011-05-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Structural basis of SETD6-mediated regulation of the NF-kB network via methyl-lysine signaling. Nucleic Acids Res., 39, 2011
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5COB
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![BU of 5cob by Molmil](/molmil-images/mine/5cob) | Crystal structure of iridoid synthase in complex with NADP+ and 8-oxogeranial at 2.65-angstrom resolution | Descriptor: | (2E,6E)-2,6-dimethylocta-2,6-dienedial, Iridoid synthase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Qin, L, Zhu, Y, Ding, Z, Zhang, X, Ye, S, Zhang, R. | Deposit date: | 2015-07-20 | Release date: | 2016-03-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structure of iridoid synthase in complex with NADP(+)/8-oxogeranial reveals the structural basis of its substrate specificity. J.Struct.Biol., 194, 2016
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5CB5
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![BU of 5cb5 by Molmil](/molmil-images/mine/5cb5) | Structural Insights into the Mechanism of Escherichia coli Ymdb | Descriptor: | ACETATE ION, ADENOSINE-5-DIPHOSPHORIBOSE, O-acetyl-ADP-ribose deacetylase, ... | Authors: | Zhang, W, Wang, C, Song, Y, Shao, C, Zhang, X, Zang, J. | Deposit date: | 2015-06-30 | Release date: | 2015-11-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural insights into the mechanism of Escherichia coli YmdB: A 2'-O-acetyl-ADP-ribose deacetylase J.Struct.Biol., 192, 2015
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4AU6
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![BU of 4au6 by Molmil](/molmil-images/mine/4au6) | Location of the dsRNA-dependent polymerase, VP1, in rotavirus particles | Descriptor: | RNA-DEPENDENT RNA POLYMERASE | Authors: | Estrozi, L.F, Settembre, E.C, Goret, G, McClain, B, Zhang, X, Chen, J.Z, Grigorieff, N, Harrison, S.C. | Deposit date: | 2012-05-14 | Release date: | 2012-06-13 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (6 Å) | Cite: | Location of the Dsrna-Dependent Polymerase, Vp1, in Rotavirus Particles. J.Mol.Biol., 425, 2013
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5CMS
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![BU of 5cms by Molmil](/molmil-images/mine/5cms) | Structural Insights into the Mechanism of Escherichia coli Ymdb | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, O-acetyl-ADP-ribose deacetylase, SULFATE ION | Authors: | Zhang, W, Wang, C, Song, Y, Shao, C, Zhang, X, Zang, J. | Deposit date: | 2015-07-17 | Release date: | 2015-11-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | Structural insights into the mechanism of Escherichia coli YmdB: A 2'-O-acetyl-ADP-ribose deacetylase J.Struct.Biol., 192, 2015
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2KA9
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![BU of 2ka9 by Molmil](/molmil-images/mine/2ka9) | Solution structure of PSD-95 PDZ12 complexed with cypin peptide | Descriptor: | Disks large homolog 4, cypin peptide | Authors: | Wang, W.N, Weng, J.W, Zhang, X, Liu, M.L, Zhang, M.J. | Deposit date: | 2008-11-03 | Release date: | 2009-06-23 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Creating conformational entropy by increasing interdomain mobility in ligand binding regulation: a revisit to N-terminal tandem PDZ domains of PSD-95 J.Am.Chem.Soc., 131, 2009
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3SVM
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![BU of 3svm by Molmil](/molmil-images/mine/3svm) | Human MPP8 - human DNMT3AK47me2 peptide | Descriptor: | DNA (cytosine-5)-methyltransferase 3A, M-phase phosphoprotein 8 | Authors: | Chang, Y, Horton, J.R, Zhang, X, Cheng, X. | Deposit date: | 2011-07-12 | Release date: | 2011-11-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | MPP8 mediates the interactions between DNA methyltransferase Dnmt3a and H3K9 methyltransferase GLP/G9a. Nat Commun, 2, 2011
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3PU3
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![BU of 3pu3 by Molmil](/molmil-images/mine/3pu3) | PHF2 Jumonji domain-NOG complex | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, N-OXALYLGLYCINE, ... | Authors: | Horton, J.R, Upadhyay, A.K, Hashimoto, H, Zhang, X, Cheng, X. | Deposit date: | 2010-12-03 | Release date: | 2011-01-26 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural basis for human PHF2 Jumonji domain interaction with metal ions. J.Mol.Biol., 406, 2011
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3SW9
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![BU of 3sw9 by Molmil](/molmil-images/mine/3sw9) | GLP (G9a-like protein) SET domain in complex with Dnmt3aK44me0 peptide | Descriptor: | DNA (cytosine-5)-methyltransferase 3A, Histone-lysine N-methyltransferase EHMT1, SINEFUNGIN, ... | Authors: | Chang, Y, Horton, J.R, Zhang, X, Cheng, X. | Deposit date: | 2011-07-13 | Release date: | 2011-12-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | MPP8 mediates the interactions between DNA methyltransferase Dnmt3a and H3K9 methyltransferase GLP/G9a. Nat Commun, 2, 2011
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4C6T
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![BU of 4c6t by Molmil](/molmil-images/mine/4c6t) | Crystal structure of the RPS4 and RRS1 TIR domain heterodimer | Descriptor: | DISEASE RESISTANCE PROTEIN RPS4, MALONIC ACID, PROBABLE WRKY TRANSCRIPTION FACTOR 52 | Authors: | Williams, S.J, Sohn, K.H, Wan, L, Bernoux, M, Ma, Y, Segonzac, C, Ve, T, Sarris, P, Ericsson, D.J, Saucet, S.B, Zhang, X, Parker, J, Dodds, P.N, Jones, J.D.G, Kobe, B. | Deposit date: | 2013-09-19 | Release date: | 2014-05-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural Basis for Assembly and Function of a Heterodimeric Plant Immune Receptor. Science, 344, 2014
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3SWC
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![BU of 3swc by Molmil](/molmil-images/mine/3swc) | GLP (G9a-like protein) SET domain in complex with Dnmt3aK44me2 peptide | Descriptor: | DNA (cytosine-5)-methyltransferase 3A, Histone-lysine N-methyltransferase EHMT1, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Chang, Y, Horton, J.R, Zhang, X, Cheng, X. | Deposit date: | 2011-07-13 | Release date: | 2011-11-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.332 Å) | Cite: | MPP8 mediates the interactions between DNA methyltransferase Dnmt3a and H3K9 methyltransferase GLP/G9a. Nat Commun, 2, 2011
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3QO2
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![BU of 3qo2 by Molmil](/molmil-images/mine/3qo2) | Structural insights for MPP8 chromodomain interaction with histone H3 lysine 9 | Descriptor: | 1,2-ETHANEDIOL, Histone H3 peptide, M-phase phosphoprotein 8 | Authors: | Chang, Y, Horton, J.R, Bedford, M.T, Zhang, X, Cheng, X. | Deposit date: | 2011-02-09 | Release date: | 2011-04-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Structural insights for MPP8 chromodomain interaction with histone H3 lysine 9: potential effect of phosphorylation on methyl-lysine binding. J.Mol.Biol., 408, 2011
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4DFF
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![BU of 4dff by Molmil](/molmil-images/mine/4dff) | The SAR development of dihydroimidazoisoquinoline derivatives as phosphodiesterase 10A inhibitors for the treatment of schizophrenia | Descriptor: | 8,9-dimethoxy-1-(1,3-thiazol-5-yl)-5,6-dihydroimidazo[5,1-a]isoquinoline, MAGNESIUM ION, ZINC ION, ... | Authors: | Ho, G.D, Seganish, W.M, Bercovici, A, Tulshian, D, Greenlee, W.J, Van Rijn, R, Hruza, A, Xiao, L, Rindgen, D, Mullins, D, Guzzi, M, Zhang, X, Bleichardt, C, Hodgson, R. | Deposit date: | 2012-01-23 | Release date: | 2012-03-14 | Last modified: | 2012-04-04 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | The SAR development of dihydroimidazoisoquinoline derivatives as phosphodiesterase 10A inhibitors for the treatment of schizophrenia. Bioorg.Med.Chem.Lett., 22, 2012
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