5IAY
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![BU of 5iay by Molmil](/molmil-images/mine/5iay) | NMR structure of UHRF1 Tandem Tudor Domains in a complex with Spacer peptide | Descriptor: | E3 ubiquitin-protein ligase UHRF1, Spacer | Authors: | Fang, J, Cheng, J, Wang, J, Zhang, Q, Liu, M, Gong, R, Wang, P, Zhang, X, Feng, Y, Lan, W, Gong, Z, Tang, C, Wong, J, Yang, H, Cao, C, Xu, Y. | Deposit date: | 2016-02-22 | Release date: | 2016-04-20 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Hemi-methylated DNA opens a closed conformation of UHRF1 to facilitate its histone recognition Nat Commun, 7, 2016
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2BM2
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![BU of 2bm2 by Molmil](/molmil-images/mine/2bm2) | human beta-II tryptase in complex with 4-(3-Aminomethyl-phenyl)- piperidin-1-yl-(5-phenethyl- pyridin-3-yl)-methanone | Descriptor: | 1-[3-(1-{[5-(2-PHENYLETHYL)PYRIDIN-3-YL]CARBONYL}PIPERIDIN-4-YL)PHENYL]METHANAMINE, HUMAN BETA2 TRYPTASE | Authors: | Maignan, S, Guilloteau, J.-P, Dupuy, A, Levell, J, Astles, P, Eastwood, P, Cairns, J, Houille, O, Aldous, S, Merriman, G, Whiteley, B, Pribish, J, Czekaj, M, Liang, G, Davidson, J, Harrison, T, Morley, A, Watson, S, Fenton, G, Mccarthy, C, Romano, J, Mathew, R, Engers, D, Gardyan, M, Sides, K, Kwong, J, Tsay, J, Rebello, S, Shen, L, Wang, J, Luo, Y, Giardino, O, Lim, H.-K, Smith, K, Pauls, H. | Deposit date: | 2005-03-09 | Release date: | 2005-03-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure Based Design of 4-(3-Aminomethylphenyl) Piperidinyl-1-Amides: Novel, Potent, Selective, and Orally Bioavailable Inhibitors of Bii Tryptase Bioorg.Med.Chem., 13, 2005
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1MR9
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![BU of 1mr9 by Molmil](/molmil-images/mine/1mr9) | Crystal structure of Streptogramin A Acetyltransferase with acetyl-CoA bound | Descriptor: | ACETYL COENZYME *A, Streptogramin A Acetyltransferase | Authors: | Kehoe, L.E, Snidwongse, J, Courvalin, P, Rafferty, J.B, Murray, I.A. | Deposit date: | 2002-09-18 | Release date: | 2003-08-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural Basis of Synercid (Quinupristin-Dalfopristin) Resistance in Gram-positive Bacterial Pathogens J.Biol.Chem., 278, 2003
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1MR7
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![BU of 1mr7 by Molmil](/molmil-images/mine/1mr7) | Crystal Structure of Streptogramin A Acetyltransferase | Descriptor: | Streptogramin A Acetyltransferase | Authors: | Kehoe, L.E, Snidwongse, J, Courvalin, P, Rafferty, J.B, Murray, I.A. | Deposit date: | 2002-09-18 | Release date: | 2003-08-26 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Basis of Synercid (Quinupristin-Dalfopristin) Resistance in Gram-positive Bacterial Pathogens J.Biol.Chem., 278, 2003
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4L7D
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![BU of 4l7d by Molmil](/molmil-images/mine/4l7d) | Structure of keap1 kelch domain with (1S,2R)-2-{[(1S)-5-methyl-1-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid | Descriptor: | (1S,2R)-2-{[(1S)-5-methyl-1-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid, ACETATE ION, Kelch-like ECH-associated protein 1 | Authors: | Jnoff, E, Brookfield, F, Albrecht, C, Barker, J.J, Barker, O, Beaumont, E, Bromidge, S, Brooks, M, Ceska, T, Courade, J.P, Crabbe, T, Duclos, S, Fryatt, T, Jigorel, E, Kwong, J, Sands, Z, Smith, M.A. | Deposit date: | 2013-06-13 | Release date: | 2014-02-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Binding Mode and Structure-Activity Relationships around Direct Inhibitors of the Nrf2-Keap1 Complex. Chemmedchem, 9, 2014
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4ACJ
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![BU of 4acj by Molmil](/molmil-images/mine/4acj) | Crystal structure of the TLDC domain of Oxidation resistance protein 2 from zebrafish | Descriptor: | WU:FB25H12 PROTEIN, | Authors: | Blaise, M, B Alsarraf, H.M.A, Wong, J.E.M.M, Midtgaard, S.R, Laroche, F, Schack, L, Spaink, H, Stougaard, J, Thirup, S. | Deposit date: | 2011-12-15 | Release date: | 2012-02-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Crystal Structure of the Tldc Domain of Oxidation Resistance Protein 2 from Zebrafish. Proteins, 80, 2012
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4L7C
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![BU of 4l7c by Molmil](/molmil-images/mine/4l7c) | Structure of keap1 kelch domain with 2-{[(1S)-2-{[(1R,2S)-2-(1H-tetrazol-5-yl)cyclohexyl]carbonyl}-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione | Descriptor: | 2-{[(1S)-2-{[(1R,2S)-2-(1H-tetrazol-5-yl)cyclohexyl]carbonyl}-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione, ACETATE ION, Kelch-like ECH-associated protein 1 | Authors: | Jnoff, E, Brookfield, F, Albrecht, C, Barker, J.J, Barker, O, Beaumont, E, Bromidge, S, Brooks, M, Ceska, T, Courade, J.P, Crabbe, T, Duclos, S, Fryatt, T, Jigorel, E, Kwong, J, Sands, Z, Smith, M.A. | Deposit date: | 2013-06-13 | Release date: | 2014-02-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Binding Mode and Structure-Activity Relationships around Direct Inhibitors of the Nrf2-Keap1 Complex. Chemmedchem, 9, 2014
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4L7B
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![BU of 4l7b by Molmil](/molmil-images/mine/4l7b) | Structure of keap1 kelch domain with (1S,2R)-2-{[(1S)-1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid | Descriptor: | (1S,2R)-2-{[(1S)-1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid, ACETATE ION, Kelch-like ECH-associated protein 1, ... | Authors: | Jnoff, E, Brookfield, F, Albrecht, C, Barker, J.J, Barker, O, Beaumont, E, Bromidge, S, Brooks, M, Ceska, T, Courade, J.P, Crabbe, T, Duclos, S, Fryatt, T, Jigorel, E, Kwong, J, Sands, Z, Smith, M.A. | Deposit date: | 2013-06-13 | Release date: | 2014-02-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Binding Mode and Structure-Activity Relationships around Direct Inhibitors of the Nrf2-Keap1 Complex. Chemmedchem, 9, 2014
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1MRL
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![BU of 1mrl by Molmil](/molmil-images/mine/1mrl) | Crystal structure of streptogramin A acetyltransferase with dalfopristin | Descriptor: | 5-(2-DIETHYLAMINO-ETHANESULFONYL)-21-HYDROXY-10-ISOPROPYL-11,19-DIMETHYL-9,26-DIOXA-3,15,28-TRIAZA-TRICYCLO[23.2.1.00,255]OCTACOSA-1(27),12,17,19,25(28)-PENTAENE-2,8,14,23-TETRAONE, Streptogramin A acetyltransferase | Authors: | Kehoe, L.E, Snidwongse, J, Courvalin, P, Rafferty, J.B, Murray, I.A. | Deposit date: | 2002-09-18 | Release date: | 2003-08-26 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Basis of Synercid (Quinupristin-Dalfopristin) Resistance in Gram-positive Bacterial Pathogens J.Biol.Chem., 278, 2003
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5YPU
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![BU of 5ypu by Molmil](/molmil-images/mine/5ypu) | Crystal structure of an actin monomer in complex with the nucleator Cordon-Bleu MET72NLE WH2-motif peptide | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Scipion, C.P.M, Wongsantichon, J, Ferrer, F.J, Yuen, T.Y, Robinson, R.C. | Deposit date: | 2017-11-03 | Release date: | 2018-09-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural evidence for the roles of divalent cations in actin polymerization and activation of ATP hydrolysis Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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4JN4
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![BU of 4jn4 by Molmil](/molmil-images/mine/4jn4) | Allosteric opening of the polypeptide-binding site when an Hsp70 binds ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Chaperone protein DnaK, GLYCEROL, ... | Authors: | Qi, R, Sarbeng, E.B, Liu, Q, Le, K.Q, Xu, X, Xu, H, Yang, J, Wong, J.L, Vorvis, C, Hendrickson, W.A, Zhou, L, Liu, Q. | Deposit date: | 2013-03-14 | Release date: | 2013-05-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Allosteric opening of the polypeptide-binding site when an Hsp70 binds ATP. Nat.Struct.Mol.Biol., 20, 2013
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4JNE
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![BU of 4jne by Molmil](/molmil-images/mine/4jne) | Allosteric opening of the polypeptide-binding site when an Hsp70 binds ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, Hsp70 CHAPERONE DnaK, ... | Authors: | Qi, R, Sarbeng, E.B, Liu, Q, Le, K.Q, Xu, X, Xu, H, Yang, J, Wong, J.L, Vorvis, C, Hendrickson, W.A, Zhou, L, Liu, Q. | Deposit date: | 2013-03-15 | Release date: | 2013-05-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Allosteric opening of the polypeptide-binding site when an Hsp70 binds ATP. Nat.Struct.Mol.Biol., 20, 2013
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4E3R
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![BU of 4e3r by Molmil](/molmil-images/mine/4e3r) | PLP-bound aminotransferase mutant crystal structure from Vibrio fluvialis | Descriptor: | Pyruvate transaminase, SODIUM ION, SULFATE ION | Authors: | Midelfort, K.S, Kumar, R, Han, S, Karmilowicz, M.J, McConnell, K, Gehlhaar, D.K, Mistry, A, Chang, J.S, Anderson, M, Vilalobos, A, Minshull, J, Govindarajan, S, Wong, J.W. | Deposit date: | 2012-03-10 | Release date: | 2012-10-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Redesigning and characterizing the substrate specificity and activity of Vibrio fluvialis aminotransferase for the synthesis of imagabalin. Protein Eng.Des.Sel., 26, 2013
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6LAG
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![BU of 6lag by Molmil](/molmil-images/mine/6lag) | Solution structure of SPA-2 SHD | Descriptor: | Spa2-like protein | Authors: | Fan, J.S, Wong, J.Y, Zheng, P, Yang, D, Jedd, G. | Deposit date: | 2019-11-12 | Release date: | 2020-04-29 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Spitzenkorper assembly mechanisms reveal conserved features of fungal and metazoan polarity scaffolds. Nat Commun, 11, 2020
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4E3Q
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![BU of 4e3q by Molmil](/molmil-images/mine/4e3q) | PMP-bound form of Aminotransferase crystal structure from Vibrio fluvialis | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, BENZAMIDINE, Pyruvate transaminase, ... | Authors: | Midelfort, K.S, Kumar, R, Han, S, Karmilowicz, M.J, McConnell, K, Gehlhaar, D.K, Mistry, A, Chang, J.S, Anderson, M, Vilalobos, A, Minshull, J, Govindarajan, S, Wong, J.W. | Deposit date: | 2012-03-10 | Release date: | 2012-10-10 | Last modified: | 2013-01-02 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Redesigning and characterizing the substrate specificity and activity of Vibrio fluvialis aminotransferase for the synthesis of imagabalin. Protein Eng.Des.Sel., 26, 2013
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5YVN
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![BU of 5yvn by Molmil](/molmil-images/mine/5yvn) | Human Glutathione Transferase Omega1 | Descriptor: | ACETATE ION, GLUTATHIONE, Glutathione S-transferase omega-1, ... | Authors: | Saisawang, C, Ketterman, A, Wongsantichon, J. | Deposit date: | 2017-11-27 | Release date: | 2018-11-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Glutathione transferase Omega 1-1 (GSTO1-1) modulates Akt and MEK1/2 signaling in human neuroblastoma cell SH-SY5Y. Proteins, 87, 2019
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4JNF
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![BU of 4jnf by Molmil](/molmil-images/mine/4jnf) | Allosteric opening of the polypeptide-binding site when an Hsp70 binds ATP | Descriptor: | Hsp70 CHAPERONE DnaK | Authors: | Qi, R, Sarbeng, E.B, Liu, Q, Le, K.Q, Xu, X, Xu, H, Yang, J, Wong, J.L, Vorvis, C, Hendrickson, W.A, Zhou, L, Liu, Q. | Deposit date: | 2013-03-15 | Release date: | 2013-05-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.621 Å) | Cite: | Allosteric opening of the polypeptide-binding site when an Hsp70 binds ATP. Nat.Struct.Mol.Biol., 20, 2013
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4N1B
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![BU of 4n1b by Molmil](/molmil-images/mine/4n1b) | STRUCTURE OF KEAP1 KELCH DOMAIN WITH(1S,2R)-2-[(1S)-1-[(1-oxo-2,3-dihydro-1H-isoindol-2-Yl)methyl]-1,2,3,4-tetrahydroisoquinoline-2-Carbonyl]cyclohexane-1-carboxylic acid | Descriptor: | (1S,2R)-2-{[(1S)-1-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid, ACETATE ION, Kelch-like ECH-associated protein 1 | Authors: | Smith, M.A, Duclos, S, Beaumont, E, Kwong, J, Brooks, M, Barker, J, Jnoff, E, Brookfield, F, Courade, J.P, Barker, O, Fryatt, T, Albrecht, C, Bromidge, S. | Deposit date: | 2013-10-03 | Release date: | 2014-02-19 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Binding Mode and Structure-Activity Relationships around Direct Inhibitors of the Nrf2-Keap1 Complex. Chemmedchem, 9, 2014
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5YVO
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![BU of 5yvo by Molmil](/molmil-images/mine/5yvo) | Human Glutathione Transferase Omega1 covalently bound to ML175 inhibitor | Descriptor: | ACETATE ION, Glutathione S-transferase omega-1, N-{3-[(2-chloro-acetyl)-(4-nitro-phenyl)-amino]-propyl}-2,2,2-trifluoro-acetamide, ... | Authors: | Saisawang, C, Ketterman, A, Wongsantichon, J. | Deposit date: | 2017-11-27 | Release date: | 2018-11-28 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Glutathione transferase Omega 1-1 (GSTO1-1) modulates Akt and MEK1/2 signaling in human neuroblastoma cell SH-SY5Y. Proteins, 87, 2019
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4PW7
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![BU of 4pw7 by Molmil](/molmil-images/mine/4pw7) | structure of UHRF2-SRA in complex with a 5mC-containing DNA | Descriptor: | 5mC-containing DNA1, 5mC-containing DNA2, E3 ubiquitin-protein ligase UHRF2 | Authors: | ZHou, T, Xiong, J, Wang, M, Yang, N, Wong, J, Zhu, B, Xu, R.M. | Deposit date: | 2014-03-19 | Release date: | 2014-05-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Structural Basis for Hydroxymethylcytosine Recognition by the SRA Domain of UHRF2. Mol.Cell, 54, 2014
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4PW5
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![BU of 4pw5 by Molmil](/molmil-images/mine/4pw5) | structure of UHRF2-SRA in complex with a 5hmC-containing DNA, complex I | Descriptor: | 5hmC-containing DNA1, 5hmC-containing DNA2, E3 ubiquitin-protein ligase UHRF2 | Authors: | ZHou, T, Xiong, J, Wang, M, Yang, N, Wong, J, Zhu, B, Xu, R.M. | Deposit date: | 2014-03-18 | Release date: | 2014-05-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.204 Å) | Cite: | Structural Basis for Hydroxymethylcytosine Recognition by the SRA Domain of UHRF2. Mol.Cell, 54, 2014
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4PW6
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![BU of 4pw6 by Molmil](/molmil-images/mine/4pw6) | structure of UHRF2-SRA in complex with a 5hmC-containing DNA, complex II | Descriptor: | 5hmC-containing DNA1, 5hmC-containing DNA2, E3 ubiquitin-protein ligase UHRF2 | Authors: | Zhou, T, Xiong, J, Wang, M, Yang, N, Wong, J, Zhu, B, Xu, R.M. | Deposit date: | 2014-03-18 | Release date: | 2014-05-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.789 Å) | Cite: | Structural Basis for Hydroxymethylcytosine Recognition by the SRA Domain of UHRF2. Mol.Cell, 54, 2014
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4P8V
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![BU of 4p8v by Molmil](/molmil-images/mine/4p8v) | The crystal structures of YKL-39 in the presence of chitooligosaccharides (GlcNAc2) were solved to resolutions of 1.5 angstrom | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase-3-like protein 2, SULFATE ION | Authors: | Suginta, W, Ranok, A, Robinson, R.C, Wongsantichon, J. | Deposit date: | 2014-04-01 | Release date: | 2014-12-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Structural and Thermodynamic Insights into Chitooligosaccharide Binding to Human Cartilage Chitinase 3-like Protein 2 (CHI3L2 or YKL-39). J.Biol.Chem., 290, 2015
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4P8W
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![BU of 4p8w by Molmil](/molmil-images/mine/4p8w) | The crystal structures of YKL-39 in the presence of chitooligosaccharides (GlcNAc4) were solved to resolutions of 1.9 angstrom | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, Chitinase-3-like protein 2, SULFATE ION | Authors: | Suginta, W, Ranok, A, Robinson, R.C, Wongsantichon, J. | Deposit date: | 2014-04-01 | Release date: | 2014-12-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structural and Thermodynamic Insights into Chitooligosaccharide Binding to Human Cartilage Chitinase 3-like Protein 2 (CHI3L2 or YKL-39). J.Biol.Chem., 290, 2015
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4P8X
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![BU of 4p8x by Molmil](/molmil-images/mine/4p8x) | The crystal structures of YKL-39 in the presence of chitooligosaccharides (GlcNAc6) were solved to resolutions of 2.48 angstrom | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase-3-like protein 2, SULFATE ION | Authors: | Suginta, W, Ranok, A, Robinson, R.C, Wongsantichon, J. | Deposit date: | 2014-04-01 | Release date: | 2014-12-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Structural and Thermodynamic Insights into Chitooligosaccharide Binding to Human Cartilage Chitinase 3-like Protein 2 (CHI3L2 or YKL-39). J.Biol.Chem., 290, 2015
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