2YM2
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![BU of 2ym2 by Molmil](/molmil-images/mine/2ym2) | SNAPSHOTS OF ENZYMATIC BAEYER-VILLIGER CATALYSIS: OXYGEN ACTIVATION AND INTERMEDIATE STABILIZATION: Arg337Lys MUTANT REDUCED STATE WITH NADP | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PHENYLACETONE MONOOXYGENASE | Authors: | Orru, R, Dudek, H.M, Martinoli, C, Torres Pazmino, D.E, Royant, A, Weik, M, Fraaije, M.W, Mattevi, A. | Deposit date: | 2011-06-06 | Release date: | 2011-06-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Snapshots of Enzymatic Baeyer-Villiger Catalysis: Oxygen Activation and Intermediate Stabilization. J.Biol.Chem., 286, 2011
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4ICD
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![BU of 4icd by Molmil](/molmil-images/mine/4icd) | REGULATION OF ISOCITRATE DEHYDROGENASE BY PHOSPHORYLATION INVOLVES NO LONG-RANGE CONFORMATIONAL CHANGE IN THE FREE ENZYME | Descriptor: | PHOSPHORYLATED ISOCITRATE DEHYDROGENASE | Authors: | Hurley, J.H, Dean, A.M, Thorsness, P.E, Koshlandjunior, D.E, Stroud, R.M. | Deposit date: | 1989-12-28 | Release date: | 1991-01-15 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Regulation of isocitrate dehydrogenase by phosphorylation involves no long-range conformational change in the free enzyme. J.Biol.Chem., 265, 1990
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2XGM
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![BU of 2xgm by Molmil](/molmil-images/mine/2xgm) | Substrate and product analogues as human O-GlcNAc transferase inhibitors. | Descriptor: | ALLOXAN, XCOGT | Authors: | Dorfmueller, H.C, Borodkin, V.S, Blair, D.E, Pathak, S, Navratilova, I, van Aalten, D.M. | Deposit date: | 2010-06-07 | Release date: | 2010-08-25 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Substrate and Product Analogues as Human O-Glcnac Transferase Inhibitors. Amino Acids, 40, 2011
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4FXH
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4G3K
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![BU of 4g3k by Molmil](/molmil-images/mine/4g3k) | Crystal structure of a. aeolicus nlh1 gaf domain in an inactive state | Descriptor: | Transcriptional regulator nlh1 | Authors: | Wemmer, D.E, Batchelor, J.D, Wang, A, Lee, P, Doucleff, M. | Deposit date: | 2012-07-14 | Release date: | 2013-05-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Structural mechanism of GAF-regulated delta(54) activators from Aquifex aeolicus J.Mol.Biol., 425, 2013
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4FXE
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4G3W
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![BU of 4g3w by Molmil](/molmil-images/mine/4g3w) | Crystal structure of a. aeolicus nlh1 gaf domain in an inactive state | Descriptor: | Transcriptional regulator nlh1 | Authors: | Batchelor, J.D, Wang, A, Lee, P, Doucleff, M, Wemmer, D.E. | Deposit date: | 2012-07-15 | Release date: | 2013-05-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural mechanism of GAF-regulated delta(54) activators from Aquifex aeolicus J.Mol.Biol., 425, 2013
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4FS3
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![BU of 4fs3 by Molmil](/molmil-images/mine/4fs3) | Crystal structure of Staphylococcus aureus enoyl-ACP reductase in complex with NADP and AFN-1252 | Descriptor: | Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI, N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)propanamide, [[(2R,3S,4R,5R)-5-(3-aminocarbonyl-4H-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate | Authors: | Kaplan, N, Yethon, J, Bardouniotis, E, Thalakada, R, Albert, M, Awrey, D.E, Romanov, V, Dorsey, M, Ramnauth, J, Clarke, T.E, Schmid, M.B, Berman, J, Pauls, H.W. | Deposit date: | 2012-06-26 | Release date: | 2012-09-19 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Mode of Action, In Vitro Activity, and In Vivo Efficacy of AFN-1252, a Selective Antistaphylococcal FabI Inhibitor. Antimicrob.Agents Chemother., 56, 2012
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4JS8
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![BU of 4js8 by Molmil](/molmil-images/mine/4js8) | Crystal structure of TTK kinase domain with an inhibitor: 401348 | Descriptor: | 4-(cyclohexylmethoxy)-3-{4-[(1-methylpiperidin-4-yl)oxy]phenyl}-2H-indazole, DI(HYDROXYETHYL)ETHER, Dual specificity protein kinase TTK, ... | Authors: | Qiu, W, Plotnikov, A.N, Plotnikova, O, Feher, M, Awrey, D.E, Chirgadze, N.Y. | Deposit date: | 2013-03-22 | Release date: | 2014-03-26 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Crystal structure of TTK kinase domain with an inhibitor: 401348 To be Published
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4FTH
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![BU of 4fth by Molmil](/molmil-images/mine/4fth) | Crystal Structure of NtrC4 DNA-binding domain bound to double-stranded DNA | Descriptor: | 5'-D(*AP*CP*TP*TP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*AP*AP*AP*TP*GP*CP*AP*T)-3', 5'-D(P*GP*AP*TP*GP*CP*AP*TP*TP*TP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*AP*A)-3', Transcriptional regulator (NtrC family) | Authors: | Vidangos, N.K, Heideker, J, Lyubimov, A.Y, Lamers, M, Huo, Y, Pelton, J.G, Ton, J, Gralla, J.D, Kuriyan, J, Berger, J.M, Wemmer, D.E. | Deposit date: | 2012-06-27 | Release date: | 2012-08-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.004 Å) | Cite: | DNA Recognition by a sigma (54) Transcriptional Activator from Aquifex aeolicus. J.Mol.Biol., 426, 2014
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4KNC
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![BU of 4knc by Molmil](/molmil-images/mine/4knc) | Structural and functional characterization of Pseudomonas aeruginosa AlgX | Descriptor: | Alginate biosynthesis protein AlgX | Authors: | Riley, L.M, Weadge, J.T, Baker, P, Robinson, H, Codee, J.D.C, Tipton, P.A, Ohman, D.E, Howell, P.L. | Deposit date: | 2013-05-09 | Release date: | 2013-06-26 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.141 Å) | Cite: | Structural and Functional Characterization of Pseudomonas aeruginosa AlgX: ROLE OF AlgX IN ALGINATE ACETYLATION. J.Biol.Chem., 288, 2013
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2XUC
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![BU of 2xuc by Molmil](/molmil-images/mine/2xuc) | Natural product-guided discovery of a fungal chitinase inhibitor | Descriptor: | 1-methyl-3-(N-methylcarbamimidoyl)urea, CHITINASE, CHLORIDE ION, ... | Authors: | Rush, C.L, Schuttelkopf, A.W, Hurtado-Guerrero, R, Blair, D.E, Ibrahim, A.F.M, Desvergnes, S, Eggleston, I.M, van Aalten, D.M.F. | Deposit date: | 2010-10-18 | Release date: | 2010-10-27 | Last modified: | 2019-01-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Natural Product-Guided Discovery of a Fungal Chitinase Inhibitor. Chem.Biol., 17, 2010
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2XGS
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![BU of 2xgs by Molmil](/molmil-images/mine/2xgs) | XcOGT in complex with C-UDP | Descriptor: | 5'-O-[(S)-HYDROXY(PHOSPHONOMETHYL)PHOSPHORYL]URIDINE, XCOGT | Authors: | Dorfmueller, H.C, Borodkin, V.S, Blair, D.E, Pathak, S, Navratilova, I, van Aalten, D.M. | Deposit date: | 2010-06-07 | Release date: | 2010-08-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Substrate and Product Analogues as Human O-Glcnac Transferase Inhibitors. Amino Acids, 40, 2011
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4G3V
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![BU of 4g3v by Molmil](/molmil-images/mine/4g3v) | Crystal structure of A. Aeolicus nlh2 gaf domain in an inactive state | Descriptor: | CHLORIDE ION, Transcriptional regulator nlh2 | Authors: | Batchelor, J.D, Lee, P, Wang, A, Doucleff, M, Wemmer, D.E. | Deposit date: | 2012-07-15 | Release date: | 2013-05-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural mechanism of GAF-regulated delta(54) activators from Aquifex aeolicus J.Mol.Biol., 425, 2013
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2XVN
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![BU of 2xvn by Molmil](/molmil-images/mine/2xvn) | A. fumigatus chitinase A1 phenyl-methylguanylurea complex | Descriptor: | 1-METHYL-3-(N-PHENYLCARBAMIMIDOYL)UREA, ASPERGILLUS FUMIGATUS CHITINASE A1, CHLORIDE ION | Authors: | Rush, C.L, Schuttelkopf, A.W, Hurtado-Guerrero, R, Blair, D.E, Ibrahim, A.F.M, Desvergnes, S, Eggleston, I.M, van Aalten, D.M.F. | Deposit date: | 2010-10-26 | Release date: | 2010-11-03 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Natural Product-Guided Discovery of a Fungal Chitinase Inhibitor. Chem.Biol., 17, 2010
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4DK7
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![BU of 4dk7 by Molmil](/molmil-images/mine/4dk7) | Crystal structure of LXR ligand binding domain in complex with full agonist 1 | Descriptor: | ACETATE ION, CALCIUM ION, N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylbenzenesulfonamide, ... | Authors: | Piper, D.E, Xu, H. | Deposit date: | 2012-02-03 | Release date: | 2012-03-21 | Last modified: | 2012-05-09 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Discovery of a new binding mode for a series of liver X receptor agonists. Bioorg.Med.Chem.Lett., 22, 2012
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4KVY
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![BU of 4kvy by Molmil](/molmil-images/mine/4kvy) | Crystal structure of Aspergillus terreus aristolochene synthase complexed with (1S,8S,9aR)-1,9a-dimethyl-8-(prop-1-en-2-yl)decahydroquinolizin-5-ium | Descriptor: | (1S,5S,8S,9aR)-1,9a-dimethyl-8-(prop-1-en-2-yl)octahydro-2H-quinolizinium, Aristolochene synthase, GLYCEROL, ... | Authors: | Chen, M, Al-lami, N, Janvier, M, D'Antonio, E.L, Faraldos, J.A, Cane, D.E, Allemann, R.K, Christianson, D.W. | Deposit date: | 2013-05-23 | Release date: | 2013-08-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Mechanistic insights from the binding of substrate and carbocation intermediate analogues to aristolochene synthase. Biochemistry, 52, 2013
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4KU8
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![BU of 4ku8 by Molmil](/molmil-images/mine/4ku8) | Structures of PKGI Reveal a cGMP-Selective Activation Mechanism | Descriptor: | GLYCINE, cGMP-dependent Protein Kinase 1 | Authors: | Huang, G.Y, Kim, J.J, Reger, A.S, Lorenz, R, Moon, E.W, Casteel, D.E, Sankaran, B, Herberg, F.W, Kim, C. | Deposit date: | 2013-05-21 | Release date: | 2014-01-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.994 Å) | Cite: | Structural Basis for Cyclic-Nucleotide Selectivity and cGMP-Selective Activation of PKG I. Structure, 22, 2014
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4KUX
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![BU of 4kux by Molmil](/molmil-images/mine/4kux) | Crystal structure of Aspergillus terreus aristolochene synthase complexed with farnesyl thiolodiphosphate (FSPP) | Descriptor: | Aristolochene synthase, GLYCEROL, MAGNESIUM ION, ... | Authors: | Chen, M, Faraldos, J.A, Al-lami, N, Janvier, M, D'Antonio, E.L, Cane, D.E, Allemann, R.K, Christianson, D.W. | Deposit date: | 2013-05-22 | Release date: | 2013-08-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Mechanistic insights from the binding of substrate and carbocation intermediate analogues to aristolochene synthase. Biochemistry, 52, 2013
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4F1N
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![BU of 4f1n by Molmil](/molmil-images/mine/4f1n) | Crystal structure of Kluyveromyces polysporus Argonaute with a guide RNA | Descriptor: | KpAGO, RNA 5'-R(P*UP*AP*AP*AP*AP*AP*AP*AP*A)-3' | Authors: | Nakanishi, K, Weinberg, D.E, Bartel, D.P, Patel, D.J. | Deposit date: | 2012-05-07 | Release date: | 2012-06-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.187 Å) | Cite: | Structure of yeast Argonaute with guide RNA. Nature, 486, 2012
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4JXF
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![BU of 4jxf by Molmil](/molmil-images/mine/4jxf) | Crystal Structure of PLK4 Kinase with an inhibitor: 400631 ((1R,2S)-2-{3-[(E)-2-{4-[(DIMETHYLAMINO)METHYL]PHENYL}ETHENYL]-2H-INDAZOL-6-YL}-5'-METHOXYSPIRO[CYCLOPROPANE-1,3'-INDOL]-2'(1'H)-ONE) | Descriptor: | (1R,2S)-2-{3-[(E)-2-{4-[(dimethylamino)methyl]phenyl}ethenyl]-2H-indazol-6-yl}-5'-methoxyspiro[cyclopropane-1,3'-indol]-2'(1'H)-one, 1,2-ETHANEDIOL, Serine/threonine-protein kinase PLK4 | Authors: | Qiu, W, Plotnikova, O, Feher, M, Awrey, D.E, Chirgadze, N.Y. | Deposit date: | 2013-03-28 | Release date: | 2014-04-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of PLK4 Kinase with an inhibitor: 400631 To be Published
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2XFU
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![BU of 2xfu by Molmil](/molmil-images/mine/2xfu) | Human monoamine oxidase B with tranylcypromine | Descriptor: | 3-PHENYLPROPANAL, Amine oxidase [flavin-containing] B, [[(2R,3S,4S)-5-[(4AS)-7,8-DIMETHYL-2,4-DIOXO-4A,5-DIHYDROBENZO[G]PTERIDIN-10-YL]-2,3,4-TRIHYDROXY-PENTOXY]-HYDROXY-PHOSPHORYL] [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL HYDROGEN PHOSPHATE | Authors: | Binda, C, Li, M, Hubalek, F, Restelli, N, Edmondson, D.E, Mattevi, A. | Deposit date: | 2010-05-26 | Release date: | 2010-06-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Potentiation of ligand binding through cooperative effects in monoamine oxidase B. J. Biol. Chem., 285, 2010
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2XFO
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![BU of 2xfo by Molmil](/molmil-images/mine/2xfo) | tranylcypromine-inhibited human monoamine oxidase B Ile199Ala mutant in complex with 2-(2-benzofuranyl)-2-imidazoline | Descriptor: | 2-(2-BENZOFURANYL)-2-IMIDAZOLINE, 3-PHENYLPROPANAL, Amine oxidase [flavin-containing] B, ... | Authors: | Bonivento, D, Milczek, E.M, McDonald, G.R, Binda, C, Holt, A, Edmondson, D.E, Mattevi, A. | Deposit date: | 2010-05-26 | Release date: | 2010-10-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Potentiation of ligand binding through cooperative effects in monoamine oxidase B. J. Biol. Chem., 285, 2010
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4FID
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![BU of 4fid by Molmil](/molmil-images/mine/4fid) | Crystal structure of a heterotrimeric G-Protein subunit from entamoeba histolytica, EHG-ALPHA-1 | Descriptor: | G protein alpha subunit, GUANOSINE-5'-DIPHOSPHATE | Authors: | Bosch, D.E, Kimple, A.J, Muller, R.E, Gigure, P.M, Willard, F.S, Machius, M, Temple, B.R, Siderovski, D.P. | Deposit date: | 2012-06-08 | Release date: | 2012-11-28 | Last modified: | 2013-06-26 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Heterotrimeric G-protein Signaling Is Critical to Pathogenic Processes in Entamoeba histolytica. Plos Pathog., 8, 2012
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2XFP
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![BU of 2xfp by Molmil](/molmil-images/mine/2xfp) | Isatin-inhibited human monoamine oxidase B in complex with 2-(2- benzofuranyl)-2-imidazoline | Descriptor: | 2-(2-BENZOFURANYL)-2-IMIDAZOLINE, Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Bonivento, D, Milczek, E.M, McDonald, G.R, Binda, C, Holt, A, Edmondson, D.E, Mattevi, A. | Deposit date: | 2010-05-26 | Release date: | 2010-10-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Potentiation of ligand binding through cooperative effects in monoamine oxidase B. J. Biol. Chem., 285, 2010
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