7YDD
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![BU of 7ydd by Molmil](/molmil-images/mine/7ydd) | Crystal structure of the P450 BM3 heme domain mutant F87A/T268P/V78I in complex with N-imidazolyl-pentanoyl-L-phenylalanine,propylbenzene and hydroxylamine | Descriptor: | (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid, HYDROXYAMINE, P450 BM3 heme domain mutant F87A/T268P/V78I, ... | Authors: | Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y. | Deposit date: | 2022-07-04 | Release date: | 2023-05-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.663 Å) | Cite: | Regiodivergent and Enantioselective Hydroxylation of C-H bonds by Synergistic Use of Protein Engineering and Exogenous Dual-Functional Small Molecules. Angew.Chem.Int.Ed.Engl., 62, 2023
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7YDC
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![BU of 7ydc by Molmil](/molmil-images/mine/7ydc) | Crystal structure of the P450 BM3 heme domain mutant F87L/T268V/V78C in complex with N-imidazolyl-pentanoyl-L-phenylalanine and hydroxylamine | Descriptor: | (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... | Authors: | Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y. | Deposit date: | 2022-07-04 | Release date: | 2023-05-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.609 Å) | Cite: | Regiodivergent and Enantioselective Hydroxylation of C-H bonds by Synergistic Use of Protein Engineering and Exogenous Dual-Functional Small Molecules. Angew.Chem.Int.Ed.Engl., 62, 2023
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7YDE
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![BU of 7yde by Molmil](/molmil-images/mine/7yde) | Crystal structure of the P450 BM3 heme domain mutant F87T/T268V/I263V in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine | Descriptor: | (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... | Authors: | Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y. | Deposit date: | 2022-07-04 | Release date: | 2023-05-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.789 Å) | Cite: | Regiodivergent and Enantioselective Hydroxylation of C-H bonds by Synergistic Use of Protein Engineering and Exogenous Dual-Functional Small Molecules. Angew.Chem.Int.Ed.Engl., 62, 2023
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7YFT
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![BU of 7yft by Molmil](/molmil-images/mine/7yft) | Crystal structure of the P450 BM3 heme domain mutant F87A/T268V/A82C/L181M in complex with N-imidazolyl-pentanoyl-L-phenylalanine, indane and hydroxylamine | Descriptor: | (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid, 2,3-dihydro-1H-indene, Bifunctional cytochrome P450/NADPH--P450 reductase, ... | Authors: | Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y. | Deposit date: | 2022-07-09 | Release date: | 2023-05-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Regiodivergent and Enantioselective Hydroxylation of C-H bonds by Synergistic Use of Protein Engineering and Exogenous Dual-Functional Small Molecules. Angew.Chem.Int.Ed.Engl., 62, 2023
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7YJE
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![BU of 7yje by Molmil](/molmil-images/mine/7yje) | Crystal structure of the P450 BM3 heme domain mutant F87G/T268V/A184V/A328V in complex with N-imidazolyl-hexanoyl-L-phenylalanine and acetate ion | Descriptor: | (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, ACETATE ION, Bifunctional cytochrome P450/NADPH--P450 reductase, ... | Authors: | Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y. | Deposit date: | 2022-07-20 | Release date: | 2023-05-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Regiodivergent and Enantioselective Hydroxylation of C-H bonds by Synergistic Use of Protein Engineering and Exogenous Dual-Functional Small Molecules. Angew.Chem.Int.Ed.Engl., 62, 2023
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7YJG
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![BU of 7yjg by Molmil](/molmil-images/mine/7yjg) | Crystal structure of the P450 BM3 heme domain mutant F87A/T268V/A82C/L181M in complex with N-imidazolyl-pentanoyl-L-phenylalanine and hydroxylamine | Descriptor: | (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... | Authors: | Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y. | Deposit date: | 2022-07-20 | Release date: | 2023-05-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.684 Å) | Cite: | Regiodivergent and Enantioselective Hydroxylation of C-H bonds by Synergistic Use of Protein Engineering and Exogenous Dual-Functional Small Molecules. Angew.Chem.Int.Ed.Engl., 62, 2023
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7YJH
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![BU of 7yjh by Molmil](/molmil-images/mine/7yjh) | Crystal structure of the P450 BM3 heme domain mutant F87V/T268I in complex with N-imidazolyl-pentanoyl-L-phenylalanine and hydroxylamine | Descriptor: | (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... | Authors: | Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y. | Deposit date: | 2022-07-20 | Release date: | 2023-05-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.792 Å) | Cite: | Regiodivergent and Enantioselective Hydroxylation of C-H bonds by Synergistic Use of Protein Engineering and Exogenous Dual-Functional Small Molecules. Angew.Chem.Int.Ed.Engl., 62, 2023
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4J2A
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![BU of 4j2a by Molmil](/molmil-images/mine/4j2a) | RB69 DNA Polymerase L415A Ternary Complex | Descriptor: | CALCIUM ION, DNA (5'-D(*GP*CP*GP*GP*AP*CP*TP*GP*CP*TP*TP*AP*C)-3'), DNA (5'-D(*TP*CP*GP*AP*GP*TP*AP*AP*GP*CP*AP*GP*TP*CP*CP*GP*CP*G)-3'), ... | Authors: | Xia, S, Wang, J, Konigsberg, W.H. | Deposit date: | 2013-02-04 | Release date: | 2014-02-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Alteration in the cavity size adjacent to the active site of RB69 DNA polymerase changes its conformational dynamics. Nucleic Acids Res., 41, 2013
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2CYG
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![BU of 2cyg by Molmil](/molmil-images/mine/2cyg) | Crystal structure at 1.45- resolution of the major allergen endo-beta-1,3-glucanase of banana as a molecular basis for the latex-fruit syndrome | Descriptor: | beta-1, 3-glucananse | Authors: | Receveur-Brechot, V, Czjzek, M, Barre, A, Roussel, A, Peumans, W.J, Van Damme, E.J.M, Rouge, P. | Deposit date: | 2005-07-07 | Release date: | 2005-11-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Crystal structure at 1.45-A resolution of the major allergen endo-beta-1,3-glucanase of banana as a molecular basis for the latex-fruit syndrome Proteins, 63, 2006
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1MG2
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![BU of 1mg2 by Molmil](/molmil-images/mine/1mg2) | MUTATION OF ALPHA PHE55 OF METHYLAMINE DEHYDROGENASE ALTERS THE REORGANIZATION ENERGY AND ELECTRONIC COUPLING FOR ITS ELECTRON TRANSFER REACTION WITH AMICYANIN | Descriptor: | Amicyanin, COPPER (II) ION, CYTOCHROME C-L, ... | Authors: | Sun, D, Chen, Z.W, Mathews, F.S, Davidson, V.L. | Deposit date: | 2002-08-14 | Release date: | 2002-12-11 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | MUTATION OF AlPHA PHE55 OF METHYLAMINE DEHYDROGENASE ALTERS THE REORGANIZATION ENERGY AND ELECTRONIC COUPLING FOR ITS ELECTRON TRANSFER REACTION WITH AMICYANIN Biochemistry, 41, 2002
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4J2B
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![BU of 4j2b by Molmil](/molmil-images/mine/4j2b) | RB69 DNA Polymerase L415G Ternary Complex | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*GP*CP*GP*GP*AP*CP*TP*GP*CP*TP*TP*AP*T)-3'), ... | Authors: | Xia, S, Wang, J, Konigsberg, W.H. | Deposit date: | 2013-02-04 | Release date: | 2014-02-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Alteration in the cavity size adjacent to the active site of RB69 DNA polymerase changes its conformational dynamics. Nucleic Acids Res., 41, 2013
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1QNX
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![BU of 1qnx by Molmil](/molmil-images/mine/1qnx) | Ves v 5, an allergen from Vespula vulgaris venom | Descriptor: | SODIUM ION, VES V 5 | Authors: | Henriksen, A, Gajhede, M, Spangfort, M.D. | Deposit date: | 1999-10-25 | Release date: | 2000-10-26 | Last modified: | 2018-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Major Venom Allergen of Yellow Jackets, Ves V 5: Structural Characterization of a Pathogenesis-Related Protein Superfamily. Proteins: Struct.,Funct., Genet., 45, 2001
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2R82
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![BU of 2r82 by Molmil](/molmil-images/mine/2r82) | Pyruvate phosphate dikinase (PPDK) triple mutant R219E/E271R/S262D adapts a second conformational state | Descriptor: | Pyruvate, phosphate dikinase, SULFATE ION | Authors: | Lim, K, Read, R.J, Chen, C.C, Herzberg, O. | Deposit date: | 2007-09-10 | Release date: | 2008-01-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Swiveling domain mechanism in pyruvate phosphate dikinase. Biochemistry, 46, 2007
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1EGL
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![BU of 1egl by Molmil](/molmil-images/mine/1egl) | |
1SG6
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![BU of 1sg6 by Molmil](/molmil-images/mine/1sg6) | Crystal structure of Aspergillus nidulans 3-dehydroquinate synthase (AnDHQS) in complex with Zn2+ and NAD+, at 1.7D | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Pentafunctional AROM polypeptide, ZINC ION | Authors: | Nichols, C.E, Hawkins, A.R, Stammers, D.K. | Deposit date: | 2004-02-23 | Release date: | 2004-08-31 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of the 'open' form of Aspergillus nidulans 3-dehydroquinate synthase at 1.7 A resolution from crystals grown following enzyme turnover. Acta Crystallogr.,Sect.D, 60, 2004
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1SPH
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![BU of 1sph by Molmil](/molmil-images/mine/1sph) | |
7ZBO
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![BU of 7zbo by Molmil](/molmil-images/mine/7zbo) | Amine Dehydrogenase MATOUAmDH2 in complex with NADP+ | Descriptor: | Amine Dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Bennett, M, Ducrot, L, Vergne-Vaxelaire, C, Grogan, G. | Deposit date: | 2022-03-24 | Release date: | 2022-04-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Structure and Mutation of the Native Amine Dehydrogenase MATOUAmDH2. Chembiochem, 23, 2022
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1SQM
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![BU of 1sqm by Molmil](/molmil-images/mine/1sqm) | STRUCTURE OF [R563A] LEUKOTRIENE A4 HYDROLASE | Descriptor: | ACETIC ACID, IMIDAZOLE, LEUKOTRIENE A-4 HYDROLASE, ... | Authors: | Tholander, F.O.T, Rudberg, P.C, Thunnissen, M.M.G.M, Haeggstrom, J.Z. | Deposit date: | 2004-03-19 | Release date: | 2004-08-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Leukotriene A4 hydrolase: identification of a common carboxylate recognition site for the epoxide hydrolase and aminopeptidase substrates J.Biol.Chem., 279, 2004
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7YM8
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![BU of 7ym8 by Molmil](/molmil-images/mine/7ym8) | Cryo-EM structure of Nb29-alpha1AAR-miniGsq complex bound to oxymetazoline | Descriptor: | CHOLESTEROL HEMISUCCINATE, Oxymetazoline, alpha1A adrenergic receptor, ... | Authors: | Toyoda, Y, Zhu, A, Yan, C, Kobilka, B.K, Liu, X. | Deposit date: | 2022-07-27 | Release date: | 2023-07-05 | Method: | ELECTRON MICROSCOPY (2.92 Å) | Cite: | Structural basis of alpha 1A -adrenergic receptor activation and recognition by an extracellular nanobody. Nat Commun, 14, 2023
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1FSW
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![BU of 1fsw by Molmil](/molmil-images/mine/1fsw) | AMPC BETA-LACTAMASE FROM E. COLI COMPLEXED WITH INHIBITOR CEPHALOTHINBORONIC ACID | Descriptor: | CEPHALOSPORINASE, N-2-THIOPHEN-2-YL-ACETAMIDE BORONIC ACID, PHOSPHATE ION | Authors: | Caselli, E, Powers, R.A, Blaszczak, L.C, Wu, C.Y, Prati, F, Shoichet, B.K. | Deposit date: | 2000-09-11 | Release date: | 2001-03-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Energetic, structural, and antimicrobial analyses of beta-lactam side chain recognition by beta-lactamases. Chem.Biol., 8, 2001
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7ZH2
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![BU of 7zh2 by Molmil](/molmil-images/mine/7zh2) | SARS CoV Spike protein, Closed C1 conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, ... | Authors: | Toelzer, C, Gupta, K, Yadav, S.K.N, Buzas, D, Borucu, U, Schaffitzel, C, Berger, I. | Deposit date: | 2022-04-05 | Release date: | 2023-02-15 | Method: | ELECTRON MICROSCOPY (2.71 Å) | Cite: | The free fatty acid-binding pocket is a conserved hallmark in pathogenic beta-coronavirus spike proteins from SARS-CoV to Omicron. Sci Adv, 8, 2022
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1FSY
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![BU of 1fsy by Molmil](/molmil-images/mine/1fsy) | AMPC BETA-LACTAMASE FROM E. COLI COMPLEXED WITH INHIBITOR CLOXACILLINBORONIC ACID | Descriptor: | CEPHALOSPORINASE, N-[5-METHYL-3-O-TOLYL-ISOXAZOLE-4-CARBOXYLIC ACID AMIDE] BORONIC ACID, PHOSPHATE ION | Authors: | Caselli, E, Powers, R.A, Blasczcak, L.C, Wu, C.Y, Prati, F, Shoichet, B.K. | Deposit date: | 2000-09-11 | Release date: | 2001-03-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Energetic, structural, and antimicrobial analyses of beta-lactam side chain recognition by beta-lactamases. Chem.Biol., 8, 2001
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1APM
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![BU of 1apm by Molmil](/molmil-images/mine/1apm) | 2.0 ANGSTROM REFINED CRYSTAL STRUCTURE OF THE CATALYTIC SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE COMPLEXED WITH A PEPTIDE INHIBITOR AND DETERGENT | Descriptor: | N-OCTANE, PEPTIDE INHIBITOR PKI(5-24), cAMP-DEPENDENT PROTEIN KINASE | Authors: | Knighton, D.R, Bell, S.M, Zheng, J, Teneyck, L.F, Xuong, N.-H, Taylor, S.S, Sowadski, J.M. | Deposit date: | 1993-01-18 | Release date: | 1993-04-15 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 2.0 A refined crystal structure of the catalytic subunit of cAMP-dependent protein kinase complexed with a peptide inhibitor and detergent. Acta Crystallogr.,Sect.D, 49, 1993
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2NR6
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![BU of 2nr6 by Molmil](/molmil-images/mine/2nr6) | Crystal structure of the complex of antibody and the allergen Bla g 2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody heavy chain, ... | Authors: | Li, M, Gustchina, A, Wlodawer, A, Pomes, A, Wunschmann, S. | Deposit date: | 2006-11-01 | Release date: | 2008-02-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Crystal structure of a dimerized cockroach allergen Bla g 2 complexed with a monoclonal antibody. J.Biol.Chem., 283, 2008
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7P2I
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![BU of 7p2i by Molmil](/molmil-images/mine/7p2i) | Dimethylated fusion protein of RSL and nucleoporin peptide (Nup) in complex with cucurbit[7]uril, F432 cage assembly | Descriptor: | Fucose-binding lectin protein, cucurbit[7]uril, methyl alpha-L-fucopyranoside | Authors: | Guagnini, F, Ramberg, K, Crowley, P.B. | Deposit date: | 2021-07-06 | Release date: | 2021-09-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.489 Å) | Cite: | Segregated Protein-Cucurbit[7]uril Crystalline Architectures via Modulatory Peptide Tectons. Chemistry, 27, 2021
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