6PO0
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6PQD
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![BU of 6pqd by Molmil](/molmil-images/mine/6pqd) | The crystal structure of 3-methylthiobenzoate-bound CYP199A4 | Descriptor: | 3-(methylsulfanyl)benzoic acid, CHLORIDE ION, Cytochrome P450, ... | Authors: | Podgorski, M.N, Bruning, J.B, Bell, S.G. | Deposit date: | 2019-07-09 | Release date: | 2019-11-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Investigation of the requirements for efficient and selective cytochrome P450 monooxygenase catalysis across different reactions. J.Inorg.Biochem., 203, 2019
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6PL6
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![BU of 6pl6 by Molmil](/molmil-images/mine/6pl6) | Structural coordination of polymerization and crosslinking by a peptidoglycan synthase complex | Descriptor: | (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Penicillin-binding protein 2/cell division protein FtsI, Peptidoglycan glycosyltransferase RodA, ... | Authors: | Sjodt, M, Rohs, P.D.A, Erlandson, S.C, Zheng, S, Rudner, D.Z, Bernhardt, T.G, Kruse, A.C. | Deposit date: | 2019-06-30 | Release date: | 2020-03-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural coordination of polymerization and crosslinking by a SEDS-bPBP peptidoglycan synthase complex. Nat Microbiol, 5, 2020
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6PQW
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![BU of 6pqw by Molmil](/molmil-images/mine/6pqw) | The crystal structure of 3-methylbenzoate-bound CYP199A4 | Descriptor: | 3-methylbenzoic acid, CHLORIDE ION, Cytochrome P450, ... | Authors: | Podgorski, M.N, Bruning, J.B, Bell, S.G. | Deposit date: | 2019-07-10 | Release date: | 2019-11-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.679 Å) | Cite: | Investigation of the requirements for efficient and selective cytochrome P450 monooxygenase catalysis across different reactions. J.Inorg.Biochem., 203, 2019
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3CI1
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![BU of 3ci1 by Molmil](/molmil-images/mine/3ci1) | Structure of the PduO-type ATP:co(I)rrinoid adenosyltransferase from Lactobacillus reuteri complexed with four-coordinate cob(II)alamin and ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, COBALAMIN, Cobalamin adenosyltransferase PduO-like protein, ... | Authors: | Maurice, M.St, Mera, P.E, Escalante-Semerena, J.C, Rayment, I. | Deposit date: | 2008-03-10 | Release date: | 2008-05-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural characterization of a human-type corrinoid adenosyltransferase confirms that coenzyme B12 is synthesized through a four-coordinate intermediate. Biochemistry, 47, 2008
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6XVK
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![BU of 6xvk by Molmil](/molmil-images/mine/6xvk) | Crystal structure of the KDR (VEGFR2) kinase domain in complex with a type-II inhibitor bearing an acrylamide | Descriptor: | Vascular endothelial growth factor receptor 2, ~{N}-(4,4-dimethyl-2-prop-1-ynyl-3,1-benzoxazin-6-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide | Authors: | Schimpl, M, McAuley, K, Hoyt, E.A, Thomas, M, Bodnarchuk, M.S, Lewis, H.J, Barratt, D, Deery, M.J, Ogg, D.J, Bernardes, G.J.L, Ward, R.A, Kettle, J.G, Waring, M.J. | Deposit date: | 2020-01-22 | Release date: | 2020-05-27 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors. J.Am.Chem.Soc., 142, 2020
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3CJ4
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3N89
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![BU of 3n89 by Molmil](/molmil-images/mine/3n89) | KH domains | Descriptor: | Defective in germ line development protein 3, isoform a | Authors: | Nakel, K, Hartung, S.A, Bonneau, F, Eckmann, C.R, Conti, E. | Deposit date: | 2010-05-28 | Release date: | 2010-09-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.789 Å) | Cite: | Four KH domains of the C. elegans Bicaudal-C ortholog GLD-3 form a globular structural platform. Rna, 16, 2010
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7QVL
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![BU of 7qvl by Molmil](/molmil-images/mine/7qvl) | OESTROGEN RECEPTOR LIGAND BINDING DOMAIN IN COMPLEX WITH COMPOUND 38 | Descriptor: | (2~{R})-3-[(1~{R},3~{R})-1-[5-fluoranyl-2-[2-(3-fluoranylpropylamino)ethoxy]-3-methyl-pyridin-4-yl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-methyl-propanoic acid, Estrogen receptor | Authors: | Breed, J. | Deposit date: | 2022-01-21 | Release date: | 2023-02-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of a Potent and Orally Bioavailable Zwitterionic Series of Selective Estrogen Receptor Degrader-Antagonists. J.Med.Chem., 66, 2023
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3CMD
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![BU of 3cmd by Molmil](/molmil-images/mine/3cmd) | Crystal structure of peptide deformylase from VRE-E.faecium | Descriptor: | FE (III) ION, MALONATE ION, Peptide deformylase, ... | Authors: | Hwang, K.Y, Nam, K.H. | Deposit date: | 2008-03-21 | Release date: | 2009-01-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Insight into the antibacterial drug design and architectural mechanism of peptide recognition from the E. faecium peptide deformylase structure. Proteins, 74, 2009
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3CX6
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3CN8
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3CNN
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![BU of 3cnn by Molmil](/molmil-images/mine/3cnn) | GTP-bound structure of TM YlqF | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, Putative uncharacterized protein | Authors: | Kim, D.J, Jang, J.Y, Yoon, H.-J, Suh, S.W. | Deposit date: | 2008-03-26 | Release date: | 2008-06-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of YlqF, a circularly permuted GTPase: Implications for its GTPase activation in 50 S ribosomal subunit assembly Proteins, 72, 2008
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3NCK
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7Q99
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![BU of 7q99 by Molmil](/molmil-images/mine/7q99) | MHC Class I A02 Allele presenting NLSALGIFST, in complex with Mel5 TCR | Descriptor: | 1,2-ETHANEDIOL, ASN-LEU-SER-ALA-LEU-GLY-ILE-PHE-SER-THR, Beta-2-microglobulin, ... | Authors: | Rizkallah, P.J, Sewell, A.K, Wall, A, Fuller, A. | Deposit date: | 2021-11-12 | Release date: | 2023-02-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Targeting of multiple tumor-associated antigens by individual T cell receptors during successful cancer immunotherapy. Cell, 186, 2023
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7Q98
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![BU of 7q98 by Molmil](/molmil-images/mine/7q98) | MHC Class I A02 Allele presenting NLSALGIFST | Descriptor: | 1,2-ETHANEDIOL, ASN-LEU-SER-ALA-LEU-GLY-ILE-PHE-SER-THR, Beta-2-microglobulin, ... | Authors: | Rizkallah, P.J, Sewell, A.K. | Deposit date: | 2021-11-12 | Release date: | 2023-02-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Targeting of multiple tumor-associated antigens by individual T cell receptors during successful cancer immunotherapy. Cell, 186, 2023
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7Q9A
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![BU of 7q9a by Molmil](/molmil-images/mine/7q9a) | MHC Class I A02 Allele presenting LLLGIGILVL, in complex with Mel5 TCR | Descriptor: | Beta-2-microglobulin, GLYCEROL, Human Mel5 T Cell Receptor, ... | Authors: | Rizkallah, P.J, Sewell, A.K, Wall, A, Fuller, A. | Deposit date: | 2021-11-12 | Release date: | 2023-02-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Targeting of multiple tumor-associated antigens by individual T cell receptors during successful cancer immunotherapy. Cell, 186, 2023
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6PLH
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![BU of 6plh by Molmil](/molmil-images/mine/6plh) | FAB fragment complexed with C-mannosylated tryptophan peptide | Descriptor: | Fab 5G12 heavy chain, Fab 5G12 light chain, Interleukin-21 receptor, ... | Authors: | John, A, Jarva, M.A, Goddard-Borger, E.D. | Deposit date: | 2019-06-30 | Release date: | 2020-07-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Yeast- and antibody-based tools for studying tryptophan C-mannosylation. Nat.Chem.Biol., 17, 2021
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3CSJ
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![BU of 3csj by Molmil](/molmil-images/mine/3csj) | Human glutathione s-transferase p1-1 in complex with chlorambucil | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORAMBUCIL, CHLORIDE ION, ... | Authors: | Parker, L.J. | Deposit date: | 2008-04-09 | Release date: | 2008-07-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The anti-cancer drug chlorambucil as a substrate for the human polymorphic enzyme glutathione transferase P1-1: kinetic properties and crystallographic characterisation of allelic variants. J.Mol.Biol., 380, 2008
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6PFV
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![BU of 6pfv by Molmil](/molmil-images/mine/6pfv) | Structure of S. venezuelae RisG-WhiG-c-di-GMP complex: orthorhombic crystal form | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), AmfC protein, RNA polymerase sigma factor | Authors: | Schumacher, M.A. | Deposit date: | 2019-06-22 | Release date: | 2019-11-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | c-di-GMP Arms an Anti-sigma to Control Progression of Multicellular Differentiation in Streptomyces. Mol.Cell, 77, 2020
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3NFP
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![BU of 3nfp by Molmil](/molmil-images/mine/3nfp) | Crystal structure of the Fab fragment of therapeutic antibody daclizumab in complex with IL-2Ra (CD25) ectodomain | Descriptor: | Heavy chain of Fab fragment of daclizumab, Interleukin-2 receptor subunit alpha, Light chain of Fab fragment of daclizumab | Authors: | Yang, H, Wang, J, Du, J, Zhong, C, Guo, Y, Ding, J. | Deposit date: | 2010-06-10 | Release date: | 2010-09-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | Structural basis of immunosuppression by the therapeutic antibody daclizumab Cell Res., 20, 2010
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3CKW
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![BU of 3ckw by Molmil](/molmil-images/mine/3ckw) | Crystal structure of sterile 20-like kinase 3 (MST3, STK24) | Descriptor: | MERCURY (II) ION, Serine/threonine-protein kinase 24 | Authors: | Antonysamy, S.S, Burley, S.K, Buchanan, S, Chau, F, Feil, I, Wu, L, Sauder, J.M, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2008-03-17 | Release date: | 2008-04-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Crystal structure of sterile 20-like kinase 3 (MST3, STK24). To be Published
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3O75
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![BU of 3o75 by Molmil](/molmil-images/mine/3o75) | Crystal structure of Cra transcriptional dual regulator from Pseudomonas putida in complex with fructose 1-phosphate' | Descriptor: | 1-O-phosphono-beta-D-fructofuranose, Fructose transport system repressor FruR | Authors: | Chavarria, M, Santiago, C, Platero, R, Krell, T, Casasnovas, J.M, de Lorenzo, V. | Deposit date: | 2010-07-30 | Release date: | 2011-01-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Fructose 1-phosphate is the preferred effector of the metabolic regulator Cra of Pseudomonas putida J.Biol.Chem., 286, 2011
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3O7A
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![BU of 3o7a by Molmil](/molmil-images/mine/3o7a) | Crystal structure of PHF13 in complex with H3K4me3 | Descriptor: | GLYCEROL, H3K4ME3 HISTONE 11MER-PEPTIDE, PHD finger protein 13 variant, ... | Authors: | Bian, C.B, Lam, R, Xu, C, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2010-07-30 | Release date: | 2010-10-06 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | PHF13 is a molecular reader and transcriptional co-regulator of H3K4me2/3. Elife, 5, 2016
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6ZL7
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![BU of 6zl7 by Molmil](/molmil-images/mine/6zl7) | CRYSTAL STRUCTURE OF C173S MUTATION IN THE PMGL2 ESTERASE FROM PERMAFROST METAGENOMIC LIBRARY | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, MAGNESIUM ION, PMGL2 | Authors: | Goryaynova, D.A, Boyko, K.M, Nikolaeva, A.Y, Korzhenevskiy, D.A, Kryukova, M.V, Petrovskaya, L.E, Novototskaya-Vlasova, K.A, Rivkina, E.M, Dolgikh, D.A, Kirpichnikov, M.P, Popov, V.O. | Deposit date: | 2020-06-30 | Release date: | 2020-07-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | CRYSTAL STRUCTURE OF C173S MUTATION IN THE PMGL2 ESTERASE FROM PERMAFROST METAGENOMIC LIBRARY To Be Published
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