7L7L
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![BU of 7l7l by Molmil](/molmil-images/mine/7l7l) | Crystal structure of HCV NS3/4A D168A protease in complex with NR01-129 | Descriptor: | 1,1,1-trifluoro-2-methylpropan-2-yl [(2R,6S,12Z,13aS,14aR,16aS)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate, 1,2-ETHANEDIOL, NS3/4A protease, ... | Authors: | Zephyr, J, Schiffer, C.A. | Deposit date: | 2020-12-29 | Release date: | 2021-09-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Discovery of Quinoxaline-Based P1-P3 Macrocyclic NS3/4A Protease Inhibitors with Potent Activity against Drug-Resistant Hepatitis C Virus Variants. J.Med.Chem., 64, 2021
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7F8G
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1E4V
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2R96
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![BU of 2r96 by Molmil](/molmil-images/mine/2r96) | Crystal structure of E. coli WrbA in complex with FMN | Descriptor: | 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, Flavoprotein WrbA | Authors: | Kuta Smatanova, I, Wolfova, J, Brynda, J, Mesters, J.R, Grandori, R, Carey, J. | Deposit date: | 2007-09-12 | Release date: | 2008-09-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural organization of WrbA in apo- and holoprotein crystals. Biochim.Biophys.Acta, 1794, 2009
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5K9T
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6PYC
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![BU of 6pyc by Molmil](/molmil-images/mine/6pyc) | Structure of kappa-on-heavy (KoH) antibody Fab bound to the cardiac hormone marinobufagenin | Descriptor: | (3beta,5beta,14alpha,15beta)-3,5-dihydroxy-14,15-epoxybufa-20,22-dienolide, KoH body Fab heavy chain, KoH body Fab light chain, ... | Authors: | Franklin, M.C, Macdonald, L.E, McWhirter, J, Murphy, A.J. | Deposit date: | 2019-07-29 | Release date: | 2019-12-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Kappa-on-Heavy (KoH) bodies are a distinct class of fully-human antibody-like therapeutic agents with antigen-binding properties. Proc.Natl.Acad.Sci.USA, 117, 2020
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2R97
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![BU of 2r97 by Molmil](/molmil-images/mine/2r97) | Crystal structure of E. coli WrbA in complex with FMN | Descriptor: | FLAVIN MONONUCLEOTIDE, Flavoprotein WrbA | Authors: | Kuta Smatanova, I, Wolfova, J, Brynda, J, Mesters, J.R, Grandori, R, Carey, J. | Deposit date: | 2007-09-12 | Release date: | 2008-09-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural organization of WrbA in apo- and holoprotein crystals. Biochim.Biophys.Acta, 1794, 2009
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2CK1
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![BU of 2ck1 by Molmil](/molmil-images/mine/2ck1) | The structure of oxidised cyclophilin A from s. mansoni | Descriptor: | ACETATE ION, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE E | Authors: | Gourlay, L.J, Angelucci, F, Bellelli, A, Boumis, G, Miele, A.E, Brunori, M. | Deposit date: | 2006-04-10 | Release date: | 2007-05-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Three-Dimensional Structure of Two Redox States of Cyclophilin-A from Schistosoma Mansoni: Evidence for Redox- Regulation of Peptidyl-Prolyl Cis-Trans Isomerase Activity. J.Biol.Chem., 282, 2007
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2CMT
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![BU of 2cmt by Molmil](/molmil-images/mine/2cmt) | The structure of reduced cyclophilin A from s. mansoni | Descriptor: | ACETATE ION, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE E | Authors: | Gourlay, L.J, Angelucci, F, Bellelli, A, Boumis, G, Miele, A.E, Brunori, M. | Deposit date: | 2006-05-12 | Release date: | 2007-05-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The Three-Dimensional Structure of Two Redox States of Cyclophilin a from Schistosoma Mansoni. Evidence for Redox Regulation of Peptidyl-Prolyl Cis-Trans Isomerase Activity. J.Biol.Chem., 282, 2007
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1ODB
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![BU of 1odb by Molmil](/molmil-images/mine/1odb) | THE CRYSTAL STRUCTURE OF HUMAN S100A12 - COPPER COMPLEX | Descriptor: | CALCIUM ION, CALGRANULIN C, COPPER (II) ION | Authors: | Moroz, O.V, Antson, A.A, Grist, S.J, Maitland, N.J, Dodson, G.G, Wilson, K.S, Lukanidin, E.M, Bronstein, I.B. | Deposit date: | 2003-02-15 | Release date: | 2003-06-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Structure of the Human S100A12-Copper Complex: Implications for Host-Parasite Defence Acta Crystallogr.,Sect.D, 59, 2003
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2MBR
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![BU of 2mbr by Molmil](/molmil-images/mine/2mbr) | MURB WILD TYPE, COMPLEX WITH ENOLPYRUVYL-UDP-N-ACETYLGLUCOSAMINE | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, URIDINE DIPHOSPHO-N-ACETYLENOLPYRUVYLGLUCOSAMINE REDUCTASE, URIDINE-DIPHOSPHATE-2(N-ACETYLGLUCOSAMINYL) BUTYRIC ACID | Authors: | Benson, T.E, Walsh, C.T, Hogle, J.M. | Deposit date: | 1996-11-08 | Release date: | 1997-04-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-ray crystal structures of the S229A mutant and wild-type MurB in the presence of the substrate enolpyruvyl-UDP-N-acetylglucosamine at 1.8-A resolution. Biochemistry, 36, 1997
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6QE6
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![BU of 6qe6 by Molmil](/molmil-images/mine/6qe6) | Structure of M. capricolum TrmK in complex with the natural cofactor product S-adenosyl-homocysteine (SAH) | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, tRNA (Adenine(22)-N(1))-methyltransferase | Authors: | Oerum, S, Catala, M, Atdjian, C, Brachet, F, Ponchon, L, Barraud, P, Iannazzo, L, Droogmans, L, Braud, E, Etheve-Quelquejeu, M, Tisne, C. | Deposit date: | 2019-01-04 | Release date: | 2019-03-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Bisubstrate analogues as structural tools to investigate m6A methyltransferase active sites. Rna Biol., 16, 2019
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5HD4
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![BU of 5hd4 by Molmil](/molmil-images/mine/5hd4) | Dissecting Therapeutic Resistance to ERK Inhibition Rat Wild Type SCH772984 in complex with (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide | Descriptor: | (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... | Authors: | Jha, S, Morris, E.J, Hruza, A, Mansueto, M.S, Schroeder, G, Arbanas, J, McMasters, D, Restaino, C.R, Dayananth, R, Black, S, Elsen, N.L, Mannarino, A, Cooper, A, Fawell, S, Zawel, L, Jayaraman, L, Samatar, A.A. | Deposit date: | 2016-01-04 | Release date: | 2016-02-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Dissecting Therapeutic Resistance to ERK Inhibition. Mol.Cancer Ther., 15, 2016
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7FCS
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2RG1
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![BU of 2rg1 by Molmil](/molmil-images/mine/2rg1) | Crystal structure of E. coli WrbA apoprotein | Descriptor: | CHLORIDE ION, Flavoprotein WrbA | Authors: | Kuta Smatanova, I, Wolfova, J, Brynda, J, Lapkouski, M, Mesters, J.R, Grandori, R, Carey, J. | Deposit date: | 2007-10-02 | Release date: | 2008-10-14 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural organization of WrbA in apo- and holoprotein crystals. Biochim.Biophys.Acta, 1794, 2009
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7LUU
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![BU of 7luu by Molmil](/molmil-images/mine/7luu) | Kinetic and Structural Characterization of the First B3 Metallo-beta-Lactamase with an Active Site Glutamic Acid | Descriptor: | GLYCEROL, SULFATE ION, Subclass B3 metallo-beta-lactamase, ... | Authors: | Wilson, L, Knaven, E, Morris, M.T, Schenk, G. | Deposit date: | 2021-02-23 | Release date: | 2021-07-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Kinetic and Structural Characterization of the First B3 Metallo-beta-Lactamase with an Active-Site Glutamic Acid. Antimicrob.Agents Chemother., 65, 2021
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3HK3
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![BU of 3hk3 by Molmil](/molmil-images/mine/3hk3) | Crystal structure of murine thrombin mutant W215A/E217A (one molecule in the asymmetric unit) | Descriptor: | Thrombin heavy chain, Thrombin light chain | Authors: | Gandhi, P.S, Page, M.J, Chen, Z, Bush-Pelc, L, Di Cera, E. | Deposit date: | 2009-05-22 | Release date: | 2009-07-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Mechanism of the Anticoagulant Activity of Thrombin Mutant W215A/E217A. J.Biol.Chem., 284, 2009
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3HK6
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![BU of 3hk6 by Molmil](/molmil-images/mine/3hk6) | Crystal structure of murine thrombin mutant W215A/E217A (two molecules in the asymmetric unit) | Descriptor: | Thrombin heavy chain, Thrombin light chain | Authors: | Gandhi, P.S, Page, M.J, Chen, Z, Bush-Pelc, L, Di Cera, E. | Deposit date: | 2009-05-22 | Release date: | 2009-07-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Mechanism of the Anticoagulant Activity of Thrombin Mutant W215A/E217A. J.Biol.Chem., 284, 2009
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6Q68
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7LRG
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4ZCS
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![BU of 4zcs by Molmil](/molmil-images/mine/4zcs) | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase in complex with CDP-choline | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Choline-phosphate cytidylyltransferase, [2-CYTIDYLATE-O'-PHOSPHONYLOXYL]-ETHYL-TRIMETHYL-AMMONIUM | Authors: | Guca, E, Hoh, F, Guichou, J.-F, Cerdan, R. | Deposit date: | 2015-04-16 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural determinants of the catalytic mechanism of Plasmodium CCT, a key enzyme of malaria lipid biosynthesis. Sci Rep, 8, 2018
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5YXC
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![BU of 5yxc by Molmil](/molmil-images/mine/5yxc) | Crystal structure of Zinc binding protein ZinT in complex with citrate from E. coli | Descriptor: | CITRIC ACID, Metal-binding protein ZinT, ZINC ION | Authors: | Chen, J, Wang, L, Shang, F, Xu, Y. | Deposit date: | 2017-12-04 | Release date: | 2017-12-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.763 Å) | Cite: | Crystal structure of E. coli ZinT with one zinc-binding mode and complexed with citrate Biochem. Biophys. Res. Commun., 500, 2018
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2M3J
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4PJD
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![BU of 4pjd by Molmil](/molmil-images/mine/4pjd) | Structure of human MR1-5-OP-RU in complex with human MAIT C-C10 TCR | Descriptor: | 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, GLYCEROL, ... | Authors: | Birkinshaw, R.W, Rossjohn, J. | Deposit date: | 2014-05-12 | Release date: | 2014-07-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | A molecular basis underpinning the T cell receptor heterogeneity of mucosal-associated invariant T cells. J.Exp.Med., 211, 2014
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7LG8
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![BU of 7lg8 by Molmil](/molmil-images/mine/7lg8) | EGFR (T79M/V948R) in complex with naquotinib and an allosteric inhibitor | Descriptor: | (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{6-[4-(1-methylpiperidin-4-yl)phenyl]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide, 6-ethyl-3-[[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]oxy-pyrazin e-2-carboxamide, Epidermal growth factor receptor | Authors: | Beyett, T.S, Eck, M.J. | Deposit date: | 2021-01-19 | Release date: | 2022-02-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.93 Å) | Cite: | Molecular basis for cooperative binding and synergy of ATP-site and allosteric EGFR inhibitors. Nat Commun, 13, 2022
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