4EZ8
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![BU of 4ez8 by Molmil](/molmil-images/mine/4ez8) | Crystal structure of mouse thymidylate sythase in ternary complex with N(4)-hydroxy-2'-deoxycytidine-5'-monophosphate and the cofactor product, dihydrofolate | Descriptor: | 2'-deoxy-N-hydroxycytidine 5'-(dihydrogen phosphate), DIHYDROFOLIC ACID, GLYCEROL, ... | Authors: | Dowiercial, A, Jarmula, A, Rypniewski, W, Wilk, P, Kierdaszuk, B, Banaszak, K, Gorecka, K, Rode, W. | Deposit date: | 2012-05-02 | Release date: | 2013-05-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Crystal structures of complexes of mouse thymidylate synthase
crystallized with N4-OH-dCMP alone or in the presence of
N5,10-methylenetetrahydrofolate Pteridines, 2013
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4AW8
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![BU of 4aw8 by Molmil](/molmil-images/mine/4aw8) | X-ray structure of ZinT from Salmonella enterica in complex with zinc ion and PEG | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, Metal-binding protein ZinT, SODIUM ION, ... | Authors: | Alaleona, F, Ilari, A, Battistoni, A, Petrarca, P, Chiancone, E. | Deposit date: | 2012-06-01 | Release date: | 2013-06-19 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Salmonella Enterica Zint Structure, Zinc Affinity and Interaction with the High-Affinity Uptake Protein Znua Provide Insight Into the Management of Periplasmic Zinc. Biochim.Biophys.Acta, 1840, 2014
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6RVE
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![BU of 6rve by Molmil](/molmil-images/mine/6rve) | Co-substituted beta-Keggin bound to Proteinase K solved by MR | Descriptor: | Co-substituted beta-Keggin, Proteinase K, SULFATE ION, ... | Authors: | Breibeck, J, Bijelic, A, Rompel, A. | Deposit date: | 2019-05-31 | Release date: | 2019-09-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Transition metal-substituted Keggin polyoxotungstates enabling covalent attachment to proteinase K upon co-crystallization. Chem.Commun.(Camb.), 55, 2019
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6RZ2
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![BU of 6rz2 by Molmil](/molmil-images/mine/6rz2) | SalL with Chloroadenosine | Descriptor: | 5'-CHLORO-5'-DEOXYADENOSINE, Adenosyl-chloride synthase | Authors: | McKean, I, Frese, A, Cuetos, A, Burley, G, Grogan, G. | Deposit date: | 2019-06-12 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | S-Adenosyl Methionine Cofactor Modifications Enhance the Biocatalytic Repertoire of Small Molecule C-Alkylation. Angew.Chem.Int.Ed.Engl., 58, 2019
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4B2D
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![BU of 4b2d by Molmil](/molmil-images/mine/4b2d) | human PKM2 with L-serine and FBP bound. | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, PYRUVATE KINASE ISOZYMES M1/M2, ... | Authors: | Chaneton, B, Hillmann, P, Zheng, L, Martin, A.C.L, Maddocks, O.D.K, Chokkathukalam, A, Coyle, J.E, Jankevics, A, Holding, F.P, Vousden, K.H, Frezza, C, O'Reilly, M, Gottlieb, E. | Deposit date: | 2012-07-13 | Release date: | 2012-10-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Serine is a natural ligand and allosteric activator of pyruvate kinase M2. Nature, 491, 2012
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6S0X
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![BU of 6s0x by Molmil](/molmil-images/mine/6s0x) | Erythromycin Resistant Staphylococcus aureus 70S ribosome (delta R88 A89 uL22) in complex with erythromycin. | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Halfon, Y, Matozv, D, Eyal, Z, Bashan, A, Zimmerman, E, Kjeldgaard, J, Ingmer, H, Yonath, A. | Deposit date: | 2019-06-18 | Release date: | 2019-08-21 | Method: | ELECTRON MICROSCOPY (2.425 Å) | Cite: | Exit tunnel modulation as resistance mechanism of S. aureus erythromycin resistant mutant. Sci Rep, 9, 2019
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4B2Z
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![BU of 4b2z by Molmil](/molmil-images/mine/4b2z) | Structure of Osh6 in complex with phosphatidylserine | Descriptor: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, O-[(R)-{[(2R)-2,3-bis(octadecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine, ... | Authors: | Maeda, K, Anand, K, Chiapparino, A, Kumar, A, Poletto, M, Kaksonen, M, Gavin, A.C. | Deposit date: | 2012-07-19 | Release date: | 2013-06-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Interactome Map Uncovers Phosphatidylserine Transport by Oxysterol-Binding Proteins Nature, 501, 2013
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6S5A
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![BU of 6s5a by Molmil](/molmil-images/mine/6s5a) | CRYSTAL STRUCTURE OF FC P329G LALA WITH ANTI FC P329G FAB | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Fc P329G LALA, ... | Authors: | Ehler, A, Darowski, D, Jost, C, Stubenrauch, K, Wessels, U, Benz, J, Birk, M, Freimoser-Grundschober, A, Bruenker, P, Moessner, E, Umana, P, Kobold, S, Klein, C. | Deposit date: | 2019-07-01 | Release date: | 2019-09-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | P329G-CAR-J: a novel Jurkat-NFAT-based CAR-T reporter system recognizing the P329G Fc mutation. Protein Eng.Des.Sel., 32, 2019
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1CL1
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4B55
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![BU of 4b55 by Molmil](/molmil-images/mine/4b55) | Crystal Structure of the Covalent Adduct Formed between Mycobacterium marinum Aryalamine N-acetyltransferase and Phenyl vinyl ketone a derivative of Piperidinols | Descriptor: | 3-hydroxy-1-phenylpropan-1-one, ARYLAMINE N-ACETYLTRANSFERASE NAT | Authors: | Abuhammad, A, Fullam, E, Lowe, E.D, Staunton, D, Kawamura, A, Westwood, I.M, Bhakta, S, Garner, A.C, Wilson, D.L, Seden, P.T, Davies, S.G, Russell, A.J, Garman, E.F, Sim, E. | Deposit date: | 2012-08-02 | Release date: | 2013-01-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Piperidinols that Show Anti-Tubercular Activity as Inhibitors of Arylamine N-Acetyltransferase: An Essential Enzyme for Mycobacterial Survival Inside Macrophages. Plos One, 7, 2012
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4AYH
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![BU of 4ayh by Molmil](/molmil-images/mine/4ayh) | The X-ray structure of zinc bound ZinT | Descriptor: | METAL-BINDING PROTEIN YODA, SULFATE ION, ZINC ION | Authors: | Alaleona, F, Ilari, A, Battistoni, A, Petrarca, P, Chiancone, E. | Deposit date: | 2012-06-21 | Release date: | 2013-07-10 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | The Salmonella Enterica Zint Structure, Zinc Affinity and Interaction with the High-Affinity Uptake Protein Znua Provide Insight Into the Management of Periplasmic Zinc. Biochim.Biophys.Acta, 1840, 2014
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5VGC
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![BU of 5vgc by Molmil](/molmil-images/mine/5vgc) | Crystal structure of the NleG5-1 effector (C200A) from Escherichia coli O157:H7 str. Sakai | Descriptor: | CALCIUM ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Borek, D, Valleau, D, Skarina, T, Jobin, M.C, Wawrzak, Z, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-04-10 | Release date: | 2018-04-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of the NleG5-1 effector (C200A) from Escherichia coli O157:H7 str. Sakai To Be Published
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6RKB
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![BU of 6rkb by Molmil](/molmil-images/mine/6rkb) | Crystal structure of human monoamine oxidase B in complex with styrylpiperidine analogue 1 | Descriptor: | 4-[(~{E})-2-(4-fluorophenyl)ethenyl]-1-[(~{E})-prop-1-enyl]piperidine, Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Iacovino, L.G, Knez, D, Colettis, N, Sova, M, Pislar, A, Higgs, J, Kamecki, F, Mangialavori, I, Dolsak, A, Zakelj, S, Trontelj, J, Kos, J, Marder, N.M, Gobec, S, Binda, C. | Deposit date: | 2019-04-30 | Release date: | 2020-01-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Stereoselective Activity of 1-Propargyl-4-styrylpiperidine-like Analogues That Can Discriminate between Monoamine Oxidase Isoforms A and B. J.Med.Chem., 63, 2020
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6RKP
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![BU of 6rkp by Molmil](/molmil-images/mine/6rkp) | Crystal structure of human monoamine oxidase B in complex with styrylpiperidine analogue 84 | Descriptor: | 1-[(~{E})-prop-1-enyl]-4-[(~{E})-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidine, Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Iacovino, L.G, Knez, D, Colettis, N, Sova, M, Pislar, A, Higgs, J, Kamecki, F, Mangialavori, I, Dolsak, A, Zakelj, S, Trontelj, J, Kos, J, Marder, N.M, Gobec, S, Binda, C. | Deposit date: | 2019-04-30 | Release date: | 2020-01-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Stereoselective Activity of 1-Propargyl-4-styrylpiperidine-like Analogues That Can Discriminate between Monoamine Oxidase Isoforms A and B. J.Med.Chem., 63, 2020
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4FFP
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![BU of 4ffp by Molmil](/molmil-images/mine/4ffp) | PylC in complex with L-lysine-Ne-D-ornithine (cocrystallized with L-lysine and D-ornithine) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, N~6~-D-ornithyl-L-lysine, ... | Authors: | Quitterer, F, List, A, Beck, P, Bacher, A, Groll, M. | Deposit date: | 2012-06-01 | Release date: | 2012-09-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Biosynthesis of the 22nd genetically encoded amino acid pyrrolysine: structure and reaction mechanism of PylC at 1.5A resolution. J.Mol.Biol., 424, 2012
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6RVG
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![BU of 6rvg by Molmil](/molmil-images/mine/6rvg) | |
4U2A
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![BU of 4u2a by Molmil](/molmil-images/mine/4u2a) | Structure of a lectin from the seeds of Vatairea macrocarpa complexed with GalNAc | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, CALCIUM ION, CITRIC ACID, ... | Authors: | Sousa, B.L, Silva-Filho, J.C, Kumar, P, Lyskowski, A, Bezerra, G.A, Delatorre, P, Rocha, B.A.M, Nagano, C.S, Gruber, K, Cavada, B.S. | Deposit date: | 2014-07-16 | Release date: | 2014-12-31 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | High-resolution structure of a new Tn antigen-binding lectin from Vatairea macrocarpa and a comparative analysis of Tn-binding legume lectins. Int.J.Biochem.Cell Biol., 59C, 2014
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5V9X
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![BU of 5v9x by Molmil](/molmil-images/mine/5v9x) | Structure of Mycobacterium smegmatis helicase Lhr bound to ssDNA and AMP-PNP | Descriptor: | ATP-dependent DNA helicase, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Ordonez, H, Jacewicz, A, Ferrao, R, Shuman, S. | Deposit date: | 2017-03-23 | Release date: | 2017-12-06 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.797 Å) | Cite: | Structure of mycobacterial 3'-to-5' RNA:DNA helicase Lhr bound to a ssDNA tracking strand highlights distinctive features of a novel family of bacterial helicases. Nucleic Acids Res., 46, 2018
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1ST8
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![BU of 1st8 by Molmil](/molmil-images/mine/1st8) | Crystal structure of fructan 1-exohydrolase IIa from Cichorium intybus | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Verhaest, M, Van den Ende, W, De Ranter, C.J, Van Laere, A, Rabijns, A. | Deposit date: | 2004-03-25 | Release date: | 2005-03-01 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | X-ray diffraction structure of a plant glycosyl hydrolase family 32 protein: fructan 1-exohydrolase IIa of Cichorium intybus. Plant J., 41, 2005
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6RUK
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![BU of 6ruk by Molmil](/molmil-images/mine/6ruk) | |
6RUW
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4TVH
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![BU of 4tvh by Molmil](/molmil-images/mine/4tvh) | HIV Protease (PR) dimer in closed form with TL-3 in active site and fragment AK-2097 in the outside/top of flap | Descriptor: | 3-(morpholin-4-ylmethyl)-1H-indole-6-carboxylic acid, BETA-MERCAPTOETHANOL, Protease, ... | Authors: | Tiefenbrunn, T, Kislukhin, A, Finn, M.G, Stout, C.D. | Deposit date: | 2014-06-26 | Release date: | 2014-09-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.195 Å) | Cite: | Distinguishing Binders from False Positives by Free Energy Calculations: Fragment Screening Against the Flap Site of HIV Protease. J.Phys.Chem.B, 119, 2015
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6TXR
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![BU of 6txr by Molmil](/molmil-images/mine/6txr) | Structural insights into cubane-modified aptamer recognition of a malaria biomarker | Descriptor: | 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, ... | Authors: | Cheung, Y, Roethlisberger, P, Mechaly, A, Weber, P, Wong, A, Lo, Y, Haouz, A, Savage, P, Hollenstein, M, Tanner, J. | Deposit date: | 2020-01-14 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Evolution of abiotic cubane chemistries in a nucleic acid aptamer allows selective recognition of a malaria biomarker. Proc.Natl.Acad.Sci.USA, 117, 2020
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4CZU
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![BU of 4czu by Molmil](/molmil-images/mine/4czu) | |
1CAU
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![BU of 1cau by Molmil](/molmil-images/mine/1cau) | DETERMINATION OF THREE CRYSTAL STRUCTURES OF CANAVALIN BY MOLECULAR REPLACEMENT | Descriptor: | CANAVALIN | Authors: | Ko, T-P, Ng, J.D, Day, J, Greenwood, A, McPherson, A. | Deposit date: | 1993-07-08 | Release date: | 1993-10-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Determination of three crystal structures of canavalin by molecular replacement. Acta Crystallogr.,Sect.D, 49, 1993
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