6LXC
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![BU of 6lxc by Molmil](/molmil-images/mine/6lxc) | X-ray structure of human PPARalpha ligand binding domain-saroglitazar co-crystals obtained by delipidation and cross-seeding | Descriptor: | (2S)-2-ethoxy-3-[4-[2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethoxy]phenyl]propanoic acid, Peroxisome proliferator-activated receptor alpha | Authors: | Kamata, S, Honda, A, Ishikawa, R, Akahane, M, Oyama, T, Ishii, I. | Deposit date: | 2020-02-10 | Release date: | 2020-11-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates. Iscience, 23, 2020
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6PI5
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![BU of 6pi5 by Molmil](/molmil-images/mine/6pi5) | The evolving story of AtzT, a periplasmic binding protein | Descriptor: | Atrazine periplasmic binding protein, DIMETHYL SULFOXIDE, GUANINE | Authors: | Peat, T.S, Newman, J, Scott, C, Esquirol, L, Dennis, M, Nebl, T. | Deposit date: | 2019-06-26 | Release date: | 2019-11-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | The evolving story of AtzT, a periplasmic binding protein. Acta Crystallogr D Struct Biol, 75, 2019
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6SBR
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![BU of 6sbr by Molmil](/molmil-images/mine/6sbr) | The crystal structure of PfA-M1 in complex with 7-amino-1,4-dibromo-5,7,8,9-tetrahydrobenzocyclohepten-6-one | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ... | Authors: | Salomon, E, Schmitt, M, Mouray, E, McEwen, A.G, Torchy, M, Poussin-Courmontagne, P, Alavi, S, Tarnus, C, Cavarelli, J, Florent, I, Albrecht, S. | Deposit date: | 2019-07-22 | Release date: | 2020-03-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Aminobenzosuberone derivatives as PfA-M1 inhibitors: Molecular recognition and antiplasmodial evaluation. Bioorg.Chem., 98, 2020
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6EZN
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![BU of 6ezn by Molmil](/molmil-images/mine/6ezn) | Cryo-EM structure of the yeast oligosaccharyltransferase (OST) complex | Descriptor: | 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wild, R, Kowal, J, Eyring, J, Ngwa, E.M, Aebi, M, Locher, K.P. | Deposit date: | 2017-11-16 | Release date: | 2018-01-17 | Last modified: | 2022-12-07 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Molecular basis for glycan recognition and reaction priming of eukaryotic oligosaccharyltransferase. Nat Commun, 13, 2022
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6AWT
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![BU of 6awt by Molmil](/molmil-images/mine/6awt) | Structure of PR 10 Allergen in complex with epicatechin | Descriptor: | (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol, BENZOIC ACID, PR 10 protein, ... | Authors: | Offermann, L.R, Perdue, M, McBride, J, Hurlburt, B.K, Maleki, S.J, Pote, S.S, Chruszcz, M. | Deposit date: | 2017-09-06 | Release date: | 2018-09-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of PR-10 Allergen Ara h 8.01. To Be Published
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7Q5A
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![BU of 7q5a by Molmil](/molmil-images/mine/7q5a) | Lanreotide nanotube | Descriptor: | Lanreotide | Authors: | Pieri, L, Wang, F, Arteni, A.A, Bressanelli, S, Egelman, E.H, Paternostre, M. | Deposit date: | 2021-11-03 | Release date: | 2022-04-06 | Method: | ELECTRON MICROSCOPY (2.46 Å) | Cite: | Atomic structure of Lanreotide nanotubes revealed by cryo-EM. Proc.Natl.Acad.Sci.USA, 119, 2022
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8QWR
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![BU of 8qwr by Molmil](/molmil-images/mine/8qwr) | Crystal structure of CotB2 variant V80L | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Cyclooctat-9-en-7-ol synthase, ... | Authors: | Dimos, N, Himpich, S, Ringel, M, Driller, R, Major, D.T, Brueck, T, Loll, B. | Deposit date: | 2023-10-20 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of CotB2 variant V80L To Be Published
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6PPJ
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![BU of 6ppj by Molmil](/molmil-images/mine/6ppj) | Cryo-EM structure of AdnA(D934A)-AdnB(D1014A) in complex with AMPPNP | Descriptor: | ATP-dependent DNA helicase (UvrD/REP), IRON/SULFUR CLUSTER, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Jia, N, Unciuleac, M, Shuman, S, Patel, D.J. | Deposit date: | 2019-07-07 | Release date: | 2019-11-20 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structures and single-molecule analysis of bacterial motor nuclease AdnAB illuminate the mechanism of DNA double-strand break resection. Proc.Natl.Acad.Sci.USA, 116, 2019
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5F01
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![BU of 5f01 by Molmil](/molmil-images/mine/5f01) | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH (1SR,2SR)-2-((R)-2-amino-5,5-difluoro-4-methyl-5,6-dihydro-4H-1,3-oxazin-4-yl)-N-(3-chloroquinolin-8-yl)cyclopropanecarboxamide | Descriptor: | (1~{R},2~{R})-2-[(4~{R})-2-azanyl-5,5-bis(fluoranyl)-4-methyl-6~{H}-1,3-oxazin-4-yl]-~{N}-(3-chloranylquinolin-8-yl)cyclopropane-1-carboxamide, ACETATE ION, Beta-secretase 1, ... | Authors: | Banner, D, Benz, J, Stihle, M, Kuglstatter, A. | Deposit date: | 2015-11-27 | Release date: | 2016-02-24 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | A Real-World Perspective on Molecular Design. J.Med.Chem., 59, 2016
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6J13
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![BU of 6j13 by Molmil](/molmil-images/mine/6j13) | Redox protein from Chlamydomonas reinhardtii | Descriptor: | 2-cys peroxiredoxin | Authors: | Charoenwattansatien, R, Zinzius, K, Tanaka, H, Hippler, M, Kurisu, G. | Deposit date: | 2018-12-27 | Release date: | 2019-12-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Calcium sensing via EF-hand 4 enables thioredoxin activity in the sensor-responder protein calredoxin in the green algaChlamydomonas reinhardtii. J.Biol.Chem., 295, 2020
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1H4T
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![BU of 1h4t by Molmil](/molmil-images/mine/1h4t) | |
5M80
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![BU of 5m80 by Molmil](/molmil-images/mine/5m80) | Translation initiation factor 4E in complex with (RP)-iPr-m7GppSpG mRNA 5' cap analog | Descriptor: | Eukaryotic translation initiation factor 4E, GLYCEROL, [[[(3~{a}~{R},4~{R},6~{R},6~{a}~{R})-4-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-7-ium-9-yl)-2,2-dimethyl-3~{a},4,6,6~{a}-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | Authors: | Warminski, M, Nowak, E, Kowalska, J, Jemielity, J, Nowotny, M. | Deposit date: | 2016-10-28 | Release date: | 2017-12-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Translation initiation factor 4E in complex with (RP)-iPr-m7GppSpG mRNA 5' cap analog To Be Published
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8QWS
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![BU of 8qws by Molmil](/molmil-images/mine/8qws) | Crystal structure of CotB2 variant V80L in complex with alendronate | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, ... | Authors: | Dimos, N, Himpich, S, Ringel, M, Driller, R, Major, D.T, Brueck, T, Loll, B. | Deposit date: | 2023-10-20 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of CotB2 variant V80L in complex with alendronate To Be Published
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6F7B
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![BU of 6f7b by Molmil](/molmil-images/mine/6f7b) | Crystal structure of the human Bub1 kinase domain in complex with BAY 1816032 | Descriptor: | 2-[3,5-bis(fluoranyl)-4-[[3-[5-methoxy-4-[(3-methoxypyridin-4-yl)amino]pyrimidin-2-yl]indazol-1-yl]methyl]phenoxy]ethanol, MAGNESIUM ION, Mitotic checkpoint serine/threonine-protein kinase BUB1 | Authors: | Holton, S.J, Siemeister, G, Mengel, A, Bone, W, Schroeder, J, Zitzmann-Kolbe, S, Briem, H, Fernandez-Montalvan, A, Prechtl, S, Moenning, U, von Ahsen, O, Johanssen, J, Cleve, A, Puetter, V, Hitchcock, M, von Nussbaum, F, Brands, M, Mumberg, D, Ziegelbauer, K. | Deposit date: | 2017-12-08 | Release date: | 2018-12-19 | Last modified: | 2021-05-05 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Inhibition of BUB1 Kinase by BAY 1816032 Sensitizes Tumor Cells toward Taxanes, ATR, and PARP InhibitorsIn VitroandIn Vivo. Clin.Cancer Res., 25, 2019
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5MPX
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![BU of 5mpx by Molmil](/molmil-images/mine/5mpx) | Crystal structure of Arabidopsis thaliana RNA editing factor MORF1, space group P2(1) | Descriptor: | Multiple organellar RNA editing factor 1, mitochondrial, SULFATE ION | Authors: | Haag, S, Schindler, M, Berndt, L, Brennicke, A, Takenaka, M, Weber, G. | Deposit date: | 2016-12-19 | Release date: | 2017-02-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.938 Å) | Cite: | Crystal structures of the Arabidopsis thaliana organellar RNA editing factors MORF1 and MORF9. Nucleic Acids Res., 45, 2017
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5M8Y
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![BU of 5m8y by Molmil](/molmil-images/mine/5m8y) | PCE reductive dehalogenase from S. multivorans in complex with 3-chlorophenol | Descriptor: | 3-CHLOROPHENOL, GLYCEROL, IRON/SULFUR CLUSTER, ... | Authors: | Kunze, C, Bommer, M, Hagen, W.R, Uksa, M, Dobbek, H, Schubert, T, Diekert, G. | Deposit date: | 2016-10-30 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.857 Å) | Cite: | Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer. Nat Commun, 8, 2017
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5MQL
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![BU of 5mql by Molmil](/molmil-images/mine/5mql) | Crystal structure of dCK mutant C3S in complex with masitinib and UDP | Descriptor: | 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, Deoxycytidine kinase, MAGNESIUM ION, ... | Authors: | Rebuffet, E, Hammam, K, Saez-Ayala, M, Gros, L, Lopez, S, Hajem, B, Humbert, M, Baudelet, E, Audebert, S, Betzi, S, Lugari, A, Combes, S, Pez, D, Letard, S, Mansfield, C, Moussy, A, de Sepulveda, P, Morelli, X, Dubreuil, P. | Deposit date: | 2016-12-20 | Release date: | 2017-11-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Dual protein kinase and nucleoside kinase modulators for rationally designed polypharmacology. Nat Commun, 8, 2017
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6OZY
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![BU of 6ozy by Molmil](/molmil-images/mine/6ozy) | Wild type GapR crystal structure 2 from C. crescentus | Descriptor: | CADMIUM ION, UPF0335 protein CC_3319 | Authors: | Tarry, M, Harmel, C, Taylor, J.A, Marczynski, G.T, Schmeing, T.M. | Deposit date: | 2019-05-16 | Release date: | 2019-11-27 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.014 Å) | Cite: | Structures of GapR reveal a central channel which could accommodate B-DNA. Sci Rep, 9, 2019
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7PWY
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![BU of 7pwy by Molmil](/molmil-images/mine/7pwy) | Structure of human dimeric ACMSD in complex with the inhibitor TES-1025 | Descriptor: | 2-[3-[(5-cyano-6-oxidanylidene-4-thiophen-2-yl-1H-pyrimidin-2-yl)sulfanylmethyl]phenyl]ethanoic acid, 2-amino-3-carboxymuconate-6-semialdehyde decarboxylase, POTASSIUM ION, ... | Authors: | Cianci, M, Giacche, N, Carotti, A, Liscio, P, Amici, A, Cialabrini, L, De Franco, F, Pellicciari, R, Raffaelli, N. | Deposit date: | 2021-10-07 | Release date: | 2022-04-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Basis of Human Dimeric alpha-Amino-beta-Carboxymuconate-epsilon-Semialdehyde Decarboxylase Inhibition With TES-1025. Front Mol Biosci, 9, 2022
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5MQY
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![BU of 5mqy by Molmil](/molmil-images/mine/5mqy) | CATHEPSIN L IN COMPLEX WITH 4-[1,3-benzodioxol-5-ylmethyl(2-phenoxyethyl)amino]-5-fluoropyrimidine-2-carbonitrile | Descriptor: | 1,2-ETHANEDIOL, 4-[1,3-benzodioxol-5-ylmethyl(2-phenoxyethyl)amino]-5-fluoropyrimidine-2-carbonitrile, Cathepsin L1 | Authors: | Kuglstatter, A, Stihle, M, Benz, J. | Deposit date: | 2016-12-21 | Release date: | 2017-03-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Prospective Evaluation of Free Energy Calculations for the Prioritization of Cathepsin L Inhibitors. J. Med. Chem., 60, 2017
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5K3X
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![BU of 5k3x by Molmil](/molmil-images/mine/5k3x) | Crystal Structure of the sulfite dehydrogenase, SorT R78K mutant from Sinorhizobium meliloti | Descriptor: | (MOLYBDOPTERIN-S,S)-OXO-MOLYBDENUM, GLYCEROL, Putative sulfite oxidase | Authors: | Lee, M, McGrath, A, Maher, M. | Deposit date: | 2016-05-20 | Release date: | 2017-05-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The central active site arginine in sulfite oxidizing enzymes alters kinetic properties by controlling electron transfer and redox interactions. Biochim. Biophys. Acta, 1859, 2017
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6FCO
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![BU of 6fco by Molmil](/molmil-images/mine/6fco) | Structural and functional characterisation of Frataxin (FXN) like protein from Chaetomium thermophilum | Descriptor: | MALONIC ACID, Mitochondrial frataxin-like protein | Authors: | Jamshidiha, M, Rasheed, M, Pastore, A, Cota, E. | Deposit date: | 2017-12-20 | Release date: | 2019-01-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Structural and functional characterization of a frataxin from a thermophilic organism. FEBS J., 286, 2019
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1HFK
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![BU of 1hfk by Molmil](/molmil-images/mine/1hfk) | Asparaginase from Erwinia chrysanthemi, hexagonal form with weak sulfate | Descriptor: | L-ASPARAGINE AMIDOHYDROLASE, SULFATE ION | Authors: | Lubkowski, J, Palm, G.J, Kozak, M, Jaskolski, M, Wlodawer, A. | Deposit date: | 2000-12-05 | Release date: | 2000-12-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Structures of Two Highly Homologous Bacterial L-Asparaginases: A Case of Enantiomorphic Space Groups Acta Crystallogr.,Sect.D, 57, 2001
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5MFX
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![BU of 5mfx by Molmil](/molmil-images/mine/5mfx) | Zika NS3 helicase:RNA complex | Descriptor: | ACETATE ION, CITRATE ANION, Genome polyprotein, ... | Authors: | Jenkins, H.T, Ge, M, Chechik, M, Greive, S.J, Antson, A.A. | Deposit date: | 2016-11-18 | Release date: | 2017-01-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.598 Å) | Cite: | How Zika virus NS3 helicase grips the first
nucleotide of the leading RNA strand To Be Published
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5XM2
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![BU of 5xm2 by Molmil](/molmil-images/mine/5xm2) | Human N-terminal domain of FACT complex subunit SPT16 | Descriptor: | DI(HYDROXYETHYL)ETHER, FACT complex subunit SPT16, GLYCEROL | Authors: | Xu, S, Li, H, Dou, Y, Chen, Y, Jiang, H, Lu, D, Wang, M, Su, D. | Deposit date: | 2017-05-12 | Release date: | 2018-05-16 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.187 Å) | Cite: | The structural basis of human Spt16 N-terminal domain interaction with histone (H3-H4)2tetramer. Biochem.Biophys.Res.Commun., 508, 2019
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