6TLM
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![BU of 6tlm by Molmil](/molmil-images/mine/6tlm) | ROR(gamma)t ligand binding domain in complex with allosteric ligand compound 13 (Glenmark) | Descriptor: | 4-[1-[2,6-bis(chloranyl)phenyl]carbonyl-5-methyl-thieno[3,2-c]pyrazol-3-yl]benzoic acid, Nuclear receptor ROR-gamma | Authors: | de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L. | Deposit date: | 2019-12-03 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.321 Å) | Cite: | Elucidation of an Allosteric Mode of Action for a Thienopyrazole ROR gamma t Inverse Agonist. Chemmedchem, 15, 2020
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6QL0
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5LUR
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![BU of 5lur by Molmil](/molmil-images/mine/5lur) | An avidin mutant | Descriptor: | Avidin, CHLORIDE ION, PROGESTERONE | Authors: | Agrawal, N, Lehtonen, S.I, Riihimaki, T.A, Kulomaa, M.S, Hytonen, V.P, Johnson, M.S, Airenne, T.T. | Deposit date: | 2016-09-09 | Release date: | 2017-09-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | An avidin mutant TO BE PUBLISHED
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7SUE
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![BU of 7sue by Molmil](/molmil-images/mine/7sue) | Crystal Structure of Human Fab S24-188 in the complex with the N-teminal Domain of Nucleocapsid protein from SARS CoV-2 | Descriptor: | Nucleoprotein, S24-188 Fab Heavy chain, S24-188 Fab Light chain | Authors: | Kim, Y, Maltseva, N, Tesar, C, Jedrzejczak, R, Dugan, H, Stamper, C, Wilson, P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-11-17 | Release date: | 2022-08-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Epitopes recognition of SARS-CoV-2 nucleocapsid RNA binding domain by human monoclonal antibodies. Iscience, 27, 2024
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6DGK
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8ILL
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![BU of 8ill by Molmil](/molmil-images/mine/8ill) | Crystal structure of a highly photostable and bright green fluorescent protein at pH5.6 | Descriptor: | CHLORIDE ION, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose, green fluorescent protein | Authors: | Ago, H, Ando, R, Hirano, M, Shimozono, S, Miyawaki, A, Yamamoto, M. | Deposit date: | 2023-03-03 | Release date: | 2023-10-04 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | StayGold variants for molecular fusion and membrane-targeting applications. Nat.Methods, 21, 2024
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8EHO
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![BU of 8eho by Molmil](/molmil-images/mine/8eho) | PRRSV-1 PLP2 domain bound to ubiquitin | Descriptor: | 3-AMINOPROPANE, GLYCEROL, NITRATE ION, ... | Authors: | Bailey-Elkin, B.A, Mark, B.L. | Deposit date: | 2022-09-14 | Release date: | 2023-12-06 | Last modified: | 2024-01-03 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Demonstrating the importance of porcine reproductive and respiratory syndrome virus papain-like protease 2 deubiquitinating activity in viral replication by structure-guided mutagenesis. Plos Pathog., 19, 2023
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6DHX
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6X1W
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![BU of 6x1w by Molmil](/molmil-images/mine/6x1w) | Structure of pHis Fab (SC56-2) in complex with pHis mimetic peptide | Descriptor: | ACLYana-3-pTza peptide, SC56-2 Heavy chain, SC56-2 Light chain | Authors: | Kalagiri, R, Stanfield, R, Wilson, I.A, Hunter, T. | Deposit date: | 2020-05-19 | Release date: | 2021-02-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural basis for differential recognition of phosphohistidine-containing peptides by 1-pHis and 3-pHis monoclonal antibodies. Proc.Natl.Acad.Sci.USA, 118, 2021
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8CDC
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![BU of 8cdc by Molmil](/molmil-images/mine/8cdc) | Native 3CLpro from SARS-CoV-2 at 1.54 A | Descriptor: | 3C-like proteinase | Authors: | Mazzei, L, Jovanovic, A, Acton, T.B, Ciurli, S, Montelione, G.T. | Deposit date: | 2023-01-30 | Release date: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Expression, purification, and characterization of SARS-CoV2 3CLpro in a mature form To Be Published
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4QJM
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![BU of 4qjm by Molmil](/molmil-images/mine/4qjm) | Crystal structure of human carbonic anhydrase isozyme II with inhibitor | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(benzylamino)-2,5,6-trifluoro-4-[(2-phenylethyl)sulfonyl]benzenesulfonamide, BICINE, ... | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2014-06-04 | Release date: | 2015-04-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Functionalization of Fluorinated Benzenesulfonamides and Their Inhibitory Properties toward Carbonic Anhydrases Chemmedchem, 10, 2015
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7PK0
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5WBC
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![BU of 5wbc by Molmil](/molmil-images/mine/5wbc) | Designed Artificial Cupredoxins - WT | Descriptor: | ACETATE ION, GLYCEROL, Streptavidin, ... | Authors: | Mann, S.I, Heinisch, T, Weitz, A.C, Hendrich, M.R, Ward, T.R, Borovik, A.S. | Deposit date: | 2017-06-28 | Release date: | 2017-08-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Modular Artificial Cupredoxins. J. Am. Chem. Soc., 138, 2016
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6QLH
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![BU of 6qlh by Molmil](/molmil-images/mine/6qlh) | Crystal structure of UbiX in complex with reduced FMN and isopentyl monophosphate | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, Flavin prenyltransferase UbiX, Isopentenyl phosphate, ... | Authors: | Marshall, S.A, Leys, D. | Deposit date: | 2019-02-01 | Release date: | 2019-06-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | The UbiX flavin prenyltransferase reaction mechanism resembles class I terpene cyclase chemistry. Nat Commun, 10, 2019
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6QLI
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![BU of 6qli by Molmil](/molmil-images/mine/6qli) | Crystal structure of F181Q UbiX in complex with FMN and dimethylallyl monophosphate | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, Dimethylallyl monophosphate, Flavin prenyltransferase UbiX, ... | Authors: | Marshall, S.A, Leys, D. | Deposit date: | 2019-02-01 | Release date: | 2019-06-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | The UbiX flavin prenyltransferase reaction mechanism resembles class I terpene cyclase chemistry. Nat Commun, 10, 2019
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7SVV
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![BU of 7svv by Molmil](/molmil-images/mine/7svv) | TnsBctd-TnsC complex | Descriptor: | DNA (5'-D(P*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*A)-3'), DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), MAGNESIUM ION, ... | Authors: | Park, J, Tsai, A.W.T, Kellogg, E.H. | Deposit date: | 2021-11-19 | Release date: | 2022-08-10 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (3.54 Å) | Cite: | Mechanistic details of CRISPR-associated transposon recruitment and integration revealed by cryo-EM. Proc.Natl.Acad.Sci.USA, 119, 2022
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5W7D
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![BU of 5w7d by Molmil](/molmil-images/mine/5w7d) | Murine acyloxyacyl hydrolase (AOAH), S262A mutant | Descriptor: | 1,2-DISTEAROYL-SN-GLYCERO-3-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gorelik, A, Illes, K, Nagar, B. | Deposit date: | 2017-06-19 | Release date: | 2018-01-03 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structure of the mammalian lipopolysaccharide detoxifier. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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7Z65
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![BU of 7z65 by Molmil](/molmil-images/mine/7z65) | A GH18 from haloalkaliphilic bacterium unveils environment-dependent variations in the catalytic machinery of chitinases | Descriptor: | 1,2-ETHANEDIOL, Chitinase, GH18 family | Authors: | Madhuprakash, J, Dalhus, B, Rohr, A.K, Bissaro, B, Vaaje-Kolstad, G, Sorlie, M, Eijsink, V.G. | Deposit date: | 2022-03-11 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.108 Å) | Cite: | A GH18 from haloalkaliphilic bacterium unveils environment-dependent variations in the catalytic machinery of chitinases To Be Published
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6TNF
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![BU of 6tnf by Molmil](/molmil-images/mine/6tnf) | Structure of monoubiquitinated FANCD2 in complex with FANCI and DNA | Descriptor: | DNA (33-MER), FANCD2, Fanconi anemia complementation group I, ... | Authors: | Alcon, P, Shakeel, S, Passmore, L.A. | Deposit date: | 2019-12-07 | Release date: | 2020-02-19 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | FANCD2-FANCI is a clamp stabilized on DNA by monoubiquitination of FANCD2 during DNA repair. Nat.Struct.Mol.Biol., 27, 2020
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7Z64
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![BU of 7z64 by Molmil](/molmil-images/mine/7z64) | A GH18 from haloalkaliphilic bacterium unveils environment-dependent variations in the catalytic machinery of chitinases | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase, ... | Authors: | Madhuprakash, J, Dalhus, B, Rohr, A.K, Bissaro, B, Vaaje-Kolstad, G, Sorlie, M, Eijsink, V.G. | Deposit date: | 2022-03-10 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | A GH18 from haloalkaliphilic bacterium unveils environment-dependent variations in the catalytic machinery of chitinases To Be Published
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5IE1
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![BU of 5ie1 by Molmil](/molmil-images/mine/5ie1) | Crystal structure of BACE1 in complex with 3-(2-amino-6-(o-tolyl)quinolin-3-yl)-N-(3,3-dimethylbutyl)propanamide | Descriptor: | 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)propanamide, Beta-secretase 1, GLYCEROL, ... | Authors: | Jordan, J.B, Whittington, D.A, Bartberger, M.D, Sickmier, E.A, Chen, K, Cheng, Y, Judd, T. | Deposit date: | 2016-02-24 | Release date: | 2016-03-30 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.298 Å) | Cite: | Fragment-Linking Approach Using (19)F NMR Spectroscopy To Obtain Highly Potent and Selective Inhibitors of beta-Secretase. J.Med.Chem., 59, 2016
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8P4P
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![BU of 8p4p by Molmil](/molmil-images/mine/8p4p) | Structure average of GroEL14 complexes found in the cytosol of Escherichia coli overexpressing GroEL obtained by cryo electron tomography | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Chaperonin GroEL, ... | Authors: | Wagner, J, Caravajal, A.I, Beck, F, Bracher, A, Wan, W, Bohn, S, Koerner, R, Baumeister, W, Fernandez-Busnadiego, R, Hartl, F.U. | Deposit date: | 2023-05-23 | Release date: | 2024-07-03 | Last modified: | 2024-09-04 | Method: | ELECTRON MICROSCOPY (9.6 Å) | Cite: | Visualizing chaperonin function in situ by cryo-electron tomography. Nature, 2024
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8CKM
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![BU of 8ckm by Molmil](/molmil-images/mine/8ckm) | Semaphorin-5A TSR 3-4 domains | Descriptor: | Semaphorin-5A | Authors: | Nagy, G.N, Duman, R, Harlos, K, El Omari, K, Wagner, A, Jones, E.Y. | Deposit date: | 2023-02-15 | Release date: | 2024-02-28 | Last modified: | 2024-09-11 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Structure and function of Semaphorin-5A glycosaminoglycan interactions. Nat Commun, 15, 2024
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7SP2
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![BU of 7sp2 by Molmil](/molmil-images/mine/7sp2) | Structure of PLS A-domain (residues 391-656; 513-518 deletion mutant) from Staphylococcus aureus | Descriptor: | CALCIUM ION, Plasmin Sensitive Protein Pls | Authors: | Clark, L, Whelan, F, Atkin, K.E, Brentnall, A.S, Dodson, E.J, Turkenburg, J.P, Potts, J.R. | Deposit date: | 2021-11-02 | Release date: | 2022-11-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structure of PLS A-domain (residues 391-65) from Staphylococcus aureus Not Published
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6WFS
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![BU of 6wfs by Molmil](/molmil-images/mine/6wfs) | Cryo-EM Structure of Hepatitis B virus T=4 capsid in complex with the antiviral molecule DBT1 | Descriptor: | 11-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide, Capsid protein | Authors: | Schlicksup, C, Laughlin, P, Dunkelbarger, S, Wang, J.C, Zlotnick, A. | Deposit date: | 2020-04-03 | Release date: | 2020-06-03 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4.6 Å) | Cite: | Local Stabilization of Subunit-Subunit Contacts Causes Global Destabilization of Hepatitis B Virus Capsids. Acs Chem.Biol., 15, 2020
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