7N2T
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![BU of 7n2t by Molmil](/molmil-images/mine/7n2t) | O-acetylserine sulfhydrylase from Citrullus vulgaris in the internal aldimine state, with citrate bound | Descriptor: | CITRIC ACID, Cysteine synthase, PENTAETHYLENE GLYCOL, ... | Authors: | Smith, J.L, Buller, A.R, Bingman, C.A. | Deposit date: | 2021-05-29 | Release date: | 2022-07-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Investigation of beta-Substitution Activity of O-Acetylserine Sulfhydrolase from Citrullus vulgaris. Chembiochem, 23, 2022
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7N3Z
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![BU of 7n3z by Molmil](/molmil-images/mine/7n3z) | Crystal Structure of Saccharomyces cerevisiae Apn2 Catalytic Domain | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DNA-(apurinic or apyrimidinic site) endonuclease 2, ... | Authors: | Wojtaszek, J.L, Wallace, B.D, Williams, R.S. | Deposit date: | 2021-06-02 | Release date: | 2022-09-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Molecular basis for processing of topoisomerase 1-triggered DNA damage by Apn2/APE2. Cell Rep, 41, 2022
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7N3Y
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![BU of 7n3y by Molmil](/molmil-images/mine/7n3y) | Crystal Structure of Saccharomyces cerevisiae Apn2 Catalytic Domain E59Q/D222N Mutant in Complex with DNA | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CITRIC ACID, ... | Authors: | Wojtaszek, J.L, Krahn, J, Wallace, B.D, Williams, R.S. | Deposit date: | 2021-06-02 | Release date: | 2022-09-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Molecular basis for processing of topoisomerase 1-triggered DNA damage by Apn2/APE2. Cell Rep, 41, 2022
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5G5D
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![BU of 5g5d by Molmil](/molmil-images/mine/5g5d) | Crystal Structure of the CohScaC2-XDocCipA type II complex from Clostridium thermocellum | Descriptor: | CALCIUM ION, CELLULOSOMAL-SCAFFOLDING PROTEIN A, CELLULOSOME ANCHORING PROTEIN COHESIN REGION | Authors: | Carvalho, A.L, A Bras, J.L, Najmudin, S.H, Pinheiro, B.A, Fontes, C.M.G.A. | Deposit date: | 2016-05-23 | Release date: | 2017-04-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Diverse specificity of cellulosome attachment to the bacterial cell surface. Sci Rep, 6, 2016
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5J6A
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![BU of 5j6a by Molmil](/molmil-images/mine/5j6a) | Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PS46 | Descriptor: | (3S)-3-amino-4-[4-({2-[(2,4-dihydroxyphenyl)sulfonyl]-2H-isoindol-5-yl}amino)piperidin-1-yl]-4-oxobutanamide, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial | Authors: | Gui, W.J, Tso, S.C, Chuang, J.L, Wu, C.Y, Qi, X, Wynn, R.M, Chuang, D.T. | Deposit date: | 2016-04-04 | Release date: | 2017-01-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.045 Å) | Cite: | Development of Dihydroxyphenyl Sulfonylisoindoline Derivatives as Liver-Targeting Pyruvate Dehydrogenase Kinase Inhibitors. J. Med. Chem., 60, 2017
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3G43
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![BU of 3g43 by Molmil](/molmil-images/mine/3g43) | |
1JR5
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![BU of 1jr5 by Molmil](/molmil-images/mine/1jr5) | Solution Structure of the Anti-Sigma Factor AsiA Homodimer | Descriptor: | 10 KDA Anti-Sigma Factor | Authors: | Urbauer, J.L, Simeonov, M.F, Bieber Urbauer, R.J, Adelman, K, Gilmore, J.M, Brody, E.N. | Deposit date: | 2001-08-10 | Release date: | 2002-02-20 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure and stability of the anti-sigma factor AsiA: implications for novel functions. Proc.Natl.Acad.Sci.USA, 99, 2002
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4M83
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![BU of 4m83 by Molmil](/molmil-images/mine/4m83) | Ensemble refinement of protein crystal structure (2IYF) of macrolide glycosyltransferases OleD complexed with UDP and Erythromycin A | Descriptor: | ERYTHROMYCIN A, MAGNESIUM ION, Oleandomycin glycosyltransferase, ... | Authors: | Wang, F, Helmich, K.E, Xu, W, Singh, S, Olmos Jr, J.L, Martinez iii, E, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2013-08-12 | Release date: | 2013-09-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.698 Å) | Cite: | Crystal structure of macrolide glycosyltransferases OleD To be Published
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3BCI
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![BU of 3bci by Molmil](/molmil-images/mine/3bci) | |
3BXS
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![BU of 3bxs by Molmil](/molmil-images/mine/3bxs) | Crystal Structures Of Highly Constrained Substrate And Hydrolysis Products Bound To HIV-1 Protease. Implications For Catalytic Mechanism | Descriptor: | (9S,12S)-9-(1-methylethyl)-7,10-dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-1(16),14,17-triene-12-carboxylic acid, Protease, SULFATE ION | Authors: | Tyndall, J.D, Pattenden, L.K, Reid, R.C, Hu, S.H, Alewood, D, Alewood, P.F, Walsh, T, Fairlie, D.P, Martin, J.L. | Deposit date: | 2008-01-14 | Release date: | 2008-03-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal Structures of Highly Constrained Substrate and Hydrolysis Products Bound to HIV-1 Protease. Implications for the Catalytic Mechanism Biochemistry, 47, 2008
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6EHO
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![BU of 6eho by Molmil](/molmil-images/mine/6eho) | Dimer of the Sortilin Vps10p domain at low pH | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sortilin, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Thirup, S.S, Quistgaard, E.H, Januliene, D, Andersen, J.L, Nielsen, J.A. | Deposit date: | 2017-09-14 | Release date: | 2017-12-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Acidic Environment Induces Dimerization and Ligand Binding Site Collapse in the Vps10p Domain of Sortilin. Structure, 25, 2017
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3UX3
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![BU of 3ux3 by Molmil](/molmil-images/mine/3ux3) | Crystal Structure of Domain-Swapped Fam96a minor dimer | Descriptor: | ACETATE ION, MIP18 family protein FAM96A, ZINC ION | Authors: | Chen, K.-E, Kobe, B, Martin, J.L. | Deposit date: | 2011-12-03 | Release date: | 2012-05-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The mammalian DUF59 protein Fam96a forms two distinct types of domain-swapped dimer. Acta Crystallogr.,Sect.D, 68, 2012
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6EEG
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![BU of 6eeg by Molmil](/molmil-images/mine/6eeg) | |
6EEK
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![BU of 6eek by Molmil](/molmil-images/mine/6eek) | |
6EJI
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![BU of 6eji by Molmil](/molmil-images/mine/6eji) | Structure of a glycosyltransferase | Descriptor: | CHLORIDE ION, GLYCEROL, POTASSIUM ION, ... | Authors: | Ramirez, A.S, Boilevin, J, Mehdipour, A.R, Hummer, G, Darbre, T, Reymond, J.L, Locher, K.P. | Deposit date: | 2017-09-21 | Release date: | 2018-02-07 | Last modified: | 2018-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis of the molecular ruler mechanism of a bacterial glycosyltransferase. Nat Commun, 9, 2018
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6ECV
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![BU of 6ecv by Molmil](/molmil-images/mine/6ecv) | StiD O-MT residues 976-1266 | Descriptor: | CHLORIDE ION, S-ADENOSYL-L-HOMOCYSTEINE, StiD protein | Authors: | Skiba, M.A, Bivins, M.M, Smith, J.L. | Deposit date: | 2018-08-08 | Release date: | 2018-12-12 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.798 Å) | Cite: | Structural Basis of Polyketide Synthase O-Methylation. ACS Chem. Biol., 13, 2018
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6ECT
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![BU of 6ect by Molmil](/molmil-images/mine/6ect) | StiE O-MT residues 961-1257 | Descriptor: | S-ADENOSYLMETHIONINE, StiE protein | Authors: | Skiba, M.A, Bivins, M.M, Smith, J.L. | Deposit date: | 2018-08-08 | Release date: | 2018-12-12 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Structural Basis of Polyketide Synthase O-Methylation. ACS Chem. Biol., 13, 2018
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3UX2
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![BU of 3ux2 by Molmil](/molmil-images/mine/3ux2) | |
6ERD
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![BU of 6erd by Molmil](/molmil-images/mine/6erd) | Crystal structure of a putative acetyltransferase from Bacillus cereus species. | Descriptor: | Aminoglycoside N6'-acetyltransferase, CHLORIDE ION, GLYCEROL | Authors: | Silvestre, H.L, Bolanos-Garcia, V.M, Asensio, J.L, Blundell, T.L, Bastida, A. | Deposit date: | 2017-10-18 | Release date: | 2018-09-26 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Functional and structural characterisation of RimL from Bacillus cereus, a new N alpha-acetyltransferase of ribosomal proteins that was wrongly assigned as an aminoglycosyltransferase. Int.J.Biol.Macromol., 263, 2024
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6E69
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![BU of 6e69 by Molmil](/molmil-images/mine/6e69) | Ortho-substituted phenyl sulfonyl fluoride and fluorosulfate as potent elastase inhibitory fragments | Descriptor: | 2-(fluorosulfonyl)benzene-1-sulfonic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wolan, D.W, Woehl, J.L, Kitamura, S. | Deposit date: | 2018-07-24 | Release date: | 2019-07-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | SuFEx-enabled, agnostic discovery of covalent inhibitors of human neutrophil elastase. Proc.Natl.Acad.Sci.USA, 116, 2019
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3V8C
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![BU of 3v8c by Molmil](/molmil-images/mine/3v8c) | Crystal structure of monoclonal human anti-rhesus D Fc IgG1 t125(yb2/0) double mutant (H310 and H435 in K) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose, GLYCEROL, ... | Authors: | Menez, R, Stura, E.A, Bourel, D, Siberil, S, Jorieux, S, De Romeuf, C, Ducancel, F, Fridman, W.H, Teillaud, J.L. | Deposit date: | 2011-12-22 | Release date: | 2012-02-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Effect of zinc on human IgG1 and its Fc gamma R interactions. Immunol.Lett., 143, 2012
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3VAL
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![BU of 3val by Molmil](/molmil-images/mine/3val) | Structure of U2AF65 variant with BrU5C1 DNA | Descriptor: | 1,4-DIETHYLENE DIOXIDE, DNA (5'-D(*C*UP*UP*UP*(BRU)P*UP*U)-3'), SULFATE ION, ... | Authors: | Jenkins, J.L, Frato, K.H, Kielkopf, C.L. | Deposit date: | 2011-12-29 | Release date: | 2013-02-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | U2AF65 adapts to diverse pre-mRNA splice sites through conformational selection of specific and promiscuous RNA recognition motifs. Nucleic Acids Res., 41, 2013
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3V95
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![BU of 3v95 by Molmil](/molmil-images/mine/3v95) | Crystal structure of monoclonal human anti-rhesus D Fc and IgG1 t125(yb2/0) in the presence of EDTA | Descriptor: | GLYCEROL, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Menez, R, A Stura, E, Bourel, D, Siberil, S, Jorieux, S, De Romeuf, C, Ducancel, F, Fridman, W.H, Teillaud, J.L. | Deposit date: | 2011-12-23 | Release date: | 2012-02-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Effect of zinc on human IgG1 and its Fc gamma R interactions. Immunol.Lett., 143, 2012
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6EQI
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![BU of 6eqi by Molmil](/molmil-images/mine/6eqi) | Structure of PINK1 bound to ubiquitin | Descriptor: | GLYCEROL, Nb696, Serine/threonine-protein kinase PINK1, ... | Authors: | Schubert, A.F, Gladkova, C, Pardon, E, Wagstaff, J.L, Freund, S.M.V, Steyaert, J, Maslen, S, Komander, D. | Deposit date: | 2017-10-13 | Release date: | 2017-11-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure of PINK1 in complex with its substrate ubiquitin. Nature, 552, 2017
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6EEZ
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![BU of 6eez by Molmil](/molmil-images/mine/6eez) | |