4F2C
 
 | | The Crystal Structure of a Human MitoNEET double mutant in which Gly 66 are Asp 67 are both Replaced with Ala Residues | | Descriptor: | CDGSH iron-sulfur domain-containing protein 1, FE2/S2 (INORGANIC) CLUSTER | | Authors: | Baxter, E.L, Zuris, J.A, Wang, C, Axelrod, H.L, Cohen, A.E, Paddock, M.L, Nechushtai, R, Onuchic, J.N, Jennings, P.A. | | Deposit date: | 2012-05-07 | | Release date: | 2012-12-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Allosteric control in a metalloprotein dramatically alters function.
Proc.Natl.Acad.Sci.USA, 110, 2013
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2NZC
 | | The structure of uncharacterized protein TM1266 from Thermotoga maritima. | | Descriptor: | ACETIC ACID, GLYCEROL, Hypothetical protein, ... | | Authors: | Cuff, M.E, Evdokimova, E, Kudritska, M, Edwards, A, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2006-11-22 | | Release date: | 2006-12-19 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The structure of uncharacterized protein TM1266 from Thermotoga maritima.
TO BE PUBLISHED
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2Y56
 | | Fragment growing induces conformational changes in acetylcholine- binding protein: A structural and thermodynamic analysis - (Compound 3) | | Descriptor: | CHLORIDE ION, GLYCEROL, SOLUBLE ACETYLCHOLINE RECEPTOR, ... | | Authors: | Rucktooa, P, Edink, E, deEsch, I.J.P, Sixma, T.K. | | Deposit date: | 2011-01-12 | | Release date: | 2011-06-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.59 Å) | | Cite: | Fragment Growing Induces Conformational Changes in Acetylcholine-Binding Protein: A Structural and Thermodynamic Analysis.
J.Am.Chem.Soc., 133, 2011
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8CMV
 | | Engineered PETase enzyme from LCC - C09 mutant | | Descriptor: | GLYCEROL, ISOPROPYL ALCOHOL, Leaf-branch compost cutinase | | Authors: | Bhattacharya, S, Estiri, H, Castagna, R, Parisini, E. | | Deposit date: | 2023-02-21 | | Release date: | 2024-03-06 | | Last modified: | 2024-09-25 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Development of a highly active engineered PETase enzyme for polyester degradation
Biorxiv, 2024
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8CMZ
 | | Crystal structure of CREBBP-R1446C histone acetyltransferase domain in complex with Coenzyme A | | Descriptor: | COENZYME A, ZINC ION, histone acetyltransferase | | Authors: | Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F. | | Deposit date: | 2023-02-21 | | Release date: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.252 Å) | | Cite: | Crystal structure of CREBBP-R1446C histone acetyltransferase domain in complex with Coenzyme A
To Be Published
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8CN0
 | | Crystal structure of CREBBP-Y1482N histone acetyltransferase domain in complex with Coenzyme A | | Descriptor: | COENZYME A, ZINC ION, histone acetyltransferase | | Authors: | Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F. | | Deposit date: | 2023-02-21 | | Release date: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Crystal structure of CREBBP-Y1482N histone acetyltransferase domain in complex with Coenzyme A
To Be Published
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8CNA
 | | Crystal structure of CREBBP-R1446C histone acetyltransferase domain in complex with a bisubstrate inhibitor, Lys-CoA | | Descriptor: | ZINC ION, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R,20R)-20-carbamoyl-3-hydroxy-2,2-dimethyl-4,8,14,22-tetraoxo-12-thia-5,9,15,21-tetraazatricos-1-yl dihydrogen diphosphate, histone acetyltransferase | | Authors: | Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F. | | Deposit date: | 2023-02-22 | | Release date: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.463 Å) | | Cite: | Crystal structure of CREBBP-R1446C histone acetyltransferase domain in complex with a bisubstrate inhibitor, Lys-CoA
To Be Published
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8CND
 | | Crystal structure of CREBBP-Y1482N histone acetyltransferase domain in complex with a bisubstrate inhibitor, Lys-CoA | | Descriptor: | ZINC ION, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R,20R)-20-carbamoyl-3-hydroxy-2,2-dimethyl-4,8,14,22-tetraoxo-12-thia-5,9,15,21-tetraazatricos-1-yl dihydrogen diphosphate, histone acetyltransferase | | Authors: | Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F. | | Deposit date: | 2023-02-22 | | Release date: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.972 Å) | | Cite: | Crystal structure of CREBBP-Y1482N histone acetyltransferase domain in complex with a bisubstrate inhibitor, Lys-CoA
To Be Published
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8CNB
 | | Crystal structure of CREBBP-Y1503C histone acetyltransferase domain in complex with Coenzyme A | | Descriptor: | COENZYME A, ZINC ION, histone acetyltransferase | | Authors: | Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F. | | Deposit date: | 2023-02-22 | | Release date: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.986 Å) | | Cite: | Crystal structure of CREBBP-Y1503C histone acetyltransferase domain in complex with Coenzyme A
To Be Published
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8OHI
 | | Structure of the Fmoc-Tau-PAM4 Type 2 amyloid fibril | | Descriptor: | Microtubule-associated protein tau | | Authors: | Wilkinson, M, Louros, N, Tsaka, G, Ramakers, M, Morelli, C, Garcia, T, Gallardo, R.U, D'Haeyer, S, Goossens, V, Audenaert, D, Thal, D.R, Ranson, N.A, Radford, S.E, Rousseau, F, Schymkowitz, J. | | Deposit date: | 2023-03-21 | | Release date: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Local structural preferences in shaping tau amyloid polymorphism.
Nat Commun, 15, 2024
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1JAW
 | | AMINOPEPTIDASE P FROM E. COLI LOW PH FORM | | Descriptor: | ACETATE ION, AMINOPEPTIDASE P, MANGANESE (II) ION | | Authors: | Wilce, M.C.J, Bond, C.S, Lilley, P.E, Dixon, N.E, Freeman, H.C, Guss, J.M. | | Deposit date: | 1997-12-22 | | Release date: | 1999-04-06 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure and mechanism of a proline-specific aminopeptidase from Escherichia coli.
Proc.Natl.Acad.Sci.USA, 95, 1998
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8OHP
 | | Structure of the Fmoc-Tau-PAM4 Type 3 amyloid fibril | | Descriptor: | Microtubule-associated protein tau | | Authors: | Wilkinson, M, Louros, N, Tsaka, G, Ramakers, M, Morelli, C, Garcia, T, Gallardo, R.U, D'Haeyer, S, Goossens, V, Audenaert, D, Thal, D.R, Ranson, N.A, Radford, S.E, Rousseau, F, Schymkowitz, J. | | Deposit date: | 2023-03-21 | | Release date: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Local structural preferences in shaping tau amyloid polymorphism.
Nat Commun, 15, 2024
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8OI0
 | | Structure of the Fmoc-Tau-PAM4 Type 4 amyloid fibril | | Descriptor: | Microtubule-associated protein tau | | Authors: | Wilkinson, M, Louros, N, Tsaka, G, Ramakers, M, Morelli, C, Garcia, T, Gallardo, R.U, D'Haeyer, S, Goossens, V, Audenaert, D, Thal, D.R, Ranson, N.A, Radford, S.E, Rousseau, F, Schymkowitz, J. | | Deposit date: | 2023-03-21 | | Release date: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Local structural preferences in shaping tau amyloid polymorphism.
Nat Commun, 15, 2024
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1GFZ
 | | FLAVOPIRIDOL INHIBITS GLYCOGEN PHOSPHORYLASE BY BINDING AT THE INHIBITOR SITE | | Descriptor: | CAFFEINE, GLYCOGEN PHOSPHORYLASE, INOSINIC ACID, ... | | Authors: | Oikonomakos, N.G, Zographos, S.E, Skamnaki, V.T, Tsitsanou, K.E, Johnson, L.N. | | Deposit date: | 2000-06-29 | | Release date: | 2000-07-26 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Flavopiridol inhibits glycogen phosphorylase by binding at the inhibitor site.
J.Biol.Chem., 275, 2000
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3EZ5
 | | Cocrystal structure of Bacillus fragment DNA polymerase I with duplex DNA , dCTP, and zinc (closed form). | | Descriptor: | 2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATE, 5'-D(*DAP*DTP*DTP*DCP*DGP*DAP*DGP*DTP*DCP*DAP*DGP*DG)-3', 5'-D(*DCP*DCP*DTP*DGP*DAP*DCP*DTP*DCP*DG)-3', ... | | Authors: | Warren, J.J, Wu, E.Y, Golosov, A.A, Karplus, M, Beese, L.S. | | Deposit date: | 2008-10-22 | | Release date: | 2009-11-10 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Mechanism of the Translocation Step in DNA Replication by DNA Polymerase I: A Computer Simulation Analysis.
Structure, 18, 2010
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6FUJ
 | | Complement factor D in complex with the inhibitor N-(3'-(aminomethyl)-[1,1'-biphenyl]-3-yl)-3-methylbutanamide | | Descriptor: | Complement factor D, ~{N}-[3-[3-(aminomethyl)phenyl]phenyl]-3-methyl-butanamide | | Authors: | Mac Sweeney, A, Ostermann, N, Vulpetti, A, Maibaum, J, Erbel, P, Lorthiois, E, Yoon, T, Randl, S, Ruedisser, S. | | Deposit date: | 2018-02-27 | | Release date: | 2018-06-06 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Discovery and Design of First Benzylamine-Based Ligands Binding to an Unlocked Conformation of the Complement Factor D.
ACS Med Chem Lett, 9, 2018
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3HWS
 | | Crystal structure of nucleotide-bound hexameric ClpX | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent Clp protease ATP-binding subunit clpX, MAGNESIUM ION, ... | | Authors: | Glynn, S.E, Martin, A, Baker, T.A, Sauer, R.T. | | Deposit date: | 2009-06-18 | | Release date: | 2009-11-24 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Structures of asymmetric ClpX hexamers reveal nucleotide-dependent motions in a AAA+ protein-unfolding machine.
Cell(Cambridge,Mass.), 139, 2009
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5D69
 | | Human calpain PEF(S) with (2Z,2Z')-2,2'-disulfanediylbis(3-(6-iodoindol-3-yl)acrylic acid) bound | | Descriptor: | (2E,2'Z)-2,2'-disulfanediylbis[3-(4-iodophenyl)prop-2-enoic acid], CALCIUM ION, Calpain small subunit 1, ... | | Authors: | Adams, S.E, Robinson, E.J, Rizkallah, P.J, Miller, D.J, Hallett, M.B, Allemann, R.K. | | Deposit date: | 2015-08-11 | | Release date: | 2015-09-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Conformationally restricted calpain inhibitors.
Chem Sci, 6, 2015
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6S6Z
 | | Structure of beta-Galactosidase from Thermotoga maritima | | Descriptor: | Beta-galactosidase, MAGNESIUM ION | | Authors: | Miguez-Amil, S, Jimenez-Ortega, E, Ramirez Escudero, M, Sanz-Aparicio, J, Fernandez-Leiro, R. | | Deposit date: | 2019-07-04 | | Release date: | 2020-03-18 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2 Å) | | Cite: | The cryo-EM Structure ofThermotoga maritimabeta-Galactosidase: Quaternary Structure Guides Protein Engineering.
Acs Chem.Biol., 15, 2020
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6OEZ
 | | Crystal structure of Trypanothione Reductase from Trypanosoma brucei in complex with inhibitor (+)-N-(Cyclobutylmethyl)-3-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-2-(1-{[(2S)-pyrro-lidin-2-yl]methyl}-1H-indol-5-yl)-1,3-thiazol-4-yl}prop-2-yn-1-amine | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, N-(cyclobutylmethyl)-3-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-2-(1-{[(2S)-pyrrolidin-2-yl]methyl}-1H-indol-5-yl)-1,3-thiazol-4-yl}prop-2-yn-1-amine, ... | | Authors: | Halgas, O, De Gasparo, R, Harangozo, D, Krauth-Siegel, R.L, Diederich, F, Pai, E.F. | | Deposit date: | 2019-03-28 | | Release date: | 2019-07-31 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Targeting a Large Active Site: Structure-Based Design of Nanomolar Inhibitors of Trypanosoma brucei Trypanothione Reductase.
Chemistry, 25, 2019
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4FEM
 | | Structure of SusE with alpha-cyclodextrin | | Descriptor: | 1,2-ETHANEDIOL, Cyclohexakis-(1-4)-(alpha-D-glucopyranose), Outer membrane protein SusE | | Authors: | Koropatkin, N.M, Cameron, E.A, Martens, E.C. | | Deposit date: | 2012-05-30 | | Release date: | 2012-08-29 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Multidomain Carbohydrate-binding Proteins Involved in Bacteroides thetaiotaomicron Starch Metabolism.
J.Biol.Chem., 287, 2012
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6YU8
 | | RNA Methyltransferase of Sudan Ebola Virus | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Ferron, F, Valle, C, Zamboni, V, Canard, B, Decroly, E. | | Deposit date: | 2020-04-25 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.841 Å) | | Cite: | First insights into the structural features of Ebola virus methyltransferase activities.
Nucleic Acids Res., 49, 2021
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6OG1
 | | Focus classification structure of the hyperactive ClpB mutant K476C, bound to casein, pre-state | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Hyperactive disaggregase ClpB, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | | Authors: | Rizo, A.R, Lin, J.-B, Gates, S.N, Tse, E, Bart, S.M, Castellano, L.M, Dimaio, F, Shorter, J, Southworth, D.R. | | Deposit date: | 2019-04-01 | | Release date: | 2019-06-12 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural basis for substrate gripping and translocation by the ClpB AAA+ disaggregase.
Nat Commun, 10, 2019
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8PVM
 | | formaldehyde-inhibited [FeFe]-hydrogenase CpI from Clostridium pasteurianum, variant C299D | | Descriptor: | CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, FORMYL GROUP, ... | | Authors: | Duan, J, Hofmann, E, Happe, T. | | Deposit date: | 2023-07-18 | | Release date: | 2023-11-29 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Insights into the Molecular Mechanism of Formaldehyde Inhibition of [FeFe]-Hydrogenases.
J.Am.Chem.Soc., 145, 2023
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4FCF
 | | K234R: apo structure of inhibitor resistant beta-lactamase | | Descriptor: | 2-AMINOETHANESULFONIC ACID, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE | | Authors: | Rodkey, E.A, van den Akker, F. | | Deposit date: | 2012-05-24 | | Release date: | 2012-12-26 | | Last modified: | 2013-10-02 | | Method: | X-RAY DIFFRACTION (1.09 Å) | | Cite: | Design and exploration of novel boronic acid inhibitors reveals important interactions with a clavulanic acid-resistant sulfhydryl-variable (SHV) beta-lactamase.
J.Med.Chem., 56, 2013
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