8SHH
 
 | | Crystal structure of EvdS6 decarboxylase in ligand free state | | Descriptor: | DI(HYDROXYETHYL)ETHER, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, dTDP-glucose 4,6-dehydratase | | Authors: | Sharma, P, Frigo, L, Dulin, C.C, Bachmann, B.O, Iverson, T.M. | | Deposit date: | 2023-04-14 | | Release date: | 2023-08-09 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | EvdS6 is a bifunctional decarboxylase from the everninomicin gene cluster.
J.Biol.Chem., 299, 2023
|
|
8BSZ
 | | Notum Inhibitor ARUK3005522 | | Descriptor: | (3~{a}~{R})-2,3,3~{a},4-tetrahydropyrrolo[1,2-a]indol-1-one, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhao, Y, Jones, E.Y, Fish, P. | | Deposit date: | 2022-11-27 | | Release date: | 2022-12-14 | | Last modified: | 2023-06-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Designed switch from covalent to non-covalent inhibitors of carboxylesterase Notum activity.
Eur.J.Med.Chem., 251, 2023
|
|
8SK0
 | | Crystal structure of EvdS6 decarboxylase in ligand bound state | | Descriptor: | CITRATE ANION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Sharma, P, Frigo, L, Dulin, C.C, Bachmann, B.O, Iverson, T.M. | | Deposit date: | 2023-04-18 | | Release date: | 2023-08-09 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | EvdS6 is a bifunctional decarboxylase from the everninomicin gene cluster.
J.Biol.Chem., 299, 2023
|
|
8BTA
 | | Notum Inhibitor ARUK3004308 | | Descriptor: | 1,2-ETHANEDIOL, 1-(4-chloranyl-2,3-dihydroindol-1-yl)ethanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhao, Y, Jones, E.Y, Fish, P. | | Deposit date: | 2022-11-28 | | Release date: | 2022-12-14 | | Last modified: | 2023-06-28 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Designed switch from covalent to non-covalent inhibitors of carboxylesterase Notum activity.
Eur.J.Med.Chem., 251, 2023
|
|
8BTH
 | | Notum Inhibitor ARUK3004552 | | Descriptor: | 1,2-ETHANEDIOL, 1-(2,3-dihydroindol-1-yl)prop-2-en-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhao, Y, Jones, E.Y, Fish, P. | | Deposit date: | 2022-11-28 | | Release date: | 2022-12-14 | | Last modified: | 2023-06-28 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Designed switch from covalent to non-covalent inhibitors of carboxylesterase Notum activity.
Eur.J.Med.Chem., 251, 2023
|
|
6RSB
 | |
6RWH
 | | Fragment AZ-007 binding at a primary and secondary binding site of the the p53pT387/14-3-3 sigma complex | | Descriptor: | 14-3-3 protein sigma, 5-(1~{H}-imidazol-5-yl)-4-phenyl-thiophene-2-carboximidamide, CALCIUM ION, ... | | Authors: | Leysen, S, Guillory, X, Wolter, M, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C. | | Deposit date: | 2019-06-05 | | Release date: | 2020-06-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
|
|
5NUK
 | | Engineered beta-lactoglobulin: variant I56F-L39A-M107F in complex with chlorpromazine (LG-FAF-CLP) | | Descriptor: | 3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine, Beta-lactoglobulin, CHLORIDE ION, ... | | Authors: | Loch, J.I, Bonarek, P, Tworzydlo, M, Lazinska, I, Szydlowska, J, Lewinski, K. | | Deposit date: | 2017-04-30 | | Release date: | 2018-04-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The engineered beta-lactoglobulin with complementarity to the chlorpromazine chiral conformers.
Int. J. Biol. Macromol., 114, 2018
|
|
6GA5
 | | Bacteriorhodopsin, 3 ps state, REAL-SPACE REFINEMED AGAINST 10% EXTRAPOLATED MAP | | Descriptor: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | | Authors: | Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Schlichting, I. | | Deposit date: | 2018-04-11 | | Release date: | 2019-04-24 | | Last modified: | 2019-07-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin.
Nat Commun, 10, 2019
|
|
6GAF
 | | BACTERIORHODOPSIN, 590 FS STATE, REAL-SPACE REFINED AGAINST 15% EXTRAPOLATED STRUCTURE FACTORS | | Descriptor: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | | Authors: | Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Schlichting, I. | | Deposit date: | 2018-04-11 | | Release date: | 2019-04-24 | | Last modified: | 2019-07-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin.
Nat Commun, 10, 2019
|
|
6TSK
 | | Beta-galactosidase in complex with L-ribose | | Descriptor: | Beta-galactosidase, MAGNESIUM ION, beta-L-ribopyranose | | Authors: | Saur, M, Hartshorn, M.J, Dong, J, Reeks, J, Bunkoczi, G, Jhoti, H, Williams, P.A. | | Deposit date: | 2019-12-20 | | Release date: | 2020-01-08 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.3 Å) | | Cite: | Fragment-based drug discovery using cryo-EM.
Drug Discov Today, 25, 2020
|
|
6TEQ
 | | Crystal structure of a galactokinase from Bifidobacterium infantis in complex with 2-deoxy-2-fluoro-galactose | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-deoxy-2-fluoro-alpha-D-galactopyranose, ... | | Authors: | Keenan, T, Parmeggiani, F, Fontenelle, C.Q, Malassis, J, Vendeville, J, Offen, W.A, Both, P, Huang, K, Marchesi, A, Heyam, A, Young, C, Charnock, S, Davies, G.J, Linclau, B, Flitsch, S.L, Fascione, M.A. | | Deposit date: | 2019-11-12 | | Release date: | 2020-06-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Profiling Substrate Promiscuity of Wild-Type Sugar Kinases for Multi-fluorinated Monosaccharides.
Cell Chem Biol, 27, 2020
|
|
5FF0
 | | HydE from T. maritima in complex with S-adenosyl-L-cysteine and methionine | | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CHLORIDE ION, Fe4-Se4 cluster, ... | | Authors: | Rohac, R, Amara, P, Benjdia, A, Martin, L, Ruffie, P, Favier, A, Berteau, O, Mouesca, J.M, Fontecilla-Camps, J.C, Nicolet, Y. | | Deposit date: | 2015-12-17 | | Release date: | 2016-04-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Carbon-sulfur bond-forming reaction catalysed by the radical SAM enzyme HydE.
Nat.Chem., 8, 2016
|
|
5O5S
 | | X-ray crystal structure of the RapZ C-terminal domain from Escherichia coli | | Descriptor: | MALONATE ION, RNase adapter protein RapZ | | Authors: | Gonzalez, G.M, Durica-Mitic, S, Hardwick, S.W, Moncrieffe, M, Resch, M, Neumann, P, Ficner, R, Gorke, B, Luisi, B.F. | | Deposit date: | 2017-06-02 | | Release date: | 2017-08-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | Structural insights into RapZ-mediated regulation of bacterial amino-sugar metabolism.
Nucleic Acids Res., 45, 2017
|
|
8BAH
 | | Human Mre11-Nbs1 complex | | Descriptor: | Double-strand break repair protein MRE11, MANGANESE (II) ION, Nibrin | | Authors: | Bartho, J.D, Rotheneder, M, Stakyte, K, Lammens, K, Hopfner, K.P. | | Deposit date: | 2022-10-11 | | Release date: | 2023-01-11 | | Last modified: | 2023-12-13 | | Method: | ELECTRON MICROSCOPY (4.13 Å) | | Cite: | Cryo-EM structure of the Mre11-Rad50-Nbs1 complex reveals the molecular mechanism of scaffolding functions.
Mol.Cell, 83, 2023
|
|
7LEP
 | | The composite LBD-TMD structure combined from all hippocampal AMPAR subtypes at 3.25 Angstrom resolution | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 6-[2-chloro-6-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-ol, DECANE, ... | | Authors: | Yu, J, Rao, P, Gouaux, E. | | Deposit date: | 2021-01-14 | | Release date: | 2021-05-12 | | Last modified: | 2021-06-30 | | Method: | ELECTRON MICROSCOPY (3.25 Å) | | Cite: | Hippocampal AMPA receptor assemblies and mechanism of allosteric inhibition.
Nature, 594, 2021
|
|
1LAE
 | | Solution Structure of the DNA 13-mer Hairpin CGCGGTXTCCGCG (X=PdG) Containing the 1,N2-propanodeoxyguanosine Adduct at the Seventh Position | | Descriptor: | 5'-D(*CP*GP*CP*GP*GP*TP*(P)P*TP*CP*CP*GP*CP*G)-3' | | Authors: | Weisenseel, J.P, Reddy, G.R, Marnett, L.J, Stone, M.P. | | Deposit date: | 2002-03-28 | | Release date: | 2002-04-17 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure of the 1,N(2)-propanodeoxyguanosine adduct in a three-base DNA hairpin loop derived from a palindrome in the Salmonella typhimurium hisD3052 gene.
Chem.Res.Toxicol., 15, 2002
|
|
6H8E
 | | Truncated derivative of the C-terminal domain of the TssA component of the type VI secretion system from Burkholderia cenocepacia | | Descriptor: | Type VI secretion protein ImpA | | Authors: | Dix, S.R, Owen, H.J, Sun, R, Ahmad, A, Shastri, S, Spiewak, H.L, Mosby, D.J, Harris, M.J, Batters, S.L, Brooker, T.A, Tzokov, S.B, Sedelnikova, S.E, Baker, P.J, Bullough, P.A, Rice, D.W, Thomas, M.S. | | Deposit date: | 2018-08-02 | | Release date: | 2018-11-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural insights into the function of type VI secretion system TssA subunits.
Nat Commun, 9, 2018
|
|
1AMM
 | | 1.2 ANGSTROM STRUCTURE OF GAMMA-B CRYSTALLIN AT 150K | | Descriptor: | GAMMA B-CRYSTALLIN | | Authors: | Kumaraswamy, V.S, Lindley, P.F, Slingsby, C, Glover, I.D. | | Deposit date: | 1996-03-20 | | Release date: | 1996-11-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | An eye lens protein-water structure: 1.2 A resolution structure of gammaB-crystallin at 150 K.
Acta Crystallogr.,Sect.D, 52, 1996
|
|
3P33
 | | Insulin fibrillation is the Janus face of induced fit. A chiral clamp stabilizes the native state at the expense of activity | | Descriptor: | CHLORIDE ION, Insulin, PHENOL, ... | | Authors: | Hua, Q.X, Wan, Z.L, Huang, K, Hu, S.Q, Phillip, N.F, Jia, W.H, Whittingham, J, Dodson, G.G, Katsoyannis, P.G, Weiss, M.A. | | Deposit date: | 2010-10-04 | | Release date: | 2011-11-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Insulin fibrillation is the Janus face of induced fit. A chiral clamp stabilizes the native state at the expense of activity
To be Published
|
|
8SZT
 | | Structure of Kdac1 from Acinetobacter baumannii | | Descriptor: | CHLORIDE ION, Histone deacetylase domain-containing protein, POTASSIUM ION, ... | | Authors: | Watson, P.R, Christianson, D.W. | | Deposit date: | 2023-05-30 | | Release date: | 2023-09-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure and Function of Kdac1, a Class II Deacetylase from the Multidrug-Resistant Pathogen Acinetobacter baumannii .
Biochemistry, 62, 2023
|
|
3P4H
 | | Structures of archaeal members of the LigD 3'-phosphoesterase DNA repair enzyme superfamily | | Descriptor: | ATP-dependent DNA ligase, N-terminal domain protein, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Smith, P, Nair, P.A, Das, U, Zhu, H, Shuman, S. | | Deposit date: | 2010-10-06 | | Release date: | 2011-01-19 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Structures and activities of archaeal members of the LigD 3'-phosphoesterase DNA repair enzyme superfamily.
Nucleic Acids Res., 39, 2011
|
|
6T7F
 | | RCR E3 ligase E2-Ubiquitin transthiolation intermediate | | Descriptor: | 3,3-bis(sulfanyl)-~{N}-(1~{H}-1,2,3-triazol-4-ylmethyl)propanamide, E3 ubiquitin-protein ligase MYCBP2, Polyubiquitin-C, ... | | Authors: | Mabbitt, P.D, Virdee, S. | | Deposit date: | 2019-10-21 | | Release date: | 2020-08-05 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Structural basis for RING-Cys-Relay E3 ligase activity and its role in axon integrity.
Nat.Chem.Biol., 16, 2020
|
|
2XIK
 | | Structure of Human YSK1 (Yeast Sps1-Ste20-related Kinase 1) | | Descriptor: | 1,2-ETHANEDIOL, 5-[(E)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]-N-[2-(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE, SERINE/THREONINE PROTEIN KINASE 25 | | Authors: | Muniz, J.R.C, Rellos, P, Ugochukwu, E, Vollmar, M, Allerston, C, Chaikuad, A, Savitsky, P, Berridge, G, Brenner, B, Elkins, J.M, Daga, N, Gileadi, O, Mahajan, P, Shrestha, B, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S. | | Deposit date: | 2010-06-30 | | Release date: | 2010-07-14 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structure of Human Ysk1 (Yeast Sps1-Ste20-Related Kinase 1)
To be Published
|
|
6HJR
 | |
