6HIE
 
 | | The ATAD2 bromodomain in complex with compound 17 | | Descriptor: | (2~{R})-1-[2-[4,4-bis(fluoranyl)cyclohexyl]ethyl]-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)piperazine-2-carboxamide, ATPase family AAA domain-containing protein 2, SULFATE ION | | Authors: | Sledz, P, Caflisch, A. | | Deposit date: | 2018-08-29 | | Release date: | 2019-02-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers.
Acs Med.Chem.Lett., 11, 2020
|
|
6HMX
 | |
6J67
 | | Crystal structure of the compound 34 in a complex with TRF2 | | Descriptor: | 3FB-PHE-B8R-LEU-5XU-PRO, Telomeric repeat-binding factor 2 | | Authors: | Chen, Y, Yang, Y, Lei, M. | | Deposit date: | 2019-01-14 | | Release date: | 2019-02-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Cyclic Peptidic Mimetics of Apollo Peptides Targeting Telomeric Repeat Binding Factor 2 (TRF2) and Apollo Interaction.
ACS Med Chem Lett, 9, 2018
|
|
6HGV
 | | Soluble epoxide hydrolase in complex with talinolol | | Descriptor: | Bifunctional epoxide hydrolase 2, MAGNESIUM ION, R-Talinolol | | Authors: | Kramer, J.S, Pogoryelov, D, Hiesinger, K, Proschak, E. | | Deposit date: | 2018-08-23 | | Release date: | 2019-07-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Computer-Aided Selective Optimization of Side Activities of Talinolol.
Acs Med.Chem.Lett., 10, 2019
|
|
6HI8
 | | The ATAD2 bromodomain in complex with compound 11 | | Descriptor: | 2-azanyl-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]-2-methyl-propanamide, ATPase family AAA domain-containing protein 2, SULFATE ION | | Authors: | Sledz, P, Caflisch, A. | | Deposit date: | 2018-08-29 | | Release date: | 2019-10-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers.
Acs Med.Chem.Lett., 11, 2020
|
|
6HID
 | | The ATAD2 bromodomain in complex with compound 16 | | Descriptor: | ATPase family AAA domain-containing protein 2, SULFATE ION, ~{N}-[4-ethanoyl-5-(4-morpholin-4-ylcarbonylphenyl)-1,3-thiazol-2-yl]piperazine-2-carboxamide | | Authors: | Sledz, P, Caflisch, A. | | Deposit date: | 2018-08-29 | | Release date: | 2019-02-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.768 Å) | | Cite: | Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers.
Acs Med.Chem.Lett., 11, 2020
|
|
6HCH
 | | STRUCTURE OF GLUA2 LIGAND-BINDING DOMAIN (S1S2J-L504Y-N775S) IN COMPLEX WITH GLUTAMATE AND TDPAM01 AT 1.6 A RESOLUTION. | | Descriptor: | 6,6'-(Ethane-1,2-diyl)bis(4-methyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide), ACETATE ION, CHLORIDE ION, ... | | Authors: | Laulumaa, S, Hansen, K.V, Frydenvang, K, Kastrup, J.S. | | Deposit date: | 2018-08-15 | | Release date: | 2019-04-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structures of Potent Dimeric Positive Allosteric Modulators at the Ligand-Binding Domain of the GluA2 Receptor.
Acs Med.Chem.Lett., 10, 2019
|
|
7E2E
 | | Crystal structure of the Estrogen-Related Receptor alpha (ERRalpha) ligand-binding domain (LBD) in complex with an agonist DS45500853 and a PGC-1alpha peptide | | Descriptor: | 1-[4-(3-tert-butyl-4-oxidanyl-phenoxy)phenyl]ethanone, IODIDE ION, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, ... | | Authors: | Ito, S, Shinozuka, T, Kimura, T, Izumi, M, Wakabayashi, K. | | Deposit date: | 2021-02-05 | | Release date: | 2021-06-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery of a Novel Class of ERR alpha Agonists.
Acs Med.Chem.Lett., 12, 2021
|
|
6JMF
 | |
6IZM
 | | Crystal structure of the PPARgamma-LBD complexed with compound 1l | | Descriptor: | 3-[[6-(2,6-dimethylpyridin-3-yl)oxy-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid, Peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, Peroxisome proliferator-activated receptor gamma | | Authors: | Matsui, Y, Hanzawa, H. | | Deposit date: | 2018-12-20 | | Release date: | 2019-03-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-Activity Relationship Studies of 3- or 4-Pyridine Derivatives of DS-6930.
Acs Med.Chem.Lett., 10, 2019
|
|
7EHZ
 | | Structure of human NNMT in complex with macrocyclic peptide 2 | | Descriptor: | Nicotinamide N-methyltransferase, macrocyclic peptide 2 | | Authors: | Hayashi, K, Mikamiyama, H, Uehara, S, Yamamoto, S, Cary, D, Nishikawa, J, Ueda, T, Ozasa, H, Mihara, K, Yoshimura, N, Kawai, T, Ono, T, Yamamoto, S, Fumoto, M. | | Deposit date: | 2021-03-30 | | Release date: | 2021-12-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Macrocyclic Peptides as a Novel Class of NNMT Inhibitors: A SAR Study Aimed at Inhibitory Activity in the Cell.
Acs Med.Chem.Lett., 12, 2021
|
|
7EGU
 | | Structure of human NNMT in complex with macrocyclic peptide X | | Descriptor: | Nicotinamide N-methyltransferase, macrocyclic peptide X | | Authors: | Hayashi, K, Mikamiyama, H, Uehara, S, Yamamoto, S, Cary, D, Nishikawa, J, Ueda, T, Ozasa, H, Mihara, K, Yoshimura, N, Kawai, T, Ono, T, Yamamoto, S, Fumoto, M. | | Deposit date: | 2021-03-26 | | Release date: | 2021-12-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Macrocyclic Peptides as a Novel Class of NNMT Inhibitors: A SAR Study Aimed at Inhibitory Activity in the Cell.
Acs Med.Chem.Lett., 12, 2021
|
|
7EI2
 | | Structure of human NNMT in complex with macrocyclic peptide 8 | | Descriptor: | Nicotinamide N-methyltransferase, macrocyclic peptide 8 | | Authors: | Hayashi, K, Mikamiyama, H, Uehara, S, Yamamoto, S, Cary, D, Nishikawa, J, Ueda, T, Ozasa, H, Mihara, K, Yoshimura, N, Kawai, T, Ono, T, Yamamoto, S, Fumoto, M. | | Deposit date: | 2021-03-30 | | Release date: | 2022-03-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Macrocyclic Peptides as a Novel Class of NNMT Inhibitors: A SAR Study Aimed at Inhibitory Activity in the Cell.
Acs Med.Chem.Lett., 12, 2021
|
|
4X94
 | |
4WG4
 | |
4WLP
 | | Crystal structure of UCH37-NFRKB Inhibited Deubiquitylating Complex | | Descriptor: | Nuclear factor related to kappa-B-binding protein, Ubiquitin carboxyl-terminal hydrolase isozyme L5 | | Authors: | Hemmis, C.W, Hill, C.P, VanderLinden, R, Whitby, F.G. | | Deposit date: | 2014-10-07 | | Release date: | 2015-03-04 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.102 Å) | | Cite: | Structural Basis for the Activation and Inhibition of the UCH37 Deubiquitylase.
Mol.Cell, 57, 2015
|
|
4WSE
 | |
4WSJ
 | | Crystal structure of a bacterial fucodiase in complex with 1-((1R,2R,3R,4R,5R,6R)-2,3,4-trihydroxy-5-methyl-7-azabicyclo[4.1.0]heptan-7-yl)ethan-1-one | | Descriptor: | Alpha-L-fucosidase, N-[(1S,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methylcyclohexyl]acetamide, SULFATE ION | | Authors: | Davies, G.J, Wright, D.W. | | Deposit date: | 2014-10-28 | | Release date: | 2014-11-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | In vitroandin vivocomparative and competitive activity-based protein profiling of GH29 alpha-l-fucosidases.
Chem Sci, 6, 2015
|
|
4X4E
 | |
4X58
 | | Anthranilate phosphoribosyl transferase variant N138A from Mycobacterium tuberculosis in complex with PRPP and Mg | | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, Anthranilate phosphoribosyltransferase, D-MALATE, ... | | Authors: | Cookson, T.V.M, Evans, G.L, Parker, E.J, Lott, J.S. | | Deposit date: | 2014-12-04 | | Release date: | 2015-11-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structures of Mycobacterium tuberculosis Anthranilate Phosphoribosyltransferase Variants Reveal the Conformational Changes That Facilitate Delivery of the Substrate to the Active Site.
Biochemistry, 54, 2015
|
|
4WUC
 | | N-terminal 43 kDa fragment of the E. coli DNA gyrase B subunit grown from 100 mM NaCl condition | | Descriptor: | CHLORIDE ION, DNA gyrase subunit B, MAGNESIUM ION, ... | | Authors: | Hearnshaw, S.J, Chung, T.T, Stevenson, C.E.M, Maxwell, A, Lawson, D.M. | | Deposit date: | 2014-10-31 | | Release date: | 2015-04-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The role of monovalent cations in the ATPase reaction of DNA gyrase
Acta Crystallogr.,Sect.D, 71, 2015
|
|
4X81
 | | MycF mycinamicin III 3'-O-methyltransferase (E35Q, M56A, E139A variant) in complex with Mg, SAH and mycinamicin VI (MycE substrate) | | Descriptor: | DIMETHYL SULFOXIDE, MAGNESIUM ION, Mycinamicin III 3''-O-methyltransferase, ... | | Authors: | Bernard, S.M, Smith, J.L. | | Deposit date: | 2014-12-09 | | Release date: | 2015-03-04 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Structural Basis of Substrate Specificity and Regiochemistry in the MycF/TylF Family of Sugar O-Methyltransferases.
Acs Chem.Biol., 10, 2015
|
|
4X8D
 | | Ergothioneine-biosynthetic sulfoxide synthase EgtB in complex with N,N-dimethyl-histidine and gamma-glutamyl-cysteine | | Descriptor: | CALCIUM ION, CHLORIDE ION, GAMMA-GLUTAMYLCYSTEINE, ... | | Authors: | Vit, A, Goncharenko, K.V, Blankenfeldt, W, Seebeck, F.P. | | Deposit date: | 2014-12-10 | | Release date: | 2015-01-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structure of the Sulfoxide Synthase EgtB from the Ergothioneine Biosynthetic Pathway.
Angew.Chem.Int.Ed.Engl., 54, 2015
|
|
4X6E
 | | CD1a binary complex with lysophosphatidylcholine | | Descriptor: | (4R,7R,18Z)-4,7-dihydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide, Beta-2-microglobulin, D-MALATE, ... | | Authors: | Birkinshaw, R.W, Rossjohn, J. | | Deposit date: | 2014-12-08 | | Release date: | 2015-01-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | alpha beta T cell antigen receptor recognition of CD1a presenting self lipid ligands.
Nat.Immunol., 16, 2015
|
|
4WFC
 | | Structure of the Rrp6-Rrp47 interaction | | Descriptor: | Exosome complex exonuclease RRP6, Exosome complex protein LRP1, SULFATE ION | | Authors: | Schuch, B, Conti, E. | | Deposit date: | 2014-09-14 | | Release date: | 2014-10-29 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | The exosome-binding factors Rrp6 and Rrp47 form a composite surface for recruiting the Mtr4 helicase.
Embo J., 33, 2014
|
|
