5A44
 
 | | Structure of Bacteriorhodopsin obtained from 20um crystals by multi crystal data collection | | Descriptor: | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, BACTERIORHODOPSIN, HEPTANE, ... | | Authors: | Zander, U, Bourenkov, G, Popov, A.N, de Sanctis, D, McCarthy, A.A, Svensson, O, Round, E.S, Gordeliy, V.I, Mueller-Dieckmann, C, Leonard, G.A. | | Deposit date: | 2015-06-05 | | Release date: | 2015-11-11 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Meshandcollect: An Automated Multi-Crystal Data-Collection Workflow for Synchrotron Macromolecular Crystallography Beamlines.
Acta Crystallogr.,Sect.D, 71, 2015
|
|
5AYG
 | | Crystal Structure of the Human ROR gamma Ligand Binding Domain With 3g | | Descriptor: | 3-[5-(2-cyclohexylethyl)-4-ethyl-1,2,4-triazol-3-yl]-N-naphthalen-1-yl-propanamide, Nuclear receptor ROR-gamma | | Authors: | Noguchi, M, Doi, S, Nomura, A, Kikuwaka, M, Murase, K, Hirata, K, Kamada, M, Adachi, T. | | Deposit date: | 2015-08-20 | | Release date: | 2016-03-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | SAR Exploration Guided by LE and Fsp(3): Discovery of a Selective and Orally Efficacious ROR gamma Inhibitor
Acs Med.Chem.Lett., 7, 2016
|
|
1YYE
 | | Crystal structure of estrogen receptor beta complexed with way-202196 | | Descriptor: | 3-(3-FLUORO-4-HYDROXYPHENYL)-7-HYDROXY-1-NAPHTHONITRILE, Estrogen receptor beta, STEROID RECEPTOR COACTIVATOR-1 | | Authors: | Mewshaw, R.E, Edsall Jr, R.J, Yang, C, Manas, E.S, Xu, Z.B, Henderson, R.A, Keith Jr, J.C, Harris, H.A. | | Deposit date: | 2005-02-24 | | Release date: | 2006-02-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | ERbeta ligands. 3. Exploiting two binding orientations of the 2-phenylnaphthalene scaffold to achieve ERbeta selectivity
J.Med.Chem., 48, 2005
|
|
4XGI
 | |
4PJ2
 | | Crystal structure of Aeromonas hydrophila PliI in complex with Meretrix lusoria lysozyme | | Descriptor: | GLYCEROL, Lysozyme, MAGNESIUM ION, ... | | Authors: | Leysen, S, Van Herreweghe, J.M, Yoneda, K, Ogata, M, Usui, T, Michiels, C.W, Araki, T, Strelkov, S.V. | | Deposit date: | 2014-05-10 | | Release date: | 2015-02-11 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | The structure of the proteinaceous inhibitor PliI from Aeromonas hydrophila in complex with its target lysozyme.
Acta Crystallogr.,Sect.D, 71, 2015
|
|
7DDV
 | | Crystal structure of M.tuberculosis imidazole glycerol phosphate dehydratase in complex with an inhibitor | | Descriptor: | (1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethanamine, CHLORIDE ION, GLYCEROL, ... | | Authors: | Tiwari, S, Pal, R.K, Biswal, B.K. | | Deposit date: | 2020-10-29 | | Release date: | 2021-11-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of M.tuberculosis imidazole glycerol phosphate dehydratase in complex with an inhibitor
To Be Published
|
|
5B29
 | | The 1.28A structure of human FABP3 F16V mutant complexed with palmitic acid at room temperature | | Descriptor: | Fatty acid-binding protein, heart, PALMITIC ACID | | Authors: | Matsuoka, D, Sugiyama, S, Kakinouchi, K, Niiyama, M, Murata, M, Matsuoka, S. | | Deposit date: | 2016-01-12 | | Release date: | 2017-01-18 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | The 1.28A structure of human FABP3 F16V mutant complexed with palmitic acid at room temperature.
To Be Published
|
|
5X7G
 | | Crystal Structure of Paenibacillus sp. 598K cycloisomaltooligosaccharide glucanotransferase | | Descriptor: | CALCIUM ION, Cycloisomaltooligosaccharide glucanotransferase, GLYCEROL, ... | | Authors: | Fujimoto, Z, Kishine, N, Suzuki, N, Suzuki, R, Momma, M, Funane, K. | | Deposit date: | 2017-02-26 | | Release date: | 2017-04-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Isomaltooligosaccharide-binding structure ofPaenibacillussp. 598K cycloisomaltooligosaccharide glucanotransferase
Biosci. Rep., 37, 2017
|
|
6A98
 | | Crystal structure of a cyclase from Fischerella sp. TAU | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, aromatic prenyltransferase, ... | | Authors: | Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T. | | Deposit date: | 2018-07-12 | | Release date: | 2018-12-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018
|
|
4XJ1
 | | Crystal structure of Vibrio cholerae DncV apo form | | Descriptor: | 1,2-ETHANEDIOL, Cyclic AMP-GMP synthase | | Authors: | Kato, K, Ishii, R, Ishitani, R, Nureki, O. | | Deposit date: | 2015-01-08 | | Release date: | 2015-04-29 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Structural Basis for the Catalytic Mechanism of DncV, Bacterial Homolog of Cyclic GMP-AMP Synthase
Structure, 23, 2015
|
|
2X83
 | |
5F4J
 | |
4PNK
 | | G protein-coupled receptor kinase 2 in complex with GSK180736A | | Descriptor: | (4S)-4-(4-fluorophenyl)-N-(2H-indazol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide, Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Homan, K.T, Larimore, K.M, Elkins, J, Knapp, S, Tesmer, J.J.G. | | Deposit date: | 2014-05-23 | | Release date: | 2014-10-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Identification and structure-function analysis of subfamily selective g protein-coupled receptor kinase inhibitors.
Acs Chem.Biol., 10, 2015
|
|
4POW
 | | Structure of the PBP NocT in complex with pyronopaline | | Descriptor: | 1,2-ETHANEDIOL, 1-[(1S)-4-carbamimidamido-1-carboxybutyl]-5-oxo-D-proline, Nopaline-binding periplasmic protein | | Authors: | Morera, S, Vigouroux, A. | | Deposit date: | 2014-02-26 | | Release date: | 2014-10-22 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Agrobacterium uses a unique ligand-binding mode for trapping opines and acquiring a competitive advantage in the niche construction on plant host.
Plos Pathog., 10, 2014
|
|
6SIX
 | | PaaK family AMP-ligase with ANP | | Descriptor: | 1,2-ETHANEDIOL, AMP-dependent synthetase and ligase, CITRATE ANION, ... | | Authors: | Naismith, J.H, Song, H. | | Deposit date: | 2019-08-12 | | Release date: | 2020-01-15 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | The Biosynthesis of the Benzoxazole in Nataxazole Proceeds via an Unstable Ester and has Synthetic Utility.
Angew.Chem.Int.Ed.Engl., 59, 2020
|
|
4BCQ
 | | Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor | | Descriptor: | 4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-2-{[3-(morpholin-4-ylcarbonyl)phenyl]amino}pyrimidine-5-carbonitrile, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2 | | Authors: | Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M. | | Deposit date: | 2012-10-02 | | Release date: | 2013-01-09 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Comparative Structural and Functional Studies of 4-(Thiazol- 5-Yl)-2-(Phenylamino)Pyrimidine-5-Carbonitrile Cdk9 Inhibitors Suggest the Basis for Isotype Selectivity.
J.Med.Chem., 56, 2013
|
|
119L
 | |
118L
 | |
120L
 | |
6K9M
 | | Human LXR-beta in complex with an agonist | | Descriptor: | Oxysterols receptor LXR-beta, ~{tert}-butyl (2'~{S},3~{S})-2-oxidanylidene-2'-propan-2-yl-spiro[1~{H}-indole-3,3'-pyrrolidine]-1'-carboxylate | | Authors: | Zhang, Z, Zhou, H. | | Deposit date: | 2019-06-16 | | Release date: | 2020-06-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Discovery of novel liver X receptor inverse agonists as lipogenesis inhibitors.
Eur.J.Med.Chem., 206, 2020
|
|
122L
 | |
123L
 | |
7DIJ
 | | Falcilysin in complex with MK-4815 | | Descriptor: | 1,2-ETHANEDIOL, 2-(aminomethyl)-3,5-ditert-butyl-phenol, ACETATE ION, ... | | Authors: | Lin, J.Q, El Sahili, A, Lescar, J. | | Deposit date: | 2020-11-19 | | Release date: | 2021-12-01 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Identification of an inhibitory pocket in falcilysin provides a new avenue for malaria drug development.
Cell Chem Biol, 31, 2024
|
|
125L
 | |
5XKQ
 | | Crystal structure of Msmeg3575 in complex with ammeline | | Descriptor: | 4,6-diamino-1,3,5-triazin-2-ol, ACETATE ION, CMP/dCMP deaminase, ... | | Authors: | Gaded, V.M, Anand, R. | | Deposit date: | 2017-05-09 | | Release date: | 2017-08-09 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Selective Deamination of Mutagens by a Mycobacterial Enzyme
J. Am. Chem. Soc., 139, 2017
|
|
