6M92
 
 | | Monophosphorylated pSer33 b-Catenin peptide, b-TrCP/Skp1, NRX-2663 ternary complex | | Descriptor: | 3-{[2-oxo-4-phenoxy-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl]amino}benzoic acid, Catenin beta-1, F-box/WD repeat-containing protein 1A, ... | | Authors: | Simonetta, K.R, Clifton, M.C, Walter, R.L, Ranieri, G.M, Carter, J.J, Lee, S.J. | | Deposit date: | 2018-08-22 | | Release date: | 2019-04-03 | | Last modified: | 2020-01-15 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Prospective discovery of small molecule enhancers of an E3 ligase-substrate interaction.
Nat Commun, 10, 2019
|
|
5QCD
 | | Crystal structure of human Cathepsin-S with bound ligand | | Descriptor: | Cathepsin S, SULFATE ION, {(3S)-7-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]-1,2,3,4-tetrahydroisoquinolin-3-yl}(piperidin-1-yl)methanone | | Authors: | Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K. | | Deposit date: | 2017-08-04 | | Release date: | 2017-12-20 | | Last modified: | 2021-11-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of human Cathepsin-S with bound ligand
To be published
|
|
7SHL
 | | Structure of Xenopus laevis CRL2Lrr1 (State 2) | | Descriptor: | CULLIN_2 domain-containing protein, Elongin-C, Lrr1, ... | | Authors: | Zhou, H, Brown, A. | | Deposit date: | 2021-10-09 | | Release date: | 2021-12-08 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structure of CRL2Lrr1, the E3 ubiquitin ligase that promotes DNA replication termination in vertebrates.
Nucleic Acids Res., 49, 2021
|
|
7SHK
 | | Structure of Xenopus laevis CRL2Lrr1 (State 1) | | Descriptor: | CULLIN_2 domain-containing protein, Elongin-C, Lrr1, ... | | Authors: | Zhou, H, Brown, A. | | Deposit date: | 2021-10-09 | | Release date: | 2021-12-08 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structure of CRL2Lrr1, the E3 ubiquitin ligase that promotes DNA replication termination in vertebrates.
Nucleic Acids Res., 49, 2021
|
|
5MAP
 | | X-ray generated oxyferrous complex of DtpA from Streptomyces lividans | | Descriptor: | DtpA, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Moreno Chicano, T, Chaplin, A.K, Worrall, J.A.R, Strange, R.W, Hough, M.A. | | Deposit date: | 2016-11-04 | | Release date: | 2017-05-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Photoreduction and validation of haem-ligand intermediate states in protein crystals by in situ single-crystal spectroscopy and diffraction.
IUCrJ, 4, 2017
|
|
7W5U
 | | Acetyl-CoA Carboxylase-AccB | | Descriptor: | Acetyl-CoA carboxylase complex, beta-chain, GLYCEROL, ... | | Authors: | Ali, I, Zheng, J. | | Deposit date: | 2021-11-30 | | Release date: | 2022-04-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Crystal structure of Acetyl-CoA carboxylase (AccB) from Streptomyces antibioticus and insights into the substrate-binding through in silico mutagenesis and biophysical investigations.
Comput Biol Med, 145, 2022
|
|
7PQT
 | | Apo human Kv3.1 cryo-EM structure | | Descriptor: | POTASSIUM ION, Potassium voltage-gated channel subfamily C member 1 | | Authors: | Botte, M, Huber, S, Bucher, D, Klint, J.K, Rodriguez, D, Tagmose, L, Chami, M, Cheng, R, Hennig, M, Abdul Rhaman, W. | | Deposit date: | 2021-09-20 | | Release date: | 2022-08-17 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.65 Å) | | Cite: | Apo and ligand-bound high resolution Cryo-EM structures of the human Kv3.1 channel reveal a novel binding site for positive modulators.
Pnas Nexus, 1, 2022
|
|
7T7Y
 | |
7ARO
 | | Crystal structure of the non-ribose partial agonist LUF5833 bound to the adenosine A2A receptor | | Descriptor: | 2-azanyl-6-(1~{H}-imidazol-2-ylmethylsulfanyl)-4-phenyl-pyridine-3,5-dicarbonitrile, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, CHOLESTEROL, ... | | Authors: | Verdon, G, Amelia, T, van Veldhoven, J, Falsini, M, Liu, R, Heitman, L, van Westen, G, Segala, E, Cheng, R, Cooke, R, van der Es, D, Ijzerman, A. | | Deposit date: | 2020-10-25 | | Release date: | 2021-04-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.119 Å) | | Cite: | Crystal Structure and Subsequent Ligand Design of a Nonriboside Partial Agonist Bound to the Adenosine A 2A Receptor.
J.Med.Chem., 64, 2021
|
|
6LO9
 | | Crystal structure of RORgammat with ligand C46D bound | | Descriptor: | 6-cyclohexyloxy-9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide, Nuclear receptor ROR-gamma | | Authors: | Feng, Y, Shijie, C. | | Deposit date: | 2020-01-04 | | Release date: | 2021-01-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.86004949 Å) | | Cite: | Crystal structure of RORgammat with ligand C46D bound
To Be Published
|
|
7T7Z
 | | The crystal structure of family 8 carbohydrate-binding module from Dictyostelium discoideum | | Descriptor: | (2S)-2-hydroxybutanedioic acid, 1,2-ETHANEDIOL, Endoglucanase, ... | | Authors: | Marcelo, M.V, Campos, B.M, Squina, F.M. | | Deposit date: | 2021-12-15 | | Release date: | 2022-04-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Unique properties of a Dictyostelium discoideum carbohydrate-binding module expand our understanding of CBM-ligand interactions.
J.Biol.Chem., 298, 2022
|
|
2IOU
 | |
5QC9
 | | Crystal structure of human Cathepsin-S with bound ligand | | Descriptor: | Cathepsin S, N-{[5-{1-[3-(dimethylamino)propyl]-5-[(piperidin-4-yl)acetyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}-2-(trifluoromethyl)phenyl]methyl}-3-methylbut-2-enamide | | Authors: | Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K. | | Deposit date: | 2017-08-04 | | Release date: | 2017-12-20 | | Last modified: | 2021-11-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of human Cathepsin-S with bound ligand
To be published
|
|
4LKT
 | |
3FO6
 | | Crystal structure of guanine riboswitch bound to 6-O-methylguanine | | Descriptor: | 6-O-methylguanine, ACETATE ION, COBALT HEXAMMINE(III), ... | | Authors: | Gilbert, S.D, Reyes, F.E, Batey, R.T. | | Deposit date: | 2008-12-28 | | Release date: | 2009-06-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Adaptive ligand binding by the purine riboswitch in the recognition of Guanine and adenine analogs.
Structure, 17, 2009
|
|
5MRN
 | | Arabidopsis thaliana IspD Glu258Ala Mutant | | Descriptor: | 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, CADMIUM ION, ... | | Authors: | Schwab, A, Illarionov, B, Frank, A, Kunfermann, A, Seet, M, Bacher, A, Witschel, M, Fischer, M, Groll, M, Diederich, F. | | Deposit date: | 2016-12-23 | | Release date: | 2017-07-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Mechanism of Allosteric Inhibition of the Enzyme IspD by Three Different Classes of Ligands.
ACS Chem. Biol., 12, 2017
|
|
5QC2
 | | Crystal structure of human Cathepsin-S with bound ligand | | Descriptor: | 2-[1-(cyclohexylmethyl)piperidin-4-yl]-1-{3-[3-{[2-(4-fluoropiperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-(3-hydroxypropyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one, Cathepsin S | | Authors: | Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K. | | Deposit date: | 2017-08-04 | | Release date: | 2017-12-20 | | Last modified: | 2021-11-17 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Crystal structure of human Cathepsin-S with bound ligand
To be published
|
|
5QCI
 | | Crystal structure of human Cathepsin-S with bound ligand | | Descriptor: | Cathepsin S, GLYCEROL, N-benzyl-1-{5-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]-2-methoxyphenyl}methanamine, ... | | Authors: | Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K. | | Deposit date: | 2017-08-04 | | Release date: | 2017-12-20 | | Last modified: | 2021-11-17 | | Method: | X-RAY DIFFRACTION (2.179 Å) | | Cite: | Crystal structure of human Cathepsin-S with bound ligand
To be published
|
|
5QCA
 | | Crystal structure of human Cathepsin-S with bound ligand | | Descriptor: | 1-{4-[(2-chloro-5-{1-[3-(4-cyclopropylpiperazin-1-yl)propyl]-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]phenyl}-N-[(4-chlorophenyl)methyl]methanamine, Cathepsin S, SULFATE ION | | Authors: | Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K. | | Deposit date: | 2017-08-04 | | Release date: | 2017-12-20 | | Last modified: | 2021-11-17 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Crystal structure of human Cathepsin-S with bound ligand
To be published
|
|
5MRQ
 | | Arabidopsis thaliana IspD Asp262Ala Mutant | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, ... | | Authors: | Schwab, A, Illarionov, B, Frank, A, Kunfermann, A, Seet, M, Bacher, A, Witschel, M, Fischer, M, Groll, M, Diederich, F. | | Deposit date: | 2016-12-23 | | Release date: | 2017-07-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Mechanism of Allosteric Inhibition of the Enzyme IspD by Three Different Classes of Ligands.
ACS Chem. Biol., 12, 2017
|
|
5IZF
 | | Complex of PKA with the bisubstrate protein kinase inhibitor ARC-1408 | | Descriptor: | 6J9-ZEU-DAR-ACA-DAR-NH2, SULFATE ION, cAMP-dependent protein kinase catalytic subunit alpha | | Authors: | Pflug, A, Enkvist, E, Uri, A, Engh, R.A. | | Deposit date: | 2016-03-25 | | Release date: | 2016-07-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Bifunctional Ligands for Inhibition of Tight-Binding Protein-Protein Interactions.
Bioconjug.Chem., 27, 2016
|
|
1RYC
 | | CYTOCHROME C PEROXIDASE W191G FROM SACCHAROMYCES CEREVISIAE | | Descriptor: | BENZIMIDAZOLE, CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Fitzgerald, M.M, Musah, R, Mcree, D.E, Goodin, D.B. | | Deposit date: | 1996-05-10 | | Release date: | 1996-11-08 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A ligand-gated, hinged loop rearrangement opens a channel to a buried artificial protein cavity.
Nat.Struct.Biol., 3, 1996
|
|
5MJH
 | | X-ray generated oxyferrous/water mixed complex of DtpA from Streptomyces lividans | | Descriptor: | Dye type peroxidase A, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Moreno Chicano, T, Chaplin, A.K, Worrall, J.A.R, Strange, R.W, Hough, M.A. | | Deposit date: | 2016-12-01 | | Release date: | 2017-05-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Photoreduction and validation of haem-ligand intermediate states in protein crystals by in situ single-crystal spectroscopy and diffraction.
IUCrJ, 4, 2017
|
|
5QBX
 | | Crystal structure of human Cathepsin-S with bound ligand | | Descriptor: | (2S)-1-[4-(2-methoxyphenyl)piperidin-1-yl]-3-{3-[3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl}propan-2-ol, Cathepsin S | | Authors: | Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K. | | Deposit date: | 2017-08-04 | | Release date: | 2017-12-20 | | Last modified: | 2021-11-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of human Cathepsin-S with bound ligand
To be published
|
|
5QCE
 | | Crystal structure of human Cathepsin-S with bound ligand | | Descriptor: | Cathepsin S, N-benzyl-1-{2-chloro-5-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]phenyl}methanamine | | Authors: | Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K. | | Deposit date: | 2017-08-04 | | Release date: | 2017-12-20 | | Last modified: | 2021-11-17 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Crystal structure of human Cathepsin-S with bound ligand
To be published
|
|
