3MOZ
 
 | | Structure of the PTP-like phytase from Selenomonas ruminantium in complex with myo-inositol (1,2,3,5,6)pentakisphosphate | | Descriptor: | (1R,2R,3R,4R,5S,6S)-6-HYDROXYCYCLOHEXANE-1,2,3,4,5-PENTAYL PENTAKIS[DIHYDROGEN (PHOSPHATE)], ACETATE ION, CHLORIDE ION, ... | | Authors: | Gruninger, R.J, Selinger, L.B, Mosimann, S.C. | | Deposit date: | 2010-04-23 | | Release date: | 2011-06-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Substrate binding in protein-tyrosine phosphatase-like inositol polyphosphatases.
J.Biol.Chem., 287, 2012
|
|
3MR0
 | | Crystal Structure of Sensory Box Histidine Kinase/Response Regulator from Burkholderia thailandensis E264 | | Descriptor: | 1,2-ETHANEDIOL, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Kim, Y, Tesar, C, Buck, K, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2010-04-28 | | Release date: | 2010-06-23 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.493 Å) | | Cite: | Crystal Structure of Sensory Box Histidine Kinase/Response Regulator from Burkholderia thailandensis E264
To be Published
|
|
7RJQ
 | | Crystal structure of human Bromodomain containing protein 4 (BRD4) in complex with ILF3 | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, CHLORIDE ION, ... | | Authors: | Fedorov, E, Islam, K, Ghosh, A. | | Deposit date: | 2021-07-21 | | Release date: | 2022-08-03 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Uncovering the Bromodomain Interactome using Site-Specific Azide-Acetyllysine Photochemistry, Proteomic Profiling and Structural Characterization
To Be Published
|
|
7RJM
 | | Crystal structure of human Bromodomain containing protein 3 (BRD3) in complex with ILF3 | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 3, Interleukin enhancer-binding factor 3 | | Authors: | Fedorov, E, Islam, K, Ghosh, A. | | Deposit date: | 2021-07-21 | | Release date: | 2022-08-03 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Uncovering the Bromodomain Interactome using Site-Specific Azide-Acetyllysine Photochemistry, Proteomic Profiling and Structural Characterization
Biorxiv, 2021
|
|
6QOX
 | | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 27 (Methyl 2-(hydroxymethyl)-6H-thieno[2,3-b]pyrrole-5-carboxylate) | | Descriptor: | methyl 2-(hydroxymethyl)-6~{H}-thieno[2,3-b]pyrrole-5-carboxylate, tRNA (guanine-N(1)-)-methyltransferase | | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | | Deposit date: | 2019-02-12 | | Release date: | 2020-02-26 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
|
|
8JK0
 | | Crystal structure of QL-hNTAQ1 C28S | | Descriptor: | Protein N-terminal glutamine amidohydrolase | | Authors: | Kang, J.M, Han, B.W. | | Deposit date: | 2023-05-31 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structural study for substrate recognition of human N-terminal glutamine amidohydrolase 1 in the arginine N-degron pathway.
Protein Sci., 33, 2024
|
|
8RPX
 | | NhoI restriction endonuclease in complex with quadruply methylated DNA target | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, DNA (5'-D(*CP*TP*GP*(5CM)P*AP*GP*(5CM)P*TP*C)-3'), ... | | Authors: | Rafalski, D, Krakowska, K, Gilski, M, Bochtler, M. | | Deposit date: | 2024-01-17 | | Release date: | 2024-07-17 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Structural analysis of the BisI family of modification dependent restriction endonucleases.
Nucleic Acids Res., 52, 2024
|
|
7TZ7
 | | PI3K alpha in complex with an inhibitor | | Descriptor: | (4S,5R)-3-[2'-amino-2-(morpholin-4-yl)-4'-(trifluoromethyl)[4,5'-bipyrimidin]-6-yl]-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one, Isoform 3 of Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Knapp, M.S, Tang, J. | | Deposit date: | 2022-02-15 | | Release date: | 2022-05-18 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Identification of NVP-CLR457 as an Orally Bioavailable Non-CNS-Penetrant pan-Class IA Phosphoinositol-3-Kinase Inhibitor.
J.Med.Chem., 65, 2022
|
|
8JJX
 | | Crystal structure of QS-hNTAQ1 C28S | | Descriptor: | Protein N-terminal glutamine amidohydrolase | | Authors: | Kang, J.M, Han, B.W. | | Deposit date: | 2023-05-31 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural study for substrate recognition of human N-terminal glutamine amidohydrolase 1 in the arginine N-degron pathway.
Protein Sci., 33, 2024
|
|
9I0W
 | | Structure of human PD-L1 in complex with clinically evaluated inhibitor | | Descriptor: | (3~{R})-1-[[7-(iminomethyl)-2-[2-methyl-3-[2-methyl-3-[[3-[[(3~{R})-3-oxidanylpyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-1,3-benzoxazol-5-yl]methyl]pyrrolidine-3-carboxylic acid, Programmed cell death 1 ligand 1 | | Authors: | Plewka, J, Golebiowska-Mendroch, K, Slota, A, Magiera-Mularz, K. | | Deposit date: | 2025-01-15 | | Release date: | 2025-06-18 | | Last modified: | 2025-07-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Characterization of Clinically Evaluated Small-Molecule Inhibitors of PD-L1 for Immunotherapy.
Acs Med.Chem.Lett., 16, 2025
|
|
8JJU
 | | Crystal structure of QD-hNTAQ1 C28S | | Descriptor: | Protein N-terminal glutamine amidohydrolase | | Authors: | Kang, J.M, Han, B.W. | | Deposit date: | 2023-05-31 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Structural study for substrate recognition of human N-terminal glutamine amidohydrolase 1 in the arginine N-degron pathway.
Protein Sci., 33, 2024
|
|
8JJZ
 | | Crystal structure of QQ-hNTAQ1 C28S | | Descriptor: | Protein N-terminal glutamine amidohydrolase | | Authors: | Kang, J.M, Han, B.W. | | Deposit date: | 2023-05-31 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Structural study for substrate recognition of human N-terminal glutamine amidohydrolase 1 in the arginine N-degron pathway.
Protein Sci., 33, 2024
|
|
5G53
 | | Structure of the adenosine A2A receptor bound to an engineered G protein | | Descriptor: | ADENOSINE RECEPTOR A2A, ENGINEERED DOMAIN OF HUMAN G ALPHA S LONG ISOFORM, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Carpenter, B, Nehme, R, Warne, T, Leslie, A.G.W, Tate, C.G. | | Deposit date: | 2016-05-19 | | Release date: | 2016-08-03 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Structure of the Adenosine A2A Receptor Bound to an Engineered G Protein
Nature, 536, 2016
|
|
5J7Q
 | | Macrophage Migration Inhibitory Factor bound to Inhibitor K664 Derivative | | Descriptor: | 4-(imidazo[1,2-a]pyridin-2-yl)benzene-1,2-diol, GLYCEROL, ISOPROPYL ALCOHOL, ... | | Authors: | Robertson, M.J, Jorgensen, W.L. | | Deposit date: | 2016-04-06 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Irregularities in enzyme assays: The case of macrophage migration inhibitory factor.
Bioorg.Med.Chem.Lett., 26, 2016
|
|
6QWV
 | | SARM1 SAM1-2 domains | | Descriptor: | 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Sporny, M, Isupov, N.M, Opatowsky, Y. | | Deposit date: | 2019-03-06 | | Release date: | 2019-07-03 | | Last modified: | 2025-04-09 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Structural Evidence for an Octameric Ring Arrangement of SARM1.
J.Mol.Biol., 431, 2019
|
|
1B9Z
 | | BACILLUS CEREUS BETA-AMYLASE COMPLEXED WITH MALTOSE | | Descriptor: | ACETATE ION, CALCIUM ION, PROTEIN (BETA-AMYLASE), ... | | Authors: | Mikami, B, Adachi, M, Kage, T, Sarikaya, E, Nanmori, T, Shinke, R, Utsumi, S. | | Deposit date: | 1999-03-06 | | Release date: | 1999-03-15 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of raw starch-digesting Bacillus cereus beta-amylase complexed with maltose.
Biochemistry, 38, 1999
|
|
8J4V
 | |
8S3B
 | | Crystal structure of Medicago truncatula glutamate dehydrogenase 2 in complex with 3-(1H-Tetrazol-5-yl)benzoic acid and NAD | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-(1~{H}-1,2,3,4-tetrazol-5-yl)benzoic acid, ... | | Authors: | Grzechowiak, M, Ruszkowski, M. | | Deposit date: | 2024-02-19 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Legume-type glutamate dehydrogenase: Structure, activity, and inhibition studies.
Int.J.Biol.Macromol., 278, 2024
|
|
8RU4
 | | Crystal structure of Human Catenin Beta-1 in complex with stitched peptide inhibitor | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Axin-1, CHLORIDE ION, ... | | Authors: | Yeste Vazquez, A, Klintrot, C.I.R, Grossmann, T.N, Hennig, S. | | Deposit date: | 2024-01-30 | | Release date: | 2024-09-04 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Structure-Based Design of Bicyclic Helical Peptides That Target the Oncogene beta-Catenin.
Angew.Chem.Int.Ed.Engl., 63, 2024
|
|
7R0Y
 | | ATAD2 in complex with PepLite-Glu | | Descriptor: | (2~{S})-2-acetamido-~{N}-prop-2-enyl-pentanediamide, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ... | | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | | Deposit date: | 2022-02-02 | | Release date: | 2022-11-23 | | Last modified: | 2025-10-01 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
|
|
8RT0
 | | BTV-15 VP5 pH 6.0 | | Descriptor: | 1,2-ETHANEDIOL, Outer capsid protein VP5 | | Authors: | Stuart, D.I, Sutton, G.C. | | Deposit date: | 2024-01-25 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | The effect of pH on the structure of Bluetongue virus VP5.
J.Gen.Virol., 105, 2024
|
|
5GGS
 | | PD-1 in complex with pembrolizumab Fab | | Descriptor: | Programmed cell death protein 1, heavy chain, light chain | | Authors: | Heo, Y.S. | | Deposit date: | 2016-06-16 | | Release date: | 2016-11-09 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.997 Å) | | Cite: | Structural basis of checkpoint blockade by monoclonal antibodies in cancer immunotherapy
Nat Commun, 7, 2016
|
|
6GU8
 | | Glucuronoyl Esterase from Solibacter usitatus | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Putative acetyl xylan esterase | | Authors: | Lo Leggio, L, Larsbrink, J, Meland Knudsen, R, Mazurkewich, S, Navarro Poulsen, J.C. | | Deposit date: | 2018-06-19 | | Release date: | 2018-08-15 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.01807833 Å) | | Cite: | Biochemical and structural features of diverse bacterial glucuronoyl esterases facilitating recalcitrant biomass conversion.
Biotechnol Biofuels, 11, 2018
|
|
8AND
 | | Domain swapped dimer of smolstatin (stefin) from Sphaerospora molnari | | Descriptor: | 1,2-ETHANEDIOL, Smolstatin | | Authors: | Havlickova, P, Bartosova-Sojkova, P, Sojka, D, Kascakova, B, Gavira, J.A, Kuta Smatanova, I. | | Deposit date: | 2022-08-05 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.991 Å) | | Cite: | Domain swapped dimer of smolstatin (stefin) from Sphaerospora molnari
To Be Published
|
|
5GID
 | | Crystal structure of VDR in complex with DLAM-4 (C2 form) | | Descriptor: | (3R,5S)-5-[(2R)-2-[(1R,3aS,4E,7aR)-7a-methyl-4-[(2Z)-2-[(3S,5R)-2-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-3-methyl-3-oxidanyl-1-(4-phenylbutyl)pyrrolidin-2-one, SRC1, Vitamin D3 receptor | | Authors: | Asano, L, Shimizu, T. | | Deposit date: | 2016-06-23 | | Release date: | 2016-12-07 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.151 Å) | | Cite: | Regulation of the vitamin D receptor by vitamin D lactam derivatives.
Febs Lett., 590, 2016
|
|
