8U3L
 
 | | TRPV1 in nanodisc bound with empty vanilloid binding pocket at 25C | | Descriptor: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, SODIUM ION, Transient receptor potential cation channel subfamily V member 1 | | Authors: | Arnold, W.R, Julius, D, Cheng, Y. | | Deposit date: | 2023-09-07 | | Release date: | 2024-05-08 | | Last modified: | 2025-06-04 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structural basis of TRPV1 modulation by endogenous bioactive lipids.
Nat.Struct.Mol.Biol., 31, 2024
|
|
8B2G
 | | SH3-like domain from Penicillium virgatum muramidase | | Descriptor: | 1,2-ETHANEDIOL, SH3b domain-containing protein, ZINC ION | | Authors: | Moroz, O.V, Blagova, E, Lebedev, A.A, Skov, L.K, Pache, R.A, Schnorr, K.M, Kiemer, L, Nymand-Grarup, S, Ming, L, Ye, L, Klausen, M, Cohn, M.T, Schmidt, E.G.W, Davies, G.J, Wilson, K.S. | | Deposit date: | 2022-09-13 | | Release date: | 2023-07-19 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Module walking using an SH3-like cell-wall-binding domain leads to a new GH184 family of muramidases.
Acta Crystallogr D Struct Biol, 79, 2023
|
|
8YT9
 | | Human PPAR alpha ligand binding domain in complex with a 1H-pyrazolo[3,4-b]pyridine-derived compound | | Descriptor: | 1-(4-fluorophenyl)-6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pentan-3-yl-pyrazolo[3,4-b]pyridine-4-carboxylic acid, Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha | | Authors: | Tachibana, K, Morie, T, Fukuda, S, Yuzuriha, T, Ishimoto, K, Nunomura, K, Lin, B, Miyachi, H, Oki, H, Kawahara, K, Meguro, K, Nakagawa, S, Tsujikawa, K, Akai, S, Doi, T, Yoshida, T. | | Deposit date: | 2024-03-25 | | Release date: | 2025-04-02 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Structural evolution of 1H-pyrazolo[3,4-b]pyridine-derived PPARalpha activators as leads for nonalcoholic steatohepatitis
To Be Published
|
|
7V2J
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor 33 | | Descriptor: | Bromodomain-containing protein 4, ~{N}-(3-ethyl-6-methoxy-1,2-benzoxazol-5-yl)-4-methoxy-benzenesulfonamide | | Authors: | Zhang, M, Wang, C, Zhang, C, Zhang, Y, Xu, Y. | | Deposit date: | 2021-08-09 | | Release date: | 2022-08-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Design, synthesis and pharmacological characterization of N-(3-ethylbenzo[d]isoxazol-5-yl) sulfonamide derivatives as BRD4 inhibitors against acute myeloid leukemia.
Acta Pharmacol.Sin., 43, 2022
|
|
8KGW
 | | Molecular mechanism of prostaglandin transporter SLCO2A1 | | Descriptor: | (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid, Solute carrier organic anion transporter family member 2A1 | | Authors: | Li, Y.H, Qu, Q.H, Zhu, Z.N, Chao, Y.L, Zhou, Z.X. | | Deposit date: | 2023-08-19 | | Release date: | 2024-09-04 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (2.96 Å) | | Cite: | Molecular mechanism of prostaglandin transporter SLCO2A1
To Be Published
|
|
8YUH
 | | X-ray Crystal structure of glycoside hydrolase family 18 chitinase from Serratia marcescens hexahistigine-tagged SmChiB with allosamidin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-allopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-allopyranose, ACETATE ION, ALLOSAMIZOLINE, ... | | Authors: | Ebi, S, Sunagawa, N, Yamaguchi, S, Igarashi, K. | | Deposit date: | 2024-03-27 | | Release date: | 2025-04-02 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | X-ray Crystal structure of glycoside hydrolase family 18 chitinase from Serratia marcescens hexahistigine-tagged SmChiB with allosamidin
To Be Published
|
|
8DGM
 | | 14-3-3 epsilon bound to phosphorylated PEAK1 (pT1165) peptide | | Descriptor: | 1,2-ETHANEDIOL, 14-3-3 protein epsilon, Inactive tyrosine-protein kinase PEAK1 | | Authors: | Roy, M.J, Hardy, J.M, Lucet, I.S. | | Deposit date: | 2022-06-24 | | Release date: | 2023-06-07 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural mapping of PEAK pseudokinase interactions identifies 14-3-3 as a molecular switch for PEAK3 signaling.
Nat Commun, 14, 2023
|
|
4BEI
 | | V. cholera biofilm scaffolding protein RbmA in complex with 18-crown- 6 | | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, DI(HYDROXYETHYL)ETHER, RBMA | | Authors: | Maestre-Reyna, M, Wang, A.H.-J. | | Deposit date: | 2013-03-11 | | Release date: | 2013-12-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural Insights Into Rbma, a Biofilm Scaffolding Protein of V. Cholerae.
Plos One, 8, 2013
|
|
5YH4
 | | Miraculin-like protein from Vitis vinifera | | Descriptor: | 1,2-ETHANEDIOL, mirauclin-like protein | | Authors: | Shimizu-Ibuka, A, Furukawa, N. | | Deposit date: | 2017-09-27 | | Release date: | 2018-10-03 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structural and functional analysis of miraculin-like protein from Vitis vinifera.
Biochim Biophys Acta Proteins Proteom, 1866, 2018
|
|
4R9M
 | | Crystal structure of spermidine N-acetyltransferase from Escherichia coli | | Descriptor: | MAGNESIUM ION, Spermidine N(1)-acetyltransferase | | Authors: | Filippova, E.V, Minasov, G, Kiryukhina, O, Shuvalova, L, Grimshaw, S, Wolfe, A.J, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2014-09-05 | | Release date: | 2014-11-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Analysis of crystalline and solution states of ligand-free spermidine N-acetyltransferase (SpeG) from Escherichia coli.
Acta Crystallogr D Struct Biol, 75, 2019
|
|
8FJP
 | | Cryo-EM structure of native mosquito salivary gland surface protein 1 (SGS1) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, salivary gland surface protein 1 | | Authors: | Liu, S, Xia, X, Calvo, E, Zhou, Z.H. | | Deposit date: | 2022-12-20 | | Release date: | 2023-03-01 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Native structure of mosquito salivary protein uncovers domains relevant to pathogen transmission.
Nat Commun, 14, 2023
|
|
9FXG
 | | Crystal structure of double mutant Y115E Y117E human Glutaminyl Cyclase in apo-state | | Descriptor: | 1,2-ETHANEDIOL, Glutaminyl-peptide cyclotransferase, SULFATE ION | | Authors: | Tassone, G, Pozzi, C, Mangani, S. | | Deposit date: | 2024-07-01 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Metal Ion Binding to Human Glutaminyl Cyclase: A Structural Perspective.
Int J Mol Sci, 25, 2024
|
|
9P4S
 | | HmuS heme dechelatase: disordered domain 1, heme free. | | Descriptor: | HmuS heme dechelatase, SODIUM ION | | Authors: | Gauvin, C.C, Nath, A.K, Rodrigues da Silva, R, Akpoto, E, Dubois, J.L, Lawrence, C.M. | | Deposit date: | 2025-06-17 | | Release date: | 2025-09-24 | | Method: | ELECTRON MICROSCOPY (2.55 Å) | | Cite: | HmuS Heme Dechelatase: Disordered Domain 1, Heme Free
To Be Published
|
|
8AGA
 | | Structure of p-hydroxy benzoic acid ligand bound HosA transcriptional regulator from enteropathogenic Escherichia coli O127:H6 (strain E2348/69) | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, P-HYDROXYBENZOIC ACID, ... | | Authors: | Goswami, A, Kannika, B.R, Madan Kumar, S. | | Deposit date: | 2022-07-19 | | Release date: | 2023-08-02 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Horizontally acquired HosA transcription factor bound with 4-hydroxy-benzoic acid exhibits unique tug-of-water dynamics
Biorxiv, 2024
|
|
6B25
 | |
8SI2
 | | Cryo-EM structure of TRPM7 in MSP2N2 nanodisc in apo state | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, CHOLESTEROL, ... | | Authors: | Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I. | | Deposit date: | 2023-04-14 | | Release date: | 2023-05-17 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (2.19 Å) | | Cite: | Structural mechanisms of TRPM7 activation and inhibition.
Nat Commun, 14, 2023
|
|
8I5P
 | |
9KRF
 | |
1QCH
 | |
8I5Q
 | |
9KTO
 | |
8ZBH
 | | Crystal structure of TEAD3 YAP binding domain with compound 3 | | Descriptor: | 1-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1~{H}-isoquinolin-2-yl]propan-1-one, Transcriptional enhancer factor TEF-5 | | Authors: | Yoo, Y, Kim, H. | | Deposit date: | 2024-04-26 | | Release date: | 2025-04-16 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Pan-Transcriptional Enhanced Associated Domain Palmitoylation Pocket Covalent Inhibitor.
J.Med.Chem., 67, 2024
|
|
8AON
 | |
5FXZ
 | | Crystal structure of JmjC domain of human histone demethylase UTY in complex with citrate | | Descriptor: | 1,2-ETHANEDIOL, CITRATE ANION, HISTONE DEMETHYLASE UTY, ... | | Authors: | Nowak, R, Krojer, T, Johansson, C, Gileadi, C, Kupinska, K, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U. | | Deposit date: | 2016-03-03 | | Release date: | 2016-03-16 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Crystal Structure of Jmjc Domain of Human Histone Demethylase Uty in Complex with Citrate
To be Published
|
|
6YGR
 | | tRNA-guanine Transglycosylase (TGT) in co-crystallized complex with 6-Amino-4-(2-phenylethyl)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | | Descriptor: | 6-AMINO-4-(2-PHENYLETHYL)-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE, Queuine tRNA-ribosyltransferase, ZINC ION | | Authors: | Nguyen, A, Heine, A, Klebe, G. | | Deposit date: | 2020-03-27 | | Release date: | 2020-04-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Co-crystallization and nanoESI-MS reveal dimer disturbing inhibitors and conformational changes at dimer contacts
To Be Published
|
|
