7S0Z
 
 | | Structures of TcdB in complex with R-Ras | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, AMMONIUM ION, ... | | Authors: | Zheng, L, Rongsheng, J, Peng, C. | | Deposit date: | 2021-08-31 | | Release date: | 2021-09-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Structural basis for selective modification of Rho and Ras GTPases by Clostridioides difficile toxin B.
Sci Adv, 7, 2021
|
|
7MGL
 | | Structure of human TRPML1 with ML-SI3 | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, Mucolipin-1, N-{(1S,2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl}benzenesulfonamide | | Authors: | Schmiege, P, Li, X. | | Deposit date: | 2021-04-12 | | Release date: | 2021-06-16 | | Last modified: | 2025-05-14 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Atomic insights into ML-SI3 mediated human TRPML1 inhibition.
Structure, 29, 2021
|
|
9GNF
 | |
7ZZI
 | | Plasmodium falciparum hexokinase complexed with glucose and citrate | | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, Phosphotransferase, ... | | Authors: | Fritz-Wolf, K, Dillenberger, M, Rahlfs, S, Becker, K. | | Deposit date: | 2022-05-25 | | Release date: | 2023-08-30 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural Analysis of Plasmodium falciparum Hexokinase Provides Novel Information about Catalysis Due to a Plasmodium -Specific Insertion.
Int J Mol Sci, 24, 2023
|
|
7BYU
 | | Crystal structure of Acidovorax avenae L-fucose mutarotase (apo form) | | Descriptor: | 1,2-ETHANEDIOL, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, L-fucose mutarotase | | Authors: | Watanabe, Y, Fukui, Y, Watanabe, S. | | Deposit date: | 2020-04-24 | | Release date: | 2020-05-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.206 Å) | | Cite: | Functional and structural characterization of a novel L-fucose mutarotase involved in non-phosphorylative pathway of L-fucose metabolism.
Biochem.Biophys.Res.Commun., 528, 2020
|
|
6VUG
 | |
8DEA
 | |
8FS1
 | | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor 11a (YD905) | | Descriptor: | 1,2-ETHANEDIOL, 5'-S-{2-[N'-(cyclohexylmethyl)carbamimidamido]ethyl}-N-(3-phenylpropyl)-5'-thioadenosine, DNA (5'-D(*AP*TP*GP*GP*GP*AP*CP*TP*TP*TP*TP*TP*GP*A)-3'), ... | | Authors: | Zhou, J, Horton, J.R, Cheng, X. | | Deposit date: | 2023-01-09 | | Release date: | 2023-05-10 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Comparative Study of Adenosine Analogs as Inhibitors of Protein Arginine Methyltransferases and a Clostridioides difficile- Specific DNA Adenine Methyltransferase.
Acs Chem.Biol., 18, 2023
|
|
6INR
 | | The crystal structure of phytoplasmal effector causing phyllody symptoms 1 (PHYL1) | | Descriptor: | CADMIUM ION, Putative effector, AYWB SAP54-like protein | | Authors: | Liao, Y.T, Lin, S.S, Ko, T.P, Wang, H.C. | | Deposit date: | 2018-10-26 | | Release date: | 2019-07-31 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Structural insights into the interaction between phytoplasmal effector causing phyllody 1 and MADS transcription factors.
Plant J., 100, 2019
|
|
7RLJ
 | | Cryo-EM structure of human p97 bound to CB-5083 and ATPgS. | | Descriptor: | 1-[4-(benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | | Authors: | Caffrey, B, Zhu, X, Berezuk, A, Tuttle, K, Chittori, S, Subramaniam, S. | | Deposit date: | 2021-07-23 | | Release date: | 2021-09-22 | | Last modified: | 2025-06-11 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | AAA+ ATPase p97/VCP mutants and inhibitor binding disrupt inter-domain coupling and subsequent allosteric activation.
J.Biol.Chem., 297, 2021
|
|
7RLI
 | | Cryo-EM structure of human p97 bound to CB-5083 and ADP. | | Descriptor: | 1-[4-(benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide, ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | | Authors: | Caffrey, B, Zhu, X, Berezuk, A, Tuttle, K, Chittori, S, Subramaniam, S. | | Deposit date: | 2021-07-23 | | Release date: | 2021-09-22 | | Last modified: | 2025-06-11 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | AAA+ ATPase p97/VCP mutants and inhibitor binding disrupt inter-domain coupling and subsequent allosteric activation.
J.Biol.Chem., 297, 2021
|
|
8A07
 | |
8DU1
 | |
5NFQ
 | | Novel epoxide hydrolases belonging to the alpha/beta hydrolases superfamily in metagenomes from hot environments | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, IMIDAZOLE, ... | | Authors: | Ferrandi, E.E, De Rose, S.A, Sayer, C, Guazzelli, E, Marchesi, C, Saneei, V, Isupov, M.N, Littlechild, J.A, Monti, D. | | Deposit date: | 2017-03-15 | | Release date: | 2018-05-16 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | New Thermophilic alpha / beta Class Epoxide Hydrolases Found in Metagenomes From Hot Environments.
Front Bioeng Biotechnol, 6, 2018
|
|
4RIR
 | | Structural Analysis of the Unmutated Ancestor of the HIV-1 Envelope V2 Region Antibody CH58 Isolated From an RV144 HIV-1 Vaccine Efficacy Trial Vaccinee and Associated with Decreased Transmission Risk | | Descriptor: | CH58-UA Fab heavy chain, CH58-UA Fab light chain | | Authors: | Nicely, N.I, Wiehe, K, Kepler, T.B, Jaeger, F.H, Dennison, S.M, Liao, H.-X, Alam, S.M, Hwang, K.-K, Bonsignori, M, Rerks-Ngarm, S, Nitayaphan, S, Pitisuttithum, P, Kaewkungwal, J, Robb, M.L, O'Connell, R.J, Michael, N.L, Kim, J.H, Haynes, B.F. | | Deposit date: | 2014-10-07 | | Release date: | 2015-08-12 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural analysis of the unmutated ancestor of the HIV-1 envelope V2 region antibody CH58 isolated from an RV144 vaccine efficacy trial vaccinee.
EBioMedicine, 2, 2015
|
|
6W4R
 | | Structure of Tdp1 catalytic domain in complex with inhibitor XZ633p | | Descriptor: | 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, 4-{[2-(2-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino}benzene-1,2-dicarboxylic acid, ... | | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R, Waugh, D.S. | | Deposit date: | 2020-03-11 | | Release date: | 2021-03-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.819 Å) | | Cite: | Tdp1 catalytic domain
To Be Published
|
|
6YMD
 | | Crystal structure of serine hydroxymethyltransferase from Aphanothece halophytica in the covalent complex with malonate | | Descriptor: | 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, MALONATE ION, ... | | Authors: | Ruszkowski, M, Sekula, B, Nogues, I, Tramonti, A, Angelaccio, S, Contestabile, R. | | Deposit date: | 2020-04-08 | | Release date: | 2020-06-03 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Structural and kinetic properties of serine hydroxymethyltransferase from the halophytic cyanobacterium Aphanothece halophytica provide a rationale for salt tolerance.
Int.J.Biol.Macromol., 159, 2020
|
|
9DQA
 | | Crystal structure of bovine RPE65 in complex with EYE-002 | | Descriptor: | 3-[(1R)-3-amino-1-hydroxypropyl]phenyl 2-ethylbutanoate, FE (II) ION, PALMITIC ACID, ... | | Authors: | Kiser, P.D, Bassetto, M. | | Deposit date: | 2024-09-23 | | Release date: | 2025-09-03 | | Last modified: | 2025-09-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Rationally Designed, Short-Acting RPE65 Inhibitors for Visual Cycle-Associated Retinopathies.
J.Med.Chem., 68, 2025
|
|
6EE9
 | |
1E06
 | | Porcine Odorant Binding Protein Complexed with 5-methyl-2-(1-methylethyl)phenol | | Descriptor: | 5-METHYL-2-(1-METHYLETHYL)PHENOL, ODORANT-BINDING PROTEIN | | Authors: | Vincent, F, Spinelli, S, Cambillau, C, Tegoni, M. | | Deposit date: | 2000-03-10 | | Release date: | 2000-12-06 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Complexes of Porcine Odorant Binding Protein with Odorant Molecules Belonging to Different Chemical Classes
J.Mol.Biol., 300, 2000
|
|
8FS2
 | | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor 11b (YD907) | | Descriptor: | 1,2-ETHANEDIOL, 5'-S-{3-[N'-(cyclohexylmethyl)carbamimidamido]propyl}-N-(3-phenylpropyl)-5'-thioadenosine, DNA (5'-D(*TP*TP*CP*AP*AP*AP*AP*AP*GP*TP*CP*CP*CP*A)-3'), ... | | Authors: | Zhou, J, Horton, J.R, Cheng, X. | | Deposit date: | 2023-01-09 | | Release date: | 2023-05-10 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Comparative Study of Adenosine Analogs as Inhibitors of Protein Arginine Methyltransferases and a Clostridioides difficile- Specific DNA Adenine Methyltransferase.
Acs Chem.Biol., 18, 2023
|
|
8FXI
 | | Cryo-EM structure of Stanieria sp. CphA2 in complex with ADPCP and 4x(beta-Asp-Arg) | | Descriptor: | 1-[(4-aminopyrimidin-5-yl)amino]-2,5-anhydro-1-deoxy-6-O-[(S)-hydroxy{[(R)-hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl]-D-allitol, 4x(beta-Asp-Arg), MAGNESIUM ION, ... | | Authors: | Markus, L.M, Sharon, I, Strauss, M, Schmeing, T.M. | | Deposit date: | 2023-01-24 | | Release date: | 2023-06-14 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Structure and function of a hexameric cyanophycin synthetase 2.
Protein Sci., 32, 2023
|
|
6YQ9
 | | Taka-amylase in complex with alpha-glucosyl epi-cyclophellitol epoxide inhibitor | | Descriptor: | (1R,2R,3S,5R,6S)-2,3,5-trihydroxy-6-(hydroxymethyl)cyclohexyl alpha-D-glucopyranoside, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Armstrong, Z, Chen, Y, Artola, M, Overkleeft, H, Davies, G. | | Deposit date: | 2020-04-16 | | Release date: | 2021-02-10 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Activity-Based Protein Profiling of Retaining alpha-Amylases in Complex Biological Samples.
J.Am.Chem.Soc., 143, 2021
|
|
8AQL
 | | High-resolution crystal structure of human SHMT2 | | Descriptor: | 1,2-ETHANEDIOL, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], Serine hydroxymethyltransferase, ... | | Authors: | Tran, L.H, Ruszkowski, M. | | Deposit date: | 2022-08-12 | | Release date: | 2022-10-05 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.23 Å) | | Cite: | High-resolution crystal structure of human SHMT2
To Be Published
|
|
9DGP
 | |
