7REX
| |
7R9W
| LC3A in complex with Fragment 1-1 | Descriptor: | 4-phenoxybenzoic acid, GLYCEROL, Microtubule-associated proteins 1A/1B light chain 3A | Authors: | Rouge, L, Steffek, M, Helgason, E, Dueber, E, Mulvihill, M. | Deposit date: | 2021-06-29 | Release date: | 2022-01-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A Multifaceted Hit-Finding Approach Reveals Novel LC3 Family Ligands. Biochemistry, 62, 2023
|
|
7R9Z
| LC3A in complex with Fragment 2-3 | Descriptor: | (5-fluoro-1H-indol-3-yl)acetic acid, Microtubule-associated proteins 1A/1B light chain 3A | Authors: | Rouge, L, Steffek, M, Helgason, E, Dueber, E, Mulvihill, M. | Deposit date: | 2021-06-29 | Release date: | 2022-01-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | A Multifaceted Hit-Finding Approach Reveals Novel LC3 Family Ligands. Biochemistry, 62, 2023
|
|
7UN0
| Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-chloro-5,6-dihydrobenzo[h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor | Descriptor: | 1-[(9-chlorobenzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one, Dual specificity protein phosphatase 10 | Authors: | Gannam, Z.T.K, Jamali, H, Lolis, E, Anderson, K.S, Ellman, J.A, Bennett, A.M. | Deposit date: | 2022-04-08 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Defining the structure-activity relationship for a novel class of allosteric MKP5 inhibitors. Eur.J.Med.Chem., 243, 2022
|
|
7A9A
| Crystal structure of rubredoxin B (Rv3250c) from Mycobacterium tuberculosis | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Vakhrameev, D, Kavaleuski, A, Bukhdruker, S, Marin, E, Sushko, T, Grabovec, I.P, Gilep, A, Strushkevich, N, Borshchevskiy, V. | Deposit date: | 2020-09-01 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | A new twist of rubredoxin function in M. tuberculosis. Bioorg.Chem., 109, 2021
|
|
7RA0
| LC3A in complex with Fragment 2-10 | Descriptor: | (5-ethyl-2-methyl-1H-indol-3-yl)acetic acid, Microtubule-associated proteins 1A/1B light chain 3A | Authors: | Rouge, L, Steffek, M, Helgason, E, Dueber, E, Mulvihill, M. | Deposit date: | 2021-06-29 | Release date: | 2022-01-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | A Multifaceted Hit-Finding Approach Reveals Novel LC3 Family Ligands. Biochemistry, 62, 2023
|
|
7AD6
| Crystal structure of human complement C5 in complex with the K92 bovine knob domain peptide. | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CYSTEINE, ... | Authors: | Macpherson, A, van den Elsen, J.M.H, Schulze, M.E, Birtley, J.R. | Deposit date: | 2020-09-14 | Release date: | 2021-03-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | The allosteric modulation of Complement C5 by knob domain peptides. Elife, 10, 2021
|
|
6ZPL
| Inward-open structure of human glycine transporter 1 in complex with a benzoylisoindoline inhibitor, sybody Sb_GlyT1#7 and bound Na and Cl ions. | Descriptor: | CHLORIDE ION, Endoglucanase H, SODIUM ION, ... | Authors: | Shahsavar, A, Stohler, P, Bourenkov, G, Zimmermann, I, Siegrist, M, Guba, W, Pinard, E, Sinning, S, Seeger, M.A, Schneider, T.R, Dawson, R.J.P, Nissen, P. | Deposit date: | 2020-07-08 | Release date: | 2021-03-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.945 Å) | Cite: | Structural insights into the inhibition of glycine reuptake. Nature, 591, 2021
|
|
7AD7
| Crystal structure of human complement C5 in complex with the K8 bovine knob domain peptide. | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Macpherson, A, van den Elsen, J.M.H, Schulze, M.E, Birtley, J.R. | Deposit date: | 2020-09-14 | Release date: | 2021-03-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The allosteric modulation of Complement C5 by knob domain peptides. Elife, 10, 2021
|
|
8BET
| |
7UN4
| Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor | Descriptor: | 1-{[(9aM)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]sulfanyl}-3,3-dimethylbutan-2-one, Dual specificity protein phosphatase 10 | Authors: | Gannam, Z.T.K, Jamali, H, Lolis, E, Anderson, K.S, Ellman, J.A, Bennett, A.M. | Deposit date: | 2022-04-08 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Defining the structure-activity relationship for a novel class of allosteric MKP5 inhibitors. Eur.J.Med.Chem., 243, 2022
|
|
8TZX
| Ternary complex structure of Cereblon-DDB1 bound to WIZ(ZF7) and the molecular glue dWIZ-1 | Descriptor: | (3S)-3-(5-{(1R)-1-[(2R)-1-ethylpiperidin-2-yl]ethoxy}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)piperidine-2,6-dione, 1,2-ETHANEDIOL, DNA damage-binding protein 1, ... | Authors: | Clifton, M.C, Ma, X, Ornelas, E. | Deposit date: | 2023-08-28 | Release date: | 2024-07-10 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | A molecular glue degrader of the WIZ transcription factor for fetal hemoglobin induction. Science, 385, 2024
|
|
8BES
| |
5LY2
| JMJD2A/ KDM4A COMPLEXED WITH NI(II), NOG AND Macrocyclic PEPTIDE Inhibitor CP2_R6Kme3 (13-mer) | Descriptor: | CHLORIDE ION, CP2_R6Kme3, GLYCEROL, ... | Authors: | Chowdhury, R, Madden, S.K, Hopkinson, R, Schofield, C.J. | Deposit date: | 2016-09-23 | Release date: | 2017-04-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Highly selective inhibition of histone demethylases by de novo macrocyclic peptides. Nat Commun, 8, 2017
|
|
6PLZ
| CryoEM structure of zebra fish alpha-1 glycine receptor bound with GABA in SMA, closed state | Descriptor: | GAMMA-AMINO-BUTANOIC ACID, Glycine receptor subunit alphaZ1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Yu, J, Zhu, H, Gouaux, E. | Deposit date: | 2019-07-01 | Release date: | 2021-01-06 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Mechanism of gating and partial agonist action in the glycine receptor. Cell, 184, 2021
|
|
8BEQ
| Structure of fructofuranosidase from Rhodotorula dairenensis | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Jimenez-Ortega, E, Sanz-Aparicio, J. | Deposit date: | 2022-10-21 | Release date: | 2022-12-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Insights into the Structure of the Highly Glycosylated Ffase from Rhodotorula dairenensis Enhance Its Biotechnological Potential. Int J Mol Sci, 23, 2022
|
|
8BEU
| |
5K97
| Flap endonuclease 1 (FEN1) D233N with cleaved product fragment and Sm3+ | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*CP*CP*GP*TP*CP*C)-3'), DNA (5'-D(*AP*CP*TP*CP*TP*GP*CP*CP*TP*CP*AP*AP*GP*AP*CP*GP*GP*T)-3'), ... | Authors: | Tsutakawa, S.E, Arvai, A.S, Tainer, J.A. | Deposit date: | 2016-05-31 | Release date: | 2017-06-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.102 Å) | Cite: | Phosphate steering by Flap Endonuclease 1 promotes 5'-flap specificity and incision to prevent genome instability. Nat Commun, 8, 2017
|
|
7UAV
| Structure of Clostridium botulinum prophage Tad1 in apo state | Descriptor: | ABC transporter ATPase | Authors: | Lu, A, Leavitt, A, Yirmiya, E, Amitai, G, Garb, J, Morehouse, B.R, Hobbs, S.J, Sorek, R, Kranzusch, P.J. | Deposit date: | 2022-03-14 | Release date: | 2022-10-05 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Viruses inhibit TIR gcADPR signalling to overcome bacterial defence. Nature, 611, 2022
|
|
8BTZ
| |
8BV0
| Binary complex between the NB-ARC domain from the Tomato immune receptor NRC1 and the SPRY domain-containing effector SS15 from the potato cyst nematode | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, NRC1, Truncated secreted SPRY domain-containing protein 15 (Fragment) | Authors: | Contreras, M.P, Pai, H, Muniyandi, S, Toghani, A, Lawson, D.M, Tumtas, Y, Duggan, C, Yuen, E.L.H, Stevenson, C.E.M, Harant, A, Wu, C.H, Bozkurt, T.O, Kamoun, S, Derevnina, L. | Deposit date: | 2022-12-01 | Release date: | 2022-12-21 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (4.5 Å) | Cite: | Resurrection of plant disease resistance proteins via helper NLR bioengineering. Sci Adv, 9, 2023
|
|
7UMU
| Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((5,6-dihydrobenzo[h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor | Descriptor: | 1-[(benzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Dual specificity protein phosphatase 10 | Authors: | Gannam, Z.T.K, Jamali, H, Lolis, E, Anderson, K.S, Ellman, J.A, Bennett, A.M. | Deposit date: | 2022-04-07 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Defining the structure-activity relationship for a novel class of allosteric MKP5 inhibitors. Eur.J.Med.Chem., 243, 2022
|
|
6PLY
| CryoEM structure of zebra fish alpha-1 glycine receptor bound with GABA in SMA, open state | Descriptor: | GAMMA-AMINO-BUTANOIC ACID, Glycine receptor subunit alphaZ1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Yu, J, Zhu, H, Gouaux, E. | Deposit date: | 2019-07-01 | Release date: | 2021-01-06 | Last modified: | 2024-10-09 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Mechanism of gating and partial agonist action in the glycine receptor. Cell, 184, 2021
|
|
8P0V
| Structure of the human Commander complex coiled coils, DENND10 and partial Retriever subcomplex | Descriptor: | Coiled-coil domain-containing protein 22, Coiled-coil domain-containing protein 93, DENN domain-containing protein 10, ... | Authors: | Kumpula, E.P, Laulumaa, S, Huiskonen, J.T. | Deposit date: | 2023-05-10 | Release date: | 2024-03-20 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (6.5 Å) | Cite: | Structure and interactions of the endogenous human Commander complex. Nat.Struct.Mol.Biol., 31, 2024
|
|
6ZOD
| Fusidic acid binding to the allosteric deep transmembrane domain binding pocket, TM7/TM8 groove, and TM1/TM2 groove of the fully induced AcrB T protomer | Descriptor: | 1,2-ETHANEDIOL, DARPIN, DECANE, ... | Authors: | Oswald, C, Tam, H.K, Pos, K.M. | Deposit date: | 2020-07-07 | Release date: | 2021-05-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Allosteric drug transport mechanism of multidrug transporter AcrB. Nat Commun, 12, 2021
|
|