8OQZ
 
 | | Structure of human gamma-secretase PSEN1 APH-1B isoform reconstituted into lipid nanodisc in complex with Ab46 | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Odorcic, I, Chavez Gutierrez, L, Efremov, R.G. | | Deposit date: | 2023-04-12 | | Release date: | 2024-04-24 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Apo and A beta 46-bound gamma-secretase structures provide insights into amyloid-beta processing by the APH-1B isoform.
Nat Commun, 15, 2024
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9E2T
 | | Structure of a de novo designed interleukin-21 mimetic complex with IL-21R and IL-2Rg | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 21h10, ... | | Authors: | Abhiraman, G.C, Jude, K.M, Garcia, K.C. | | Deposit date: | 2024-10-22 | | Release date: | 2025-09-24 | | Last modified: | 2025-10-08 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Design of a potent interleukin-21 mimic for cancer immunotherapy.
Sci Immunol, 10, 2025
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8IHW
 | | X-ray crystal structure of D43R mutant of endo-1,4-beta glucanase from Eisenia fetida | | Descriptor: | CALCIUM ION, Endoglucanase, GLYCEROL, ... | | Authors: | Kuroki, C, Hirano, Y, Nakazawa, M, Sakamoto, T, Tamada, T, Ueda, M. | | Deposit date: | 2023-02-24 | | Release date: | 2023-12-06 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A single mutation Asp43Arg was increased 2.5-fold the catalytic activity and maintained the stability of cold-adapted endo-1,4-beta glucanase (Ef-EG2) from Eisenia fetida.
Curr Res Biotechnol, 5, 2023
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8IHX
 | | X-ray crystal structure of N372D mutant of endo-1,4-beta glucanase from Eisenia fetida | | Descriptor: | CALCIUM ION, Endoglucanase, GLYCEROL, ... | | Authors: | Kuroki, C, Hirano, Y, Nakazawa, M, Sakamoto, T, Tamada, T, Ueda, M. | | Deposit date: | 2023-02-24 | | Release date: | 2023-12-06 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A single mutation Asp43Arg was increased 2.5-fold the catalytic activity and maintained the stability of cold-adapted endo-1,4-beta glucanase (Ef-EG2) from Eisenia fetida.
Curr Res Biotechnol, 5, 2023
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8XOY
 | | The Crystal Structure of PTP1B from Biortus. | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | | Authors: | Wang, F, Cheng, W, Lv, Z, Meng, Q, Li, J. | | Deposit date: | 2024-01-02 | | Release date: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | The Crystal Structure of PTP1B from Biortus.
To Be Published
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8P58
 | | Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 500 micromolar X77 enantiomer R. | | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ... | | Authors: | Costanzi, E, Demitri, N, Storici, P. | | Deposit date: | 2023-05-23 | | Release date: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease.
J.Chem.Inf.Model., 64, 2024
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5GZP
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5NME
 | | 868 TCR in complex with HLA A02 presenting SLYNTVATL | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | | Authors: | Rizkallah, P.J, Cole, D.K, Fuller, A, Sewell, A.K. | | Deposit date: | 2017-04-05 | | Release date: | 2017-11-15 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.94 Å) | | Cite: | Dual Molecular Mechanisms Govern Escape at Immunodominant HLA A2-Restricted HIV Epitope.
Front Immunol, 8, 2017
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8IGI
 | | Crystal structure of HP1526 (XthA)- a base excision DNA repair protein in Helicobacter pylori | | Descriptor: | 1,3-BUTANEDIOL, Exodeoxyribonuclease (LexA), MANGANESE (II) ION | | Authors: | Dinh, T.T, Dao, O, Lee, K.H. | | Deposit date: | 2023-02-20 | | Release date: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Crystal structure of the apurinic/apyrimidinic endonuclease XthA (HP1526 protein) from Helicobacter pylori.
Biochem.Biophys.Res.Commun., 663, 2023
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7MW5
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8DBL
 | | Human PRPS1 with Phosphate and PRPP; Hexamer | | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Hvorecny, K.L, Kollman, J.M. | | Deposit date: | 2022-06-14 | | Release date: | 2023-02-15 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (2.4 Å) | | Cite: | Human PRPS1 filaments stabilize allosteric sites to regulate activity.
Nat.Struct.Mol.Biol., 30, 2023
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8DBK
 | | Human PRPS1 with Phosphate, ATP, and R5P; Hexamer with resolved catalytic loops | | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 5-O-phosphono-alpha-D-ribofuranose, ADENOSINE MONOPHOSPHATE, ... | | Authors: | Hvorecny, K.L, Kollman, J.M. | | Deposit date: | 2022-06-14 | | Release date: | 2023-02-15 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (2.1 Å) | | Cite: | Human PRPS1 filaments stabilize allosteric sites to regulate activity.
Nat.Struct.Mol.Biol., 30, 2023
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8DBM
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6AYM
 | | Crystal structure of Campylobacter jejuni 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) | | Descriptor: | 1,2-ETHANEDIOL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase | | Authors: | Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L. | | Deposit date: | 2017-09-08 | | Release date: | 2018-09-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Transition-State Analogues of Campylobacter jejuni 5'-Methylthioadenosine Nucleosidase.
ACS Chem. Biol., 13, 2018
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8SCA
 | | Rec3 Domain from S. pyogenes Cas9 | | Descriptor: | 1,2-ETHANEDIOL, CRISPR-associated endonuclease Cas9/Csn1 | | Authors: | D'Ordine, A.M, Skeens, E, Lisi, G.P, Jogl, G. | | Deposit date: | 2023-04-05 | | Release date: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | High-fidelity, hyper-accurate, and evolved mutants rewire atomic-level communication in CRISPR-Cas9.
Sci Adv, 10, 2024
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5KMD
 | | Structure of CavAb in complex with amlodipine | | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, Ion transport protein, ... | | Authors: | Tang, L, Gamal EL-Din, T.M, Swanson, T.M, Pryde, D.C, Scheuer, T, Zheng, N, Catterall, W.A. | | Deposit date: | 2016-06-26 | | Release date: | 2016-08-31 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural basis for inhibition of a voltage-gated Ca(2+) channel by Ca(2+) antagonist drugs.
Nature, 537, 2016
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8AT8
 | | Structure of coproporphyrin III-LmCpfC | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ... | | Authors: | Gabler, T, Hofbauer, S. | | Deposit date: | 2022-08-22 | | Release date: | 2022-12-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Active site architecture of coproporphyrin ferrochelatase with its physiological substrate coproporphyrin III: Propionate interactions and porphyrin core deformation.
Protein Sci., 32, 2023
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4RWF
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8BBV
 | | Coproporphyrin III - LmCpfC complex soaked 2min with Fe2+ | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Coproporphyrin III ferrochelatase, ... | | Authors: | Gabler, T, Hofbauer, S. | | Deposit date: | 2022-10-14 | | Release date: | 2023-01-11 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Iron insertion into coproporphyrin III-ferrochelatase complex: Evidence for an intermediate distorted catalytic species.
Protein Sci., 32, 2023
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5L8J
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9F0G
 | | LmCpfC H182A variant in complex with iron coproporhyrin III | | Descriptor: | 1,2-ETHANEDIOL, 1,3,5,8-TETRAMETHYL-PORPHINE-2,4,6,7-TETRAPROPIONIC ACID FERROUS COMPLEX, CALCIUM ION, ... | | Authors: | Gabler, T, Hofbauer, S. | | Deposit date: | 2024-04-16 | | Release date: | 2024-04-24 | | Last modified: | 2025-01-15 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Entrance channels to coproheme in coproporphyrin ferrochelatase probed by exogenous imidazole binding.
J.Inorg.Biochem., 260, 2024
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5H23
 | | Crystal structure of Chikungunya virus capsid protein | | Descriptor: | 1,2-ETHANEDIOL, Capsid Protein, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Sharma, R, Kesari, P, Tomar, S, Kumar, P. | | Deposit date: | 2016-10-14 | | Release date: | 2018-03-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure-function insights into chikungunya virus capsid protein: Small molecules targeting capsid hydrophobic pocket.
Virology, 515, 2018
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9F0F
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9EUN
 | | SARS-CoV-2 nsp10-16 methyltransferase in complex with SAM and m7GTP | | Descriptor: | 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | Authors: | Kremling, V, Sprenger, J, Oberthuer, D, Scheer, T.E.S. | | Deposit date: | 2024-03-27 | | Release date: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | SARS-CoV-2 methyltransferase nsp10-16 in complex with natural and drug-like purine analogs for guiding structure-based drug development
To Be Published
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6YH8
 | | Crystal structure of chimeric carbonic anhydrase XII with 2-[(1S)-1,2,3,4-Tetrahydronapthalen-1-ylamino)-3,5,6-trifluorobenzenesulfonamide | | Descriptor: | 2-[(1S)-1,2,3,4-Tetrahydronapthalen-1-ylamino)-3,5,6-trifluorobenzenesulfonamide, BICINE, Carbonic anhydrase 2, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2020-03-28 | | Release date: | 2021-04-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Switching the Inhibitor-Enzyme Recognition Profile via Chimeric Carbonic Anhydrase XII.
Chemistryopen, 10, 2021
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