8P54
| Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 150 micromolar MG-132. | 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 (1.6 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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8BBU
| Crystal structure of medical leech destabilase (high salt) | Descriptor: | GLYCEROL, Lysozyme, MALONATE ION, ... | Authors: | Marin, E, Bukhdruker, S, Manuvera, V, Kornilov, D, Zinovev, E, Bobrovsky, P, Lazarev, V, Borshchevskiy, V. | Deposit date: | 2022-10-14 | Release date: | 2023-02-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Structural insights into thrombolytic activity of destabilase from medicinal leech. Sci Rep, 13, 2023
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8P5B
| Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 500 micromolar X77 enantiomer S. | 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 (1.47 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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7ROO
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7RC3
| Aeronamide N-methyltransferase, AerE (Y137F) | Descriptor: | ASPARTIC ACID, CALCIUM ION, HEXAETHYLENE GLYCOL, ... | Authors: | Cogan, D.P, Reyes, R, Nair, S.K. | Deposit date: | 2021-07-07 | Release date: | 2022-03-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Structure and mechanism for iterative amide N -methylation in the biosynthesis of channel-forming peptide cytotoxins. Proc.Natl.Acad.Sci.USA, 119, 2022
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7RC4
| Aeronamide N-methyltransferase, AerE (D141A) | Descriptor: | CALCIUM ION, HEXAETHYLENE GLYCOL, Methyltransferase family protein, ... | Authors: | Cogan, D.P, Reyes, R, Nair, S.K. | Deposit date: | 2021-07-07 | Release date: | 2022-03-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Structure and mechanism for iterative amide N -methylation in the biosynthesis of channel-forming peptide cytotoxins. Proc.Natl.Acad.Sci.USA, 119, 2022
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7RC2
| Aeronamide N-methyltransferase, AerE | Descriptor: | CALCIUM ION, Methyltransferase family protein, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Cogan, D.P, Reyes, R, Nair, S.K. | Deposit date: | 2021-07-07 | Release date: | 2022-03-30 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Structure and mechanism for iterative amide N -methylation in the biosynthesis of channel-forming peptide cytotoxins. Proc.Natl.Acad.Sci.USA, 119, 2022
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7RC6
| Aeronamide N-methyltransferase, AerE, bound to modified peptide substrate, AerA-DL,34 | Descriptor: | Aeronamide A peptide, Methyltransferase family protein, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Cogan, D.P, Reyes, R, Nair, S.K. | Deposit date: | 2021-07-07 | Release date: | 2022-03-30 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Structure and mechanism for iterative amide N -methylation in the biosynthesis of channel-forming peptide cytotoxins. Proc.Natl.Acad.Sci.USA, 119, 2022
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8BVE
| MoeA2 from Corynebacterium glutamicum | Descriptor: | CITRIC ACID, Molybdopterin molybdenumtransferase, SODIUM ION | Authors: | Martinez, M, Haouz, A, Wehenkel, A.M, Alzari, P.M. | Deposit date: | 2022-12-03 | Release date: | 2023-02-22 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Eukaryotic-like gephyrin and cognate membrane receptor coordinate corynebacterial cell division and polar elongation. Biorxiv, 2023
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8BVF
| MoeA2 from Corynebacterium glutamicum in complex with FtsZ-CTD | Descriptor: | Cell division protein FtsZ, Molybdopterin molybdenumtransferase, SODIUM ION, ... | Authors: | Martinez, M, Haouz, A, Wehenkel, A.M, Alzari, P.M. | Deposit date: | 2022-12-03 | Release date: | 2023-02-22 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Eukaryotic-like gephyrin and cognate membrane receptor coordinate corynebacterial cell division and polar elongation. Biorxiv, 2023
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8U07
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8U0H
| Crystal structure of PTPN2 with a PROTAC | Descriptor: | (5P)-3-(carboxymethoxy)-4-chloro-5-(3-{[(4S)-1-({3-[2-(4-{3-[(3R)-2,6-dioxopiperidin-3-yl]-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl}piperidin-1-yl)acetamido]phenyl}methanesulfonyl)-2,2-dimethylpiperidin-4-yl]amino}phenyl)thiophene-2-carboxylic acid, ACETATE ION, PTPN2, ... | Authors: | Jain, R, Longenecker, K, Qiu, W. | Deposit date: | 2023-08-29 | Release date: | 2024-09-04 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Mechanistic insights into a heterobifunctional degrader-induced PTPN2/N1 complex. Commun Chem, 7, 2024
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1M0Q
| Structure of Dialkylglycine Decarboxylase Complexed with S-1-aminoethanephosphonate | Descriptor: | (1S)-1-[((1E)-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYLENE)AMINO]ETHYLPHOSPHONIC ACID, 2,2-Dialkylglycine Decarboxylase, POTASSIUM ION, ... | Authors: | Liu, W, Rogers, C.J, Fisher, A.J, Toney, M.D. | Deposit date: | 2002-06-13 | Release date: | 2002-10-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Aminophosphonate Inhibitors of Dialkylglycine Decarboxylase: Structural Basis for Slow Binding Inhibition Biochemistry, 41, 2002
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8U2A
| Crystal structure of NanI in complex with Neu5,9Ac | Descriptor: | 1,2-ETHANEDIOL, 9-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid, Exo-alpha-sialidase, ... | Authors: | Medley, B.J, Boraston, A.B. | Deposit date: | 2023-09-05 | Release date: | 2024-09-04 | Last modified: | 2024-09-25 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | A "terminal" case of glycan catabolism: structural and enzymatic characterization of the sialidases of Clostridium perfringens. J.Biol.Chem., 2024
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8Q8H
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8BIB
| O-Methyltransferase Plu4890 in complex with SAH and AQ-256 | Descriptor: | 1,3,8-tris(oxidanyl)anthracene-9,10-dione, CARBONATE ION, CHLORIDE ION, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2022-11-02 | Release date: | 2023-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments. Structure, 31, 2023
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8BI3
| Structure of E. coli Class 2 L-asparaginase EcAIII, mutant M200W (crystal M200W#1) | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Sciuk, A, Ruszkowski, M, Jaskolski, M, Loch, J.I. | Deposit date: | 2022-11-01 | Release date: | 2023-05-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.452 Å) | Cite: | The effects of nature-inspired amino acid substitutions on structural and biochemical properties of the E. coli L-asparaginase EcAIII. Protein Sci., 32, 2023
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8BKF
| Structure of E. coli Class 2 L-asparaginase EcAIII, mutant M200T (crystal M200T#o) | Descriptor: | CHLORIDE ION, Isoaspartyl peptidase subunit alpha, Isoaspartyl peptidase subunit beta, ... | Authors: | Sciuk, A, Ruszkowski, M, Jaskolski, M, Loch, J.I. | Deposit date: | 2022-11-09 | Release date: | 2023-05-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.221 Å) | Cite: | The effects of nature-inspired amino acid substitutions on structural and biochemical properties of the E. coli L-asparaginase EcAIII. Protein Sci., 32, 2023
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6CNK
| Structure of the 3alpha2beta stiochiometry of the human Alpha4Beta2 nicotinic receptor | Descriptor: | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Walsh Jr, R.M, Roh, S.H, Gharpure, A, Morales-Perez, C.L, Hibbs, R.E. | Deposit date: | 2018-03-08 | Release date: | 2018-05-02 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structural principles of distinct assemblies of the human alpha 4 beta 2 nicotinic receptor. Nature, 557, 2018
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8TX9
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7QZQ
| Crystal structure of the kelch domain of human KBTBD12 | Descriptor: | 1,2-ETHANEDIOL, Kelch repeat and BTB domain-containing protein 12, SODIUM ION | Authors: | Manning, C.E, Chen, Z, Chen, X, Bradshaw, W.J, Bakshi, S, Mckinley, G, Chalk, R, Burgess-Brown, N, von Delft, F, Bullock, A.N. | Deposit date: | 2022-01-31 | Release date: | 2022-05-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Crystal structure of the kelch domain of human KBTBD12 To Be Published
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8BP9
| Structure of E. coli Class 2 L-asparaginase EcAIII, mutant M200W (crystal M200W#2) | Descriptor: | CHLORIDE ION, Isoaspartyl peptidase subunit alpha, Isoaspartyl peptidase subunit beta, ... | Authors: | Sciuk, A, Jaskolski, M, Loch, J.I. | Deposit date: | 2022-11-16 | Release date: | 2023-05-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The effects of nature-inspired amino acid substitutions on structural and biochemical properties of the E. coli L-asparaginase EcAIII. Protein Sci., 32, 2023
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8U3P
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7RMA
| Structure of the fourth UIM (Ubiquitin Interacting Motif) of ANKRD13D in complex with a high affinity UbV (Ubiquitin Variant) | Descriptor: | Ankyrin repeat domain-containing protein 13D, SODIUM ION, SULFATE ION, ... | Authors: | Singer, A.U, Manczyk, N, Veggiani, G, Sicheri, F, Sidhu, S.S. | Deposit date: | 2021-07-27 | Release date: | 2022-05-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Panel of Engineered Ubiquitin Variants Targeting the Family of Human Ubiquitin Interacting Motifs. Acs Chem.Biol., 17, 2022
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7R4U
| Apoform of FtrA/P19 from Rubrivivax gelatinosus | Descriptor: | FtrA-P19, GLYCEROL, SODIUM ION, ... | Authors: | Morera, S, Vigouroux, A, Plancqueel, S. | Deposit date: | 2022-02-09 | Release date: | 2022-05-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | New insights into the mechanism of iron transport through the bacterial Ftr system present in pathogens. Febs J., 289, 2022
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