8CD9
| Cathepsin B1 from Schistosoma mansoni in complex with gallinamide analog 6 | Descriptor: | 1,2-ETHANEDIOL, Cathepsin B-like peptidase (C01 family), SODIUM ION, ... | Authors: | Rubesova, P, Brynda, J, Fanfrlik, J, Gerwick, W.H, Mares, M. | Deposit date: | 2023-01-30 | Release date: | 2024-02-21 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Nature-Inspired Gallinamides Are Potent Antischistosomal Agents: Inhibition of the Cathepsin B1 Protease Target and Binding Mode Analysis. Acs Infect Dis., 10, 2024
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7JUJ
| Cruzain bound to Gallinamide inhibitor | Descriptor: | Cruzipain, POTASSIUM ION, gallinamide A, ... | Authors: | Silva, E.B, Sharma, V, Alvarez, L.H, Gerwick, W.H, McKerrow, J.H, Podust, L.M. | Deposit date: | 2020-08-19 | Release date: | 2021-08-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Intramolecular Interactions Enhance the Potency of Gallinamide A Analogues against Trypanosoma cruzi . J.Med.Chem., 65, 2022
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8CC2
| Cathepsin B1 from Schistosoma mansoni in complex with gallinamide A | Descriptor: | Cathepsin B-like peptidase (C01 family), SODIUM ION, gallinamide A, ... | Authors: | Rubesova, P, Brynda, J, Mares, M, Gerwick, W.H. | Deposit date: | 2023-01-26 | Release date: | 2024-02-07 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Nature-Inspired Gallinamides Are Potent Antischistosomal Agents: Inhibition of the Cathepsin B1 Protease Target and Binding Mode Analysis. Acs Infect Dis., 10, 2024
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8CCU
| Cathepsin B1 from Schistosoma mansoni in complex with gallinamide analog 1 | Descriptor: | Cathepsin B-like peptidase (C01 family), SODIUM ION, [(2~{S})-1-[[(2~{S})-1-[[(2~{S})-5-[(2~{S})-3-methoxy-2-(2-methylpropyl)-5-oxidanylidene-2~{H}-pyrrol-1-yl]-5-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl] (2~{S},3~{S})-2-(dimethylamino)-3-methyl-pentanoate | Authors: | Rubesova, P, Brynda, J, Gerwick, W.H, Mares, M. | Deposit date: | 2023-01-27 | Release date: | 2024-02-07 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Nature-Inspired Gallinamides Are Potent Antischistosomal Agents: Inhibition of the Cathepsin B1 Protease Target and Binding Mode Analysis. Acs Infect Dis., 10, 2024
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3U1T
| Haloalkane Dehalogenase, DmmA, of marine microbial origin | Descriptor: | CHLORIDE ION, DmmA Haloalkane Dehalogenase, MALONATE ION | Authors: | Gehret, J.J, Smith, J.L. | Deposit date: | 2011-09-30 | Release date: | 2011-12-28 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure and activity of DmmA, a marine haloalkane dehalogenase. Protein Sci., 21, 2012
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5KP8
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5KP5
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5KP7
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5KP6
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6B3A
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6B3B
| AprA Methyltransferase 1 - GNAT in complex with Mn2+ , SAM, and Malonate | Descriptor: | AprA Methyltransferase 1, GLYCEROL, MALONATE ION, ... | Authors: | Skiba, M.A, Smith, J.L. | Deposit date: | 2017-09-21 | Release date: | 2017-11-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A Mononuclear Iron-Dependent Methyltransferase Catalyzes Initial Steps in Assembly of the Apratoxin A Polyketide Starter Unit. ACS Chem. Biol., 12, 2017
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6B39
| AprA Methyltransferase 1 - GNAT in complex with SAH | Descriptor: | AprA Methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION | Authors: | Skiba, M.A, Smith, J.L. | Deposit date: | 2017-09-21 | Release date: | 2017-11-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.392 Å) | Cite: | A Mononuclear Iron-Dependent Methyltransferase Catalyzes Initial Steps in Assembly of the Apratoxin A Polyketide Starter Unit. ACS Chem. Biol., 12, 2017
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6TH7
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5THZ
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5THY
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7UCH
| AprA Methyltransferase 1 - GNAT in complex with Mn2+ , SAM, and Di-methyl-malonate | Descriptor: | AprA Methyltransferase 1, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Skiba, M.A, Lao, Y, Smith, J.L. | Deposit date: | 2022-03-16 | Release date: | 2022-06-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Structural Basis for Control of Methylation Extent in Polyketide Synthase Metal-Dependent C -Methyltransferases. Acs Chem.Biol., 17, 2022
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6D6Y
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4GBM
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4GOX
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2Q34
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2Q35
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2REF
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4MZ0
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6MFC
| GphF GNAT-like decarboxylase | Descriptor: | GLYCEROL, GphF, PENTAETHYLENE GLYCOL | Authors: | Skiba, M.A, Tran, C.L, Smith, J.L. | Deposit date: | 2018-09-10 | Release date: | 2019-09-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.589 Å) | Cite: | Repurposing the GNAT Fold in the Initiation of Polyketide Biosynthesis. Structure, 28, 2020
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6MFD
| GphF GNAT-like decarboxylase in complex with isobutyryl-CoA | Descriptor: | ACETATE ION, GLYCEROL, GphF, ... | Authors: | Skiba, M.A, Tran, C.L, Smith, J.L. | Deposit date: | 2018-09-10 | Release date: | 2019-09-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.794 Å) | Cite: | Repurposing the GNAT Fold in the Initiation of Polyketide Biosynthesis. Structure, 28, 2020
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