7XEE
| Crystal Structure of the Y53F/N55A mutant of LEH complexed with 2-(3-phenyloxetan-3-yl)ethanamine | Descriptor: | 1,2-ETHANEDIOL, 2-(3-phenyloxetan-3-yl)ethanamine, Limonene-1,2-epoxide hydrolase, ... | Authors: | Qu, G, Li, X, Sun, Z.T. | Deposit date: | 2022-03-31 | Release date: | 2023-01-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.877 Å) | Cite: | Rational enzyme design for enabling biocatalytic Baldwin cyclization and asymmetric synthesis of chiral heterocycles. Nat Commun, 13, 2022
|
|
7XCM
| Crystal structure of sulfite MttB structure at 3.2 A resolution | Descriptor: | 3-METHYL-5-SULFO-PYRROLIDINE-2-CARBOXYLIC ACID, GLYCEROL, SODIUM ION, ... | Authors: | Li, J, Chan, M.K. | Deposit date: | 2022-03-24 | Release date: | 2023-01-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Insights into pyrrolysine function from structures of a trimethylamine methyltransferase and its corrinoid protein complex. Commun Biol, 6, 2023
|
|
6YHJ
| Thrombin in complex with D-Phe-Pro-2-chlorothiophen derivative (16e) | Descriptor: | (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-chloranylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Sandner, A, Heine, A, Klebe, G, Collins, C. | Deposit date: | 2020-03-30 | Release date: | 2021-04-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Thrombin in complex with D-Phe-Pro-2-chlorothiophen derivative (16e) To be published
|
|
5UDY
| Human alkaline sphingomyelinase (alk-SMase, ENPP7, NPP7) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gorelik, A, Liu, F, Illes, K, Nagar, B. | Deposit date: | 2016-12-28 | Release date: | 2017-03-22 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of the human alkaline sphingomyelinase provides insights into substrate recognition. J. Biol. Chem., 292, 2017
|
|
7XEF
| Crystal Structure of the Y53F/N55A mutant of LEH complexed with (R)-(1-benzyl-3-phenylpyrrolidin-3-yl)methanol | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Limonene-1,2-epoxide hydrolase, ... | Authors: | Qu, G, Li, X, Sun, Z.T. | Deposit date: | 2022-03-31 | Release date: | 2023-01-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.816 Å) | Cite: | Rational enzyme design for enabling biocatalytic Baldwin cyclization and asymmetric synthesis of chiral heterocycles. Nat Commun, 13, 2022
|
|
6YN3
| Thrombin in complex with 4-hydroxybenzamide (j89) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-HYDROXYBENZAMIDE, DIMETHYL SULFOXIDE, ... | Authors: | Scanlan, W, Heine, A, Klebe, G, Abazi, N. | Deposit date: | 2020-04-10 | Release date: | 2021-04-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Thrombin in complex with 4-hydroxybenzamide (j89) To be published
|
|
6U6U
| IL36R extracellular domain in complex with BI655130 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BI00655130 Fab heavy chain, ... | Authors: | Larson, E.T, Farrow, N.A. | Deposit date: | 2019-08-30 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | X-ray crystal structure localizes the mechanism of inhibition of an IL-36R antagonist monoclonal antibody to interaction with Ig1 and Ig2 extra cellular domains. Protein Sci., 29, 2020
|
|
6YMP
| Thrombin in complex with 3-((5-(tert-butyl)isoxazol-3-yl)methyl)oxetan-3-amine (j54) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine, DIMETHYL SULFOXIDE, ... | Authors: | Scanlan, W, Heine, A, Klebe, G, Abazi, N. | Deposit date: | 2020-04-09 | Release date: | 2021-04-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Thrombin in complex with 3-((5-(tert-butyl)isoxazol-3-yl)methyl)oxetan-3-amine (j54) To be published
|
|
6YQV
| Thrombin in complex with 5-chlorothiophene-2-sulfonamide (j94) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-chloranylthiophene-2-sulfonamide, DIMETHYL SULFOXIDE, ... | Authors: | Scanlan, W, Heine, A, Klebe, G, Abazi, N. | Deposit date: | 2020-04-18 | Release date: | 2021-04-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Thrombin in complex with 5-chlorothiophene-2-sulfonamide (j94) To be published
|
|
6YYI
| Crystal structure of beta-D-xylosidase from Dictyoglomus thermophilum bound to beta-D-xylopyranose | Descriptor: | 1,2-ETHANEDIOL, Beta-xylosidase, CITRIC ACID, ... | Authors: | Lafite, P, Daniellou, R, Bretagne, D. | Deposit date: | 2020-05-05 | Release date: | 2020-12-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Crystal structure of Dictyoglomus thermophilum beta-d-xylosidase DtXyl unravels the structural determinants for efficient notoginsenoside R1 hydrolysis. Biochimie, 181, 2020
|
|
7X5Q
| Apo Truncated VhChiP (Delta 1-19) in complex with peptide (DGANSDAAK) | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, ASP-GLY-ALA-ASN-SER-ASP, Chitoporin, ... | Authors: | Sanram, S, Aunkham, A, Suginta, W, Robinson, R.C. | Deposit date: | 2022-03-05 | Release date: | 2023-03-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure and function of truncated VhChiP To Be Published
|
|
7X0Z
| |
7XE6
| T4 lysozyme mutant-S44C/C54T/N68C/A93C/C97A/T115C, pH7 | Descriptor: | Endolysin, GLYCEROL, HEXANE-1,6-DIOL, ... | Authors: | Tamada, T, Hiromoto, T. | Deposit date: | 2022-03-30 | Release date: | 2023-03-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Creation of Cross-Linked Crystals With Intermolecular Disulfide Bonds Connecting Symmetry-Related Molecules Allows Retention of Tertiary Structure in Different Solvent Conditions. Front Mol Biosci, 9, 2022
|
|
7XEA
| T4 lysozyme mutant-S44C/C54T/N68C/A93C/C97A/T115C, DMSO 40%, and then backsoaking | Descriptor: | CHLORIDE ION, Endolysin, GLYCEROL, ... | Authors: | Tamada, T, Hiromoto, T. | Deposit date: | 2022-03-30 | Release date: | 2023-03-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Creation of Cross-Linked Crystals With Intermolecular Disulfide Bonds Connecting Symmetry-Related Molecules Allows Retention of Tertiary Structure in Different Solvent Conditions. Front Mol Biosci, 9, 2022
|
|
7X07
| Cryo-EM structure of human ABCD1 in the presence of C26:0 | Descriptor: | ATP-binding cassette sub-family D member 1, hexacosanoic acid | Authors: | Chao, X, Li-Na, J, Lin, T. | Deposit date: | 2022-02-21 | Release date: | 2023-03-22 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (3.78 Å) | Cite: | Structural insights into substrate recognition and translocation of human peroxisomal ABC transporter ALDP. Signal Transduct Target Ther, 8, 2023
|
|
7X0T
| |
7XE5
| T4 lysozyme mutant-S44C/C54T/N68C/A93C/C97A/T115C, pH4 | Descriptor: | Endolysin, GLYCEROL, HEXANE-1,6-DIOL, ... | Authors: | Tamada, T, Hiromoto, T. | Deposit date: | 2022-03-30 | Release date: | 2023-03-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Creation of Cross-Linked Crystals With Intermolecular Disulfide Bonds Connecting Symmetry-Related Molecules Allows Retention of Tertiary Structure in Different Solvent Conditions. Front Mol Biosci, 9, 2022
|
|
7XBE
| |
6UFC
| |
7XE9
| T4 lysozyme mutant-S44C/C54T/N68C/A93C/C97A/T115C, DMSO 20% | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, Endolysin, ... | Authors: | Tamada, T, Hiromoto, T. | Deposit date: | 2022-03-30 | Release date: | 2023-03-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Creation of Cross-Linked Crystals With Intermolecular Disulfide Bonds Connecting Symmetry-Related Molecules Allows Retention of Tertiary Structure in Different Solvent Conditions. Front Mol Biosci, 9, 2022
|
|
7X1W
| |
6QCK
| 17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with FB262 | Descriptor: | 17-beta-hydroxysteroid dehydrogenase 14, 2-[2-(1,3-benzodioxol-2-yl)ethyl]benzoic acid, DIMETHYL SULFOXIDE, ... | Authors: | Bertoletti, N, Marchais-Oberwinkler, S, Heine, A, Klebe, G. | Deposit date: | 2018-12-28 | Release date: | 2020-01-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Mutational and structural studies uncover crucial amino acids determining activity and stability of 17 beta-HSD14. J.Steroid Biochem.Mol.Biol., 189, 2019
|
|
4Q68
| |
7XEC
| |
7XFT
| MucP PDZ2 domain | Descriptor: | Putative zinc metalloprotease PA3649, SODIUM ION, VALINE | Authors: | Lou, X, Li, S, Zhang, Q, Bartlam, M. | Deposit date: | 2022-04-02 | Release date: | 2023-04-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | MucP PDZ2 domain To Be Published
|
|