8X1H
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8W0C
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9BUN
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8WRA
| The Crystal Structure of CASP1 from Biortus | Descriptor: | 1,2-ETHANEDIOL, Caspase-1 | Authors: | Wang, F, Cheng, W, Yuan, Z, Lin, D, Guo, S. | Deposit date: | 2023-10-13 | Release date: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | The Crystal Structure of CASP1 from Biortus. To Be Published
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8YA1
| HEN EGG WHITE LYSOZYME | Descriptor: | Lysozyme C | Authors: | Zhang, C.Y, Xu, Q, Wang, W.W, Zhou, H. | Deposit date: | 2024-02-07 | Release date: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Crystallographic data collection using a multilayer monochromator on an undulator beamline at SSRF To Be Published
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8TX5
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8UAS
| Rhodococcus ruber Alcohol Dehydrogenase NADH Biomimetic Complex - Compound 1a | Descriptor: | 1-[3-[~{tert}-butyl(dimethyl)silyl]oxypropyl]pyridine-3-carboxamide, CITRIC ACID, ISOPROPYL ALCOHOL, ... | Authors: | Wilson, L.A, Guddat, L.W, Schenk, G, Scott, C. | Deposit date: | 2023-09-22 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Characterization of Enzymatic Interactions with Functional Nicotinamide Cofactor Biomimetics Catalysts, 14, 2024
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9FEB
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8X2S
| The Crystal Structure of BPGM from Biortus | Descriptor: | 1,2-ETHANEDIOL, Bisphosphoglycerate mutase | Authors: | Wang, F, Cheng, W, Yuan, Z, Qi, J, Li, J. | Deposit date: | 2023-11-10 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Crystal Structure of BPGM from Biortus To Be Published
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8VJ2
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8UAJ
| Succinate Bound Crystal Structure of Thermus scotoductus SA-01 Ene-reductase | Descriptor: | FLAVIN MONONUCLEOTIDE, NADPH dehydrogenase, SUCCINIC ACID | Authors: | Wilson, L.A, Guddat, L, Schenk, G, Scott, C. | Deposit date: | 2023-09-21 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Structural Characterization of Enzymatic Interactions with Functional Nicotinamide Cofactor Biomimetics Catalysts, 14, 2024
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9EU6
| The FK1 domain of FKBP51 in complex with SAFit-analog 23j | Descriptor: | (1,5-dimethylpyrazol-4-yl)methyl (2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Meyners, C, Buffa, V, Hausch, F. | Deposit date: | 2024-03-27 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | 1,4-Pyrazolyl-containing SAFit-analogues are selective FKBP51 inhibitors with improved ligand efficiency and drug-like profile. Chemmedchem, 2024
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8XE7
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8YQ4
| Structure of mBaoJin2 | Descriptor: | CHLORIDE ION, GLYCEROL, SULFATE ION, ... | Authors: | Boyko, K.M, Nikolaeva, A.Y, Minyaev, M.E, Kuzmicheva, T.P, Vlaskina, A.V, Popov, V.O, Pyatkevich, K.D, Subach, F.V. | Deposit date: | 2024-03-19 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of mBaoJin2 To Be Published
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9EU7
| The FK1 domain of FKBP51 in complex with SAFit-analog 15b | Descriptor: | (2-methyl-1,3-thiazol-5-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Meyners, C, Buffa, V, Hausch, F. | Deposit date: | 2024-03-27 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | 1,4-Pyrazolyl-containing SAFit-analogues are selective FKBP51 inhibitors with improved ligand efficiency and drug-like profile. Chemmedchem, 2024
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8UKV
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8UVL
| Crystal structure of selective IRE1a inhibitor 29 at the enzyme active site | Descriptor: | 1,2-ETHANEDIOL, 1-phenyl-N-(2,3,6-trifluoro-4-{[(3M)-3-(2-{[(3R,5R)-5-fluoropiperidin-3-yl]amino}pyrimidin-4-yl)pyridin-2-yl]oxy}phenyl)methanesulfonamide, Serine/threonine-protein kinase/endoribonuclease IRE1 | Authors: | Kiefer, J.R, Wallweber, H.A, Braun, M.-G, Wei, W, Jiang, F, Wang, W, Rudolph, J, Ashkenazi, A. | Deposit date: | 2023-11-03 | Release date: | 2024-05-29 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Discovery of Potent, Selective, and Orally Available IRE1 alpha Inhibitors Demonstrating Comparable PD Modulation to IRE1 Knockdown in a Multiple Myeloma Model. J.Med.Chem., 67, 2024
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8WAB
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8ZN3
| Structure of Phosphopantetheine adenylyltransferase (PPAT) from Enterobacter sp. with the expression tag bound in the substrate binding site of a neighbouring molecule at 2.41 A resolution. | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, PHOSPHONOACETIC ACID, ... | Authors: | Ahmad, N, Sharma, P, Bhushan, A, Sharma, S, Singh, T.P. | Deposit date: | 2024-05-25 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Structure of Phosphopantetheine adenylyltransferase (PPAT) from Enterobacter sp. with the expression tag bound in the substrate binding site of a neighbouring molecule at 2.41 A resolution. To Be Published
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8VEX
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8YYR
| Structure of the HitB T293G mutant | Descriptor: | Putative ATP-dependent b-aminoacyl-ACP synthetase, [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(3~{S})-3-azanyl-3-(2-bromophenyl)propanoyl]sulfamate | Authors: | Wang, D, Miyanaga, A, Chisuga, T, Kudo, F, Eguchi, T. | Deposit date: | 2024-04-04 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Engineering the Substrate Specificity of (S)-beta-Phenylalanine Adenylation Enzyme HitB. Chembiochem, 2024
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8VEY
| Crystal structure of PRMT5:MEP50 in complex with MTA and TNG908 | Descriptor: | 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, CHLORIDE ION, ... | Authors: | Whittington, D.A. | Deposit date: | 2023-12-20 | Release date: | 2024-04-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP -Deleted Cancers. J.Med.Chem., 67, 2024
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8Y33
| A near-infrared fluorescent protein of de novo backbone design | Descriptor: | 3-[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-2-[[5-[(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, near-infrared fluorescent protein | Authors: | Hu, X, Xu, Y. | Deposit date: | 2024-01-28 | Release date: | 2024-02-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Using Protein Design and Directed Evolution to Monomerize a Bright Near-Infrared Fluorescent Protein. Acs Synth Biol, 13, 2024
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8X2R
| The Crystal Structure of HSP 90-alpha from Biortus. | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Heat shock protein HSP 90-alpha | Authors: | Wang, F, Cheng, W, Lv, Z, Meng, Q, Lu, Y. | Deposit date: | 2023-11-10 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | The Crystal Structure of HSP 90-alpha from Biortus. To Be Published
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8YA7
| endo-1,3-fucanase Fun168A,complex with fucotetraose | Descriptor: | alpha-L-fucopyranose-(1-3)-2,4-di-O-sulfo-alpha-L-fucopyranose-(1-3)-2-O-sulfo-alpha-L-fucopyranose-(1-3)-2-O-sulfo-alpha-L-fucopyranose, endo-1,3-fucanase | Authors: | Chen, G.N, Chang, Y.G. | Deposit date: | 2024-02-07 | Release date: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Strucutre of endo-1,3-fucanase Fun168A complex with fucotetrose at 1.99 Angstroms resolution. To Be Published
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