5KKP
 
 | | Crystal Structure of Human Pseudouridylate Synthase 7 | | Descriptor: | 1,2-ETHANEDIOL, Pseudouridylate synthase 7, UNKNOWN ATOM OR ION | | Authors: | DONG, A, ZENG, H, WALKER, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-06-22 | | Release date: | 2016-08-17 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Crystal Structure of Human Pseudouridylate Synthase 7
to be published
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5KUH
 | | GluK2EM with LY466195 | | Descriptor: | (3S,4aR,6S,8aR)-6-{[(2S)-2-carboxy-4,4-difluoropyrrolidin-1-yl]methyl}decahydroisoquinoline-3-carboxylic acid, Glutamate receptor ionotropic, kainate 2 | | Authors: | Meyerson, J.R, Chittori, S, Merk, A, Rao, P, Han, T.H, Serpe, M, Mayer, M.L, Subramaniam, S. | | Deposit date: | 2016-07-13 | | Release date: | 2016-09-07 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (11.6 Å) | | Cite: | Structural basis of kainate subtype glutamate receptor desensitization.
Nature, 537, 2016
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5KZ5
 | | Architecture of the Human Mitochondrial Iron-Sulfur Cluster Assembly Machinery: the Complex Formed by the Iron Donor, the Sulfur Donor, and the Scaffold | | Descriptor: | Cysteine desulfurase, mitochondrial, Frataxin, ... | | Authors: | Gakh, O, Ranatunga, W, Smith, D.Y, Ahlgren, E.C, Al-Karadaghi, S, Thompson, J.R, Isaya, G. | | Deposit date: | 2016-07-22 | | Release date: | 2016-08-31 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (14.3 Å) | | Cite: | Architecture of the Human Mitochondrial Iron-Sulfur Cluster Assembly Machinery.
J.Biol.Chem., 291, 2016
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5L12
 | | Crystal structure of 2C-methyl-D-erythritol 2,4-clycodiphosphate synthase from BURKHOLDERIA PSEUDOMALLEI double mutant | | Descriptor: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, ZINC ION | | Authors: | Blain, J.M, Raneiri, G, Walter, R.L, Hagen, T.J, Horn, J.R. | | Deposit date: | 2016-07-28 | | Release date: | 2017-11-01 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.716 Å) | | Cite: | Enzyme Engineering for the Development of a High-Throughput Temperature Screen of Burkholderia pseudomallei IspF Inhibitors
To Be Published
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7U4A
 | | Crystal Structure of Zika virus xrRNA1 mutant | | Descriptor: | MAGNESIUM ION, RNA (70-MER) | | Authors: | Thompson, R.D, Carbaugh, D.L, Nielsen, J.R, Witt, C, Meganck, R.M, Rangadurai, A, Zhao, B, Bonin, J.P, Nathan, N.T, Marzluff, W.F, Frank, A.T, Lazear, H.M, Zhang, Q. | | Deposit date: | 2022-02-28 | | Release date: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Dynamic Basis of Xrn1 Resistance in Mosquito-borne Flavivirus RNA
To Be Published
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7U8K
 | | Magic Angle Spinning NMR Structure of Human Cofilin-2 Assembled on Actin Filaments | | Descriptor: | Actin, alpha skeletal muscle, Cofilin-2 | | Authors: | Kraus, J, Russell, R, Kudryashova, E, Xu, C, Katyal, N, Kudryashov, D, Perilla, J.R, Polenova, T. | | Deposit date: | 2022-03-08 | | Release date: | 2023-08-16 | | Last modified: | 2024-02-28 | | Method: | SOLID-STATE NMR | | Cite: | Magic angle spinning NMR structure of human cofilin-2 assembled on actin filaments reveals isoform-specific conformation and binding mode.
Nat Commun, 13, 2022
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5M4X
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7UPI
 | | Cryo-EM structure of SHOC2-PP1c-MRAS holophosphatase complex | | Descriptor: | CHLORIDE ION, GUANOSINE-5'-TRIPHOSPHATE, Leucine-rich repeat protein SHOC-2, ... | | Authors: | Fuller, J.R, Hajian, B, Lemke, C, Kwon, J, Bian, Y, Aguirre, A. | | Deposit date: | 2022-04-15 | | Release date: | 2022-05-04 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (2.89 Å) | | Cite: | Structure-function analysis of the SHOC2-MRAS-PP1C holophosphatase complex.
Nature, 609, 2022
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7UYU
 | | Crystal structure of TYK2 kinase domain in complex with compound 30 | | Descriptor: | 2-(2,6-difluorophenyl)-4-[4-(pyrrolidine-1-carbonyl)anilino]-5H-pyrrolo[3,4-b]pyridin-5-one, Non-receptor tyrosine-protein kinase TYK2, SULFATE ION | | Authors: | Toms, A.V, Leit, S, Greenwood, J.R, Mondal, S, Carriero, S, Dahlgren, M, Harriman, G.C, Kennedy-Smith, J.J, Kapeller, R, Lawson, J.P, Romero, D.L, Shelley, M, Wester, R.T, Westlin, W, Mc Elwee, J.J, Miao, W, Edmondson, S.D, Massee, C.E. | | Deposit date: | 2022-05-07 | | Release date: | 2022-08-24 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Potent and selective TYK2-JH1 inhibitors highly efficacious in rodent model of psoriasis.
Bioorg.Med.Chem.Lett., 73, 2022
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7UYR
 | | Crystal structure of TYK2 kinase domain in complex with compound 12 | | Descriptor: | 2-(4-{[2-(2,6-difluorophenyl)-5-oxo-5H-pyrrolo[3,4-d]pyrimidin-4-yl]amino}phenyl)-N-ethylacetamide, Non-receptor tyrosine-protein kinase TYK2 | | Authors: | Toms, A.V, Leit, S, Greenwood, J.R, Mondal, S, Carriero, S, Dahlgren, M, Harriman, G.C, Kennedy-Smith, J.J, Kapeller, R, Lawson, J.P, Romero, D.L, Shelley, M, Wester, R.T, Westlin, W, Mc Elwee, J.J, Miao, W, Edmondson, S.D, Massee, C.E. | | Deposit date: | 2022-05-07 | | Release date: | 2022-08-24 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Potent and selective TYK2-JH1 inhibitors highly efficacious in rodent model of psoriasis.
Bioorg.Med.Chem.Lett., 73, 2022
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7UYW
 | | Crystal structure of JAK2 kinase domain in complex with compound 30 | | Descriptor: | 2-(2,6-difluorophenyl)-4-[4-(pyrrolidine-1-carbonyl)anilino]-5H-pyrrolo[3,4-b]pyridin-5-one, Tyrosine-protein kinase JAK2 | | Authors: | Toms, A.V, Leit, S, Greenwood, J.R, Mondal, S, Carriero, S, Dahlgren, M, Harriman, G.C, Kennedy-Smith, J.J, Kapeller, R, Lawson, J.P, Romero, D.L, Shelley, M, Wester, R.T, Westlin, W, Mc Elwee, J.J, Miao, W, Edmondson, S.D, Massee, C.E. | | Deposit date: | 2022-05-07 | | Release date: | 2022-08-24 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Potent and selective TYK2-JH1 inhibitors highly efficacious in rodent model of psoriasis.
Bioorg.Med.Chem.Lett., 73, 2022
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7UYT
 | | Crystal structure of TYK2 kinase domain in complex with compound 25 | | Descriptor: | 6-{[(2M)-2-(2-chloro-6-fluorophenyl)-5-oxo-5H-pyrrolo[3,4-b]pyridin-4-yl]amino}-N-ethylpyridine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2 | | Authors: | Toms, A.V, Leit, S, Greenwood, J.R, Mondal, S, Carriero, S, Dahlgren, M, Harriman, G.C, Kennedy-Smith, J.J, Kapeller, R, Lawson, J.P, Romero, D.L, Shelley, M, Wester, R.T, Westlin, W, Mc Elwee, J.J, Miao, W, Edmondson, S.D, Massee, C.E. | | Deposit date: | 2022-05-07 | | Release date: | 2022-08-24 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Potent and selective TYK2-JH1 inhibitors highly efficacious in rodent model of psoriasis.
Bioorg.Med.Chem.Lett., 73, 2022
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7UYV
 | | Crystal structure of JAK3 kinase domain in complex with compound 25 | | Descriptor: | 6-{[(2M)-2-(2-chloro-6-fluorophenyl)-5-oxo-5H-pyrrolo[3,4-b]pyridin-4-yl]amino}-N-ethylpyridine-3-carboxamide, CHLORIDE ION, Tyrosine-protein kinase JAK3 | | Authors: | Toms, A.V, Leit, S, Greenwood, J.R, Mondal, S, Carriero, S, Dahlgren, M, Harriman, G.C, Kennedy-Smith, J.J, Kapeller, R, Lawson, J.P, Romero, D.L, Shelley, M, Wester, R.T, Westlin, W, Mc Elwee, J.J, Miao, W, Edmondson, S.D, Massee, C.E. | | Deposit date: | 2022-05-07 | | Release date: | 2022-08-24 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Potent and selective TYK2-JH1 inhibitors highly efficacious in rodent model of psoriasis.
Bioorg.Med.Chem.Lett., 73, 2022
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7UYS
 | | Crystal structure of TYK2 kinase domain in complex with compound 16 | | Descriptor: | 2-(2,6-difluorophenyl)-4-(4-methoxyanilino)-5H-pyrrolo[3,4-d]pyrimidin-5-one, Non-receptor tyrosine-protein kinase TYK2 | | Authors: | Toms, A.V, Leit, S, Greenwood, J.R, Mondal, S, Carriero, S, Dahlgren, M, Harriman, G.C, Kennedy-Smith, J.J, Kapeller, R, Lawson, J.P, Romero, D.L, Shelley, M, Wester, R.T, Westlin, W, Mc Elwee, J.J, Miao, W, Edmondson, S.D, Massee, C.E. | | Deposit date: | 2022-05-07 | | Release date: | 2022-08-24 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Potent and selective TYK2-JH1 inhibitors highly efficacious in rodent model of psoriasis.
Bioorg.Med.Chem.Lett., 73, 2022
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5MIK
 | | X-ray structure of carboplatin-encapsulated horse spleen apoferritin (rotating anode data) | | Descriptor: | CADMIUM ION, CHLORIDE ION, Ferritin light chain, ... | | Authors: | Pontillo, N, Ferraro, G, Helliwell, J.R, Merlino, A. | | Deposit date: | 2016-11-28 | | Release date: | 2017-03-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | X-ray Structure of the Carboplatin-Loaded Apo-Ferritin Nanocage.
ACS Med Chem Lett, 8, 2017
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5MK6
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7TIO
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5MK8
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7W2S
 | | Crystal structure of TxGH116 E730A mutant from Thermoanaerobacterium xylanolyticum with glucose | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ... | | Authors: | Huang, M, Pengthaisong, S, Charoenwattanasatien, R, Jitonnom, J, Ketudat Cairns, J.R. | | Deposit date: | 2021-11-24 | | Release date: | 2022-04-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Systematic Functional and Computational Analysis of Glucose-Binding Residues in Glycoside Hydrolase Family GH116.
Catalysts, 12, 2022
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7W2W
 | | Crystal structure of TxGH116 R786K mutant from Thermoanaerobacterium xylanolyticum with glucose | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ... | | Authors: | Huang, M, Pengthaisong, S, Charoenwattanasatien, R, Jitonnom, J, Ketudat Cairns, J.R. | | Deposit date: | 2021-11-24 | | Release date: | 2022-04-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Systematic Functional and Computational Analysis of Glucose-Binding Residues in Glycoside Hydrolase Family GH116.
Catalysts, 12, 2022
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7W2T
 | | Crystal structure of TxGH116 E730Q mutant from Thermoanaerobacterium xylanolyticum with glucose | | Descriptor: | CALCIUM ION, GLYCEROL, Glucosylceramidase, ... | | Authors: | Huang, M, Pengthaisong, S, Charoenwattanasatien, R, Jitonnom, J, Ketudat Cairns, J.R. | | Deposit date: | 2021-11-24 | | Release date: | 2022-04-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Systematic Functional and Computational Analysis of Glucose-Binding Residues in Glycoside Hydrolase Family GH116.
Catalysts, 12, 2022
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7W2X
 | | Crystal structure of TxGH116 R786K mutant from Thermoanaerobacterium xylanolyticum | | Descriptor: | CALCIUM ION, GLYCEROL, Glucosylceramidase, ... | | Authors: | Huang, M, Pengthaisong, S, Charoenwattanasatien, R, Jitonnom, J, Ketudat Cairns, J.R. | | Deposit date: | 2021-11-24 | | Release date: | 2022-04-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Systematic Functional and Computational Analysis of Glucose-Binding Residues in Glycoside Hydrolase Family GH116.
Catalysts, 12, 2022
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7W2V
 | | Crystal structure of TxGH116 R786A mutant from Thermoanaerobacterium xylanolyticum with glucose | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ... | | Authors: | Huang, M, Pengthaisong, S, Charoenwattanasatien, R, Jitonnom, J, Ketudat Cairns, J.R. | | Deposit date: | 2021-11-24 | | Release date: | 2022-04-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Systematic Functional and Computational Analysis of Glucose-Binding Residues in Glycoside Hydrolase Family GH116.
Catalysts, 12, 2022
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7URJ
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5MTI
 | | Bamb_5917 Acyl-Carrier Protein | | Descriptor: | Phosphopantetheine-binding protein | | Authors: | Gallo, A, Kosol, S, Griffiths, D, Masschelein, J, Alkhalaf, L, Smith, H, Valentic, T, Tsai, S, Challis, G, Lewandowski, J.R. | | Deposit date: | 2017-01-09 | | Release date: | 2018-08-01 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Structural basis for chain release from the enacyloxin polyketide synthase
Nat.Chem., 2019
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