4FBG
| Crystal structure of Treponema denticola trans-2-enoyl-CoA reductase in complex with NAD | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative reductase TDE_0597 | Authors: | Hu, K, Zhao, M, Zhang, T, Yang, S, Ding, J. | Deposit date: | 2012-05-23 | Release date: | 2012-11-28 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (3.02 Å) | Cite: | Structures of trans-2-enoyl-CoA reductases from Clostridium acetobutylicum and Treponema denticola: insights into the substrate specificity and the catalytic mechanism Biochem.J., 449, 2013
|
|
5AIX
| Complex of human hematopoietic prostagandin D2 synthase (hH-PGDS) in complex with an active site inhibitor. | Descriptor: | 6-(3-methoxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide, GLUTATHIONE, HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE, ... | Authors: | Edfeldt, F, Evenas, J, Lepisto, M, Ward, A, Petersen, J, Wissler, L, Rohman, M, Sivars, U, Svensson, K, Perry, M, Feierberg, I, Zhou, X, Hansson, T, Narjes, F. | Deposit date: | 2015-02-18 | Release date: | 2015-06-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Identification of Indole Inhibitors of Human Hematopoietic Prostaglandin D2 Synthase (Hh-Pgds). Bioorg.Med.Chem.Lett., 25, 2015
|
|
5AIV
| Complex of human hematopoietic prostagandin D2 synthase (hH-PGDS) in complex with an active site inhibitor. | Descriptor: | 3-(1H-indol-4-yl)-N-(3-methoxypropyl)-1,2,4-oxadiazole-5-carboxamide, GLUTATHIONE, HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE, ... | Authors: | Edfeldt, F, Evenas, J, Lepisto, M, Ward, A, Petersen, J, Wissler, L, Rohman, M, Sivars, U, Svensson, K, Perry, M, Feierberg, I, Zhou, X, Hansson, T, Narjes, F. | Deposit date: | 2015-02-17 | Release date: | 2015-06-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Identification of Indole Inhibitors of Human Hematopoietic Prostaglandin D2 Synthase (Hh-Pgds). Bioorg.Med.Chem.Lett., 25, 2015
|
|
8T5G
| SOS2 co-crystal structure with fragment bound (compound 12) | Descriptor: | DIMETHYL SULFOXIDE, SULFATE ION, Son of sevenless homolog 2, ... | Authors: | Gunn, R.J, Lawson, J.D, Ivetac, A, Ulaganathan, T, Coulombe, R, Fethiere, J. | Deposit date: | 2023-06-13 | Release date: | 2024-01-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Discovery of Five SOS2 Fragment Hits with Binding Modes Determined by SOS2 X-Ray Cocrystallography. J.Med.Chem., 67, 2024
|
|
8T5M
| SOS2 crystal structure with fragment bound (compound 14) | Descriptor: | 1,2-ETHANEDIOL, 4-[(1R,2S)-1-hydroxy-2-{[2-(4-hydroxyphenyl)ethyl]amino}propyl]phenol, SULFATE ION, ... | Authors: | Gunn, R.J, Lawson, J.D, Ivetac, A, Ulaganathan, T, Coulombe, R, Fethiere, J. | Deposit date: | 2023-06-14 | Release date: | 2024-01-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Discovery of Five SOS2 Fragment Hits with Binding Modes Determined by SOS2 X-Ray Cocrystallography. J.Med.Chem., 67, 2024
|
|
8T5R
| SOS2 crystal structure with fragment bound (compound 13) | Descriptor: | 4-(aminomethyl)benzene-1-sulfonamide, SULFATE ION, Son of sevenless homolog 2 | Authors: | Gunn, R.J, Lawson, J.D, Ivetac, A, Ulaganathan, T, Coulombe, R, Fethiere, J. | Deposit date: | 2023-06-14 | Release date: | 2024-01-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Discovery of Five SOS2 Fragment Hits with Binding Modes Determined by SOS2 X-Ray Cocrystallography. J.Med.Chem., 67, 2024
|
|
5AIS
| Complex of human hematopoietic prostagandin D2 synthase (hH-PGDS) in complex with an active site inhibitor. | Descriptor: | 4-(dimethylamino)-N-[5-(1H-indol-4-yl)pyridin-3-yl]butanamide, GLUTATHIONE, HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE, ... | Authors: | Edfeldt, F, Evenas, J, Lepisto, M, Ward, A, Petersen, J, Wissler, L, Rohman, M, Sivars, U, Svensson, K, Perry, M, Feierberg, I, Zhou, X, Hansson, T, Narjes, F. | Deposit date: | 2015-02-17 | Release date: | 2015-06-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Identification of Indole Inhibitors of Human Hematopoietic Prostaglandin D2 Synthase (Hh-Pgds). Bioorg.Med.Chem.Lett., 25, 2015
|
|
5A40
| Crystal structure of a dual topology fluoride ion channel. | Descriptor: | MERCURY (II) ION, MONOBODIES, PUTATIVE FLUORIDE ION TRANSPORTER CRCB | Authors: | Stockbridge, R.B, Kolmakova-Partensky, L, Shane, T, Koide, A, Koide, S, Miller, C, Newstead, S. | Deposit date: | 2015-06-04 | Release date: | 2015-09-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Crystal Structures of a Double-Barrelled Fluoride Ion Channel. Nature, 525, 2015
|
|
5A43
| Crystal structure of a dual topology fluoride ion channel. | Descriptor: | DECYL-BETA-D-MALTOPYRANOSIDE, FLUORIDE ION, MONOBODIES, ... | Authors: | Stockbridge, R.B, Kolmakova-Partensky, L, Shane, T, Koide, A, Koide, S, Miller, C, Newstead, S. | Deposit date: | 2015-06-04 | Release date: | 2015-09-02 | Last modified: | 2015-09-30 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Crystal Structures of a Double-Barrelled Fluoride Ion Channel. Nature, 525, 2015
|
|
6LRU
| Marsupenaeus japonicus ferritin mutant (T158H) | Descriptor: | FE (III) ION, Ferritin, IMIDAZOLE, ... | Authors: | Zhao, G, Tan, X, Zhang, T. | Deposit date: | 2020-01-16 | Release date: | 2020-11-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Converting histidine-induced 3D protein arrays in crystals into their 3D analogues in solution by metal coordination cross-linking. Commun Chem, 2020
|
|
6LRV
| |
1QXK
| Monoacid-Based, Cell Permeable, Selective Inhibitors of Protein Tyrosine Phosphatase 1B | Descriptor: | 2-{4-[2-ACETYLAMINO-3-(4-CARBOXYMETHOXY-3-HYDROXY-PHENYL)-PROPIONYLAMINO]-BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER, Protein-tyrosine phosphatase, non-receptor type 1 | Authors: | Xin, Z, Liu, G, Abad-Zapatero, C, Pei, Z, Szczepankiewick, B.G, Li, X, Zhang, T, Hutchins, C.W, Hajduk, P.J, Ballaron, S.J, Stashko, M.A, Lubben, T.H, Trevillyan, J.M, Jirousek, M.R. | Deposit date: | 2003-09-08 | Release date: | 2003-10-28 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Identification of a Monoacid-Based, Cell Permeable, Selective
Inhibitor of Protein Tyrosine Phosphatase 1B BIOORG.MED.CHEM.LETT., 13, 2003
|
|
6LQI
| Cryo-EM structure of the mouse Piezo1 isoform Piezo1.1 | Descriptor: | Piezo-type mechanosensitive ion channel component 1 | Authors: | Geng, J, Liu, W, Zhou, H, Zhang, T, Wang, L, Zhang, M, Shen, B, Li, X, Xiao, B. | Deposit date: | 2020-01-13 | Release date: | 2020-03-04 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | A Plug-and-Latch Mechanism for Gating the Mechanosensitive Piezo Channel. Neuron, 106, 2020
|
|
6LRW
| |
6LS2
| |
6JOB
| Ferritin variant with "GMG" motif | Descriptor: | Ferritin heavy chain | Authors: | Zheng, B.W, Zhou, K, Zhang, T, Lv, C, Wang, H, Zhao, G. | Deposit date: | 2019-03-20 | Release date: | 2020-03-25 | Last modified: | 2024-03-27 | Method: | SOLUTION SCATTERING (2.93 Å), X-RAY DIFFRACTION | Cite: | Self-assembly of protein nanocage into designed 2D and 3D networks by grafting amyloidogenic motifs on the exterior surfaces. To Be Published
|
|
5HUQ
| A tethered niacin-derived pincer complex with a nickel-carbon bond in lactate racemase | Descriptor: | 3-methanethioyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-5-(sulfanylcarbonyl)pyridin-1-ium, Lactate racemization operon protein LarA, NICKEL (II) ION, ... | Authors: | Desguin, B, Zhang, T, Soumillion, P, Hols, P, Hu, J, Hausinger, R.P. | Deposit date: | 2016-01-27 | Release date: | 2016-02-10 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | METALLOPROTEINS. A tethered niacin-derived pincer complex with a nickel-carbon bond in lactate racemase. Science, 349, 2015
|
|
6KH3
| Design and crystal structure of protein MOFs with ferritin nanocages as linkers and nickel clusters as nodes | Descriptor: | FE (III) ION, Ferritin, NICKEL (II) ION | Authors: | Gu, C, Chen, H, Wang, Y, Zhang, T, Wang, H, Zhao, G. | Deposit date: | 2019-07-12 | Release date: | 2020-01-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Insight into Binary Protein Metal-Organic Frameworks with Ferritin Nanocages as Linkers and Nickel Clusters as Nodes. Chemistry, 26, 2020
|
|
6KH5
| Design and crystal structure of protein MOFs with ferritin nanocages as linkers and nickel clusters as nodes | Descriptor: | FE (III) ION, Ferritin, NICKEL (II) ION | Authors: | Gu, C, Chen, H, Wang, Y, Zhang, T, Wang, H, Zhao, G. | Deposit date: | 2019-07-12 | Release date: | 2020-01-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.294 Å) | Cite: | Structural Insight into Binary Protein Metal-Organic Frameworks with Ferritin Nanocages as Linkers and Nickel Clusters as Nodes. Chemistry, 26, 2020
|
|
6KH0
| |
5ZV6
| |
1TZC
| Crystal structure of phosphoglucose/phosphomannose isomerase from Pyrobaculum aerophilum in complex with 5-phosphoarabinonate | Descriptor: | 5-PHOSPHOARABINONIC ACID, GLYCEROL, SULFATE ION, ... | Authors: | Swan, M.K, Hansen, T, Schoenheit, P, Davies, C. | Deposit date: | 2004-07-09 | Release date: | 2004-07-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | A novel phosphoglucose/phosphomannose isomease from the crenarchaeon Pyrobaculum aerophilum is a member of the PGI superfamily: structural evidence at 1.16 A resolution J.Biol.Chem., 279, 2004
|
|
6HUJ
| CryoEM structure of human full-length heteromeric alpha1beta3gamma2L GABA(A)R in complex with picrotoxin, GABA and megabody Mb38. | Descriptor: | (1aR,2aR,3S,6R,6aS,8aS,8bR,9R)-2a-hydroxy-8b-methyl-9-(prop-1-en-2-yl)hexahydro-3,6-methano-1,5,7-trioxacyclopenta[ij]c yclopropa[a]azulene-4,8(3H)-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GAMMA-AMINO-BUTANOIC ACID, ... | Authors: | Masiulis, S, Desai, R, Uchanski, T, Serna Martin, I, Laverty, D, Karia, D, Malinauskas, T, Jasenko, Z, Pardon, E, Kotecha, A, Steyaert, J, Miller, K.W, Aricescu, A.R. | Deposit date: | 2018-10-08 | Release date: | 2019-01-02 | Last modified: | 2024-10-16 | Method: | ELECTRON MICROSCOPY (3.04 Å) | Cite: | GABAAreceptor signalling mechanisms revealed by structural pharmacology. Nature, 565, 2019
|
|
1TZB
| Crystal structure of native phosphoglucose/phosphomannose isomerase from Pyrobaculum aerophilum | Descriptor: | GLYCEROL, SULFATE ION, glucose-6-phosphate isomerase, ... | Authors: | Swan, M.K, Hansen, T, Schoenheit, P, Davies, C. | Deposit date: | 2004-07-09 | Release date: | 2004-07-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | A novel phosphoglucose/phosphomannose isomease from the crenarchaeon Pyrobaculum aerophilum is a member of the PGI superfamily: structural evidence at 1.16 A resolution J.Biol.Chem., 279, 2004
|
|
6HUP
| CryoEM structure of human full-length alpha1beta3gamma2L GABA(A)R in complex with diazepam (Valium), GABA and megabody Mb38. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-CHLORO-1-METHYL-5-PHENYL-1,3-DIHYDRO-2H-1,4-BENZODIAZEPIN-2-ONE, GAMMA-AMINO-BUTANOIC ACID, ... | Authors: | Masiulis, S, Desai, R, Uchanski, T, Serna Martin, I, Laverty, D, Karia, D, Malinauskas, T, Jasenko, Z, Pardon, E, Kotecha, A, Steyaert, J, Miller, K.W, Aricescu, A.R. | Deposit date: | 2018-10-09 | Release date: | 2019-01-02 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3.58 Å) | Cite: | GABAAreceptor signalling mechanisms revealed by structural pharmacology. Nature, 565, 2019
|
|