6D8W
 
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9FX5
 | | Crystal structure of Cryo2RT Thaumatin at 296K | | Descriptor: | L(+)-TARTARIC ACID, Thaumatin I | | Authors: | Huang, C.Y, Aumonier, S, Olieric, V, Wang, M. | | Deposit date: | 2024-07-01 | | Release date: | 2024-07-31 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (1.592 Å) | | Cite: | Cryo2RT: a high-throughput method for room-temperature macromolecular crystallography from cryo-cooled crystals.
Acta Crystallogr D Struct Biol, 80, 2024
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1NPG
 | | MYOGLOBIN (HORSE HEART) WILD-TYPE COMPLEXED WITH NITROSOETHANE | | Descriptor: | Myoglobin, NITROSOETHANE, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Copeland, D.M, West, A.H, Richter-Addo, G.B. | | Deposit date: | 2003-01-17 | | Release date: | 2003-11-11 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structures of ferrous horse heart myoglobin complexed with nitric oxide and nitrosoethane.
Proteins, 53, 2003
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3ZJU
 | | Ternary complex of E .coli leucyl-tRNA synthetase, tRNA(Leu) and the benzoxaborole AN3016 in the editing conformation | | Descriptor: | LEUCYL-TRNA SYNTHETASE, MAGNESIUM ION, TRNALEU5 UAA ISOACCEPTOR | | Authors: | Cusack, S, Palencia, A, Crepin, T, Hernandez, V, Akama, T, Baker, S.J, Bu, W, Feng, L, Freund, Y.R, Liu, L, Meewan, M, Mohan, M, Mao, W, Rock, F.L, Sexton, H, Sheoran, A, Zhang, Y, Zhang, Y, Zhou, Y, Nieman, J.A, Anugula, M.R, Keramane, E.M, Savariraj, K, Reddy, D.S, Sharma, R, Subedi, R, Singh, R, OLeary, A, Simon, N.L, DeMarsh, P.L, Mushtaq, S, Warner, M, Livermore, D.M, Alley, M.R.K, Plattner, J.J. | | Deposit date: | 2013-01-18 | | Release date: | 2013-04-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of a Novel Class of Boron-Based Antibacterials with Activity Against Gram-Negative Bacteria.
Antimicrob.Agents Chemother., 57, 2013
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1Y3B
 | | Crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 E60S mutant | | Descriptor: | CALCIUM ION, CITRIC ACID, POLYETHYLENE GLYCOL (N=34), ... | | Authors: | Radisky, E.S, Lu, C.J, Kwan, G, Koshland Jr, D.E. | | Deposit date: | 2004-11-24 | | Release date: | 2005-05-17 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Role of the intramolecular hydrogen bond network in the inhibitory power of chymotrypsin inhibitor 2
Biochemistry, 44, 2005
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1Y48
 | | Crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 R65A mutant | | Descriptor: | CALCIUM ION, CITRIC ACID, POLYETHYLENE GLYCOL (N=34), ... | | Authors: | Radisky, E.S, Lu, C.J, Kwan, G, Koshland Jr, D.E. | | Deposit date: | 2004-11-30 | | Release date: | 2005-05-17 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Role of the intramolecular hydrogen bond network in the inhibitory power of chymotrypsin inhibitor 2
Biochemistry, 44, 2005
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9FX6
 | | Crystal structure of Cryo2RT SARS-CoV-2 main protease at 100K | | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | | Authors: | Huang, C.Y, Aumonier, S, Mac Sweeney, A, Olieric, V, Wang, M. | | Deposit date: | 2024-07-01 | | Release date: | 2024-07-31 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (2.227 Å) | | Cite: | Cryo2RT: a high-throughput method for room-temperature macromolecular crystallography from cryo-cooled crystals.
Acta Crystallogr D Struct Biol, 80, 2024
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3BE1
 | | Dual specific bH1 Fab in complex with the extracellular domain of HER2/ErbB-2 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab Fragment-Heavy Chain, ... | | Authors: | Bostrom, J.M, Wiesmann, C, Appleton, B.A. | | Deposit date: | 2007-11-15 | | Release date: | 2008-11-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Variants of the antibody herceptin that interact with HER2 and VEGF at the antigen binding site
Science, 323, 2009
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9FX4
 | | Crystal structure of Cryo2RT Thaumatin at 100K | | Descriptor: | L(+)-TARTARIC ACID, Thaumatin I | | Authors: | Huang, C.Y, Aumonier, S, Olieric, V, Wang, M. | | Deposit date: | 2024-07-01 | | Release date: | 2024-07-31 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Cryo2RT: a high-throughput method for room-temperature macromolecular crystallography from cryo-cooled crystals.
Acta Crystallogr D Struct Biol, 80, 2024
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9BNQ
 | | N-(4-(isothiocyanatomethyl)phenyl)methanesulfonamide complexed with Macrophage Migration Inhibitory Factor | | Descriptor: | ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, N-{[4-(methanesulfonamido)phenyl]methyl}methanethioamide, ... | | Authors: | Fellner, M, Rutledge, M.T, Putha, L, Kok, L.K, Gamble, A.B, Wilbanks, S.M, Vernall, A.J, Tyndall, J.D.A. | | Deposit date: | 2024-05-02 | | Release date: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (1.09 Å) | | Cite: | Covalent isothiocyanate inhibitors of macrophage migration inhibitory factor as potential colorectal cancer treatments.
Chemmedchem, 2024
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5L3O
 | | Crystal Structure of Human Carbonic Anhydrase II in Complex with a Quinoline Oligoamide Foldamer | | Descriptor: | Aromatic foldamer, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Jewginski, M, Langlois d'Estaintot, B, Granier, T, Huc, Y. | | Deposit date: | 2016-05-24 | | Release date: | 2017-03-01 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Self-Assembled Protein-Aromatic Foldamer Complexes with 2:3 and 2:2:1 Stoichiometries.
J. Am. Chem. Soc., 139, 2017
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5L6K
 | | Crystal Structure of Human Carbonic Anhydrase II in Complex with a Quinoline Oligoamide Foldamer | | Descriptor: | Aromatic foldamer, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Jewginski, M, Langlois d'Estaintot, B, Granier, T, Huc, Y. | | Deposit date: | 2016-05-30 | | Release date: | 2017-03-01 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Self-Assembled Protein-Aromatic Foldamer Complexes with 2:3 and 2:2:1 Stoichiometries.
J. Am. Chem. Soc., 139, 2017
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5L6T
 | | CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A QUINOLINE OLIGOAMIDE FOLDAMER | | Descriptor: | Aromatic foldamer, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Vallade, M, Langlois d'Estaintot, B, Granier, T, Huc, I. | | Deposit date: | 2016-05-31 | | Release date: | 2017-06-21 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A QUINOLINE OLIGOAMIDE FOLDAMER
To Be Published
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9FX7
 | | Crystal structure of Cryo2RT SARS-CoV-2 main protease at 294K | | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | | Authors: | Huang, C.Y, Aumonier, S, Mac Sweeney, A, Olieric, V, Wang, M. | | Deposit date: | 2024-07-01 | | Release date: | 2024-07-31 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (2.282 Å) | | Cite: | Cryo2RT: a high-throughput method for room-temperature macromolecular crystallography from cryo-cooled crystals.
Acta Crystallogr D Struct Biol, 80, 2024
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5L9E
 | | CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A QUINOLINE OLIGOAMIDE FOLDAMER | | Descriptor: | Aromatic foldamer, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Vallade, M, Langlois d'Estaintot, B, Granier, T, Huc, I. | | Deposit date: | 2016-06-10 | | Release date: | 2017-06-21 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A QUINOLINE OLIGOAMIDE FOLDAMER
To Be Published
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5L70
 | | CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A QUINOLINE OLIGOAMIDE FOLDAMER | | Descriptor: | Aromatic foldamer, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Vallade, M, Langlois d'Estaintot, B, Granier, T, Huc, I. | | Deposit date: | 2016-06-01 | | Release date: | 2017-06-21 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A QUINOLINE OLIGOAMIDE FOLDAMER
To Be Published
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1UNU
 | | Structure Based Engineering of Internal Molecular Surfaces Of Four Helix Bundles | | Descriptor: | CHLORIDE ION, GENERAL CONTROL PROTEIN GCN4 | | Authors: | Yadav, M.K, Redman, J.E, Alvarez-Gutierrez, J.M, Zhang, Y, Stout, C.D, Ghadiri, M.R. | | Deposit date: | 2003-09-15 | | Release date: | 2004-10-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Structure-Based Engineering of Internal Cavities in Coiled-Coil Peptides
Biochemistry, 44, 2005
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3HRM
 | | Crystal structure of Staphylococcus aureus protein SarZ in sulfenic acid form | | Descriptor: | HTH-type transcriptional regulator sarZ | | Authors: | Poor, C.B, Duguid, E, Rice, P.A, He, C. | | Deposit date: | 2009-06-09 | | Release date: | 2009-07-07 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structures of the reduced, sulfenic acid, and mixed disulfide forms of SarZ, a redox active global regulator in Staphylococcus aureus.
J.Biol.Chem., 284, 2009
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1UMU
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3I6D
 | | Crystal structure of PPO from bacillus subtilis with AF | | Descriptor: | 5-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]-2-NITROBENZOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATE ION, ... | | Authors: | Shen, Y. | | Deposit date: | 2009-07-06 | | Release date: | 2009-12-08 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural insight into unique properties of protoporphyrinogen oxidase from Bacillus subtilis
J.Struct.Biol., 170, 2010
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1Q13
 | | Crystal structure of rabbit 20alpha hyroxysteroid dehydrogenase in ternary complex with NADP and testosterone | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Prostaglandin-E2 9-reductase, SULFATE ION, ... | | Authors: | Couture, J.-F, Cantin, L, Legrand, P, Luu-The, V, Labrie, F, Breton, R. | | Deposit date: | 2003-07-18 | | Release date: | 2004-11-16 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Loop relaxation, a mechanism that explains the reduced specificity of rabbit 20alpha-hydroxysteroid dehydrogenase, a member of the aldo-keto reductase superfamily.
J. Mol. Biol., 339, 2004
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5OWA
 | | Crystal structure of the human BRPF1 bromodomain in complex with BZ054 | | Descriptor: | Peregrin, ~{N}-[4-[[(3~{S},5~{R})-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide | | Authors: | Zhu, J, Caflisch, A. | | Deposit date: | 2017-08-31 | | Release date: | 2018-06-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
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6EK5
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6ANZ
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1M5U
 | | CRYSTAL STRUCTURE OF THE RESPONSE REGULATOR DIVK. STRUCTURE AT PH 8.0 IN THE APO-FORM | | Descriptor: | cell division response regulator DivK | | Authors: | Guillet, V, Ohta, N, Cabantous, S, Newton, A, Samama, J.-P, Structural Proteomics in Europe (SPINE) | | Deposit date: | 2002-07-10 | | Release date: | 2002-11-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Crystallographic and biochemical studies of DivK reveal novel features of an essential response regulator in Caulobacter crescentus
J.Biol.Chem., 277, 2002
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