6OW2
| X-ray Structure of Polypeptide Deformylase | Descriptor: | (2R)-2-(cyclopentylmethyl)-N'-{5-fluoro-6-[(9aS)-hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl]-2-methylpyrimidin-4-yl}-3-[hydroxy(hydroxymethyl)amino]propanehydrazide, NICKEL (II) ION, Peptide deformylase | Authors: | Campobasso, N, Spletstoser, J, Ward, P. | Deposit date: | 2019-05-09 | Release date: | 2019-06-26 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of piperazic acid peptide deformylase inhibitors with in vivo activity for respiratory tract and skin infections. Bioorg.Med.Chem.Lett., 29, 2019
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7XGA
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3SW8
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3SVJ
| Strep Peptide Deformylase with a time dependent thiazolidine amide | Descriptor: | (4R)-3-(4-[4-(2-chlorophenyl)piperazin-1-yl]-6-{[2-methyl-6-(methylcarbamoyl)phenyl]amino}-1,3,5-triazin-2-yl)-N-methyl-1,3-thiazolidine-4-carboxamide, GLYCEROL, NICKEL (II) ION, ... | Authors: | Campobasso, N, Ward, P. | Deposit date: | 2011-07-12 | Release date: | 2011-07-27 | Last modified: | 2014-11-12 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Understanding the origins of time-dependent inhibition by polypeptide deformylase inhibitors. Biochemistry, 50, 2011
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3STR
| Strep Peptide Deformylase with a time dependent thiazolidine hydroxamic acid | Descriptor: | (4R)-3-(4-[4-(2-chlorophenyl)piperazin-1-yl]-6-{[2-methyl-6-(methylcarbamoyl)phenyl]amino}-1,3,5-triazin-2-yl)-N-[2-(hydroxyamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxamide, GLYCEROL, NICKEL (II) ION, ... | Authors: | Campobasso, N, Ward, P. | Deposit date: | 2011-07-11 | Release date: | 2011-07-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Understanding the origins of time-dependent inhibition by polypeptide deformylase inhibitors. Biochemistry, 50, 2011
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8WLS
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6LLQ
| Solution NMR structure of de novo Rossmann2x2 fold with most of the core mutated to valine, R2x2_VAL88 | Descriptor: | VAL88 | Authors: | Kobayashi, N, Sugiki, T, Fujiwara, T, Koga, R, Yamamoto, M, Kosugi, T, Koga, N. | Deposit date: | 2019-12-23 | Release date: | 2020-12-02 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Robust folding of a de novo designed ideal protein even with most of the core mutated to valine. Proc.Natl.Acad.Sci.USA, 117, 2020
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7BQS
| Solution NMR structure of fold-U Nomur; de novo designed protein with an asymmetric all-alpha topology | Descriptor: | Nomur | Authors: | Kobayashi, N, Nagashima, T, Sakuma, K, Kosugi, T, Koga, R, Koga, N. | Deposit date: | 2020-03-25 | Release date: | 2021-04-07 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Design of complicated all-alpha protein structures Nat.Struct.Mol.Biol., 2024
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7BQR
| Solution NMR structure of fold-K Mussoc; de novo designed protein with an asymmetric all-alpha topology | Descriptor: | Mussoc | Authors: | Kobayashi, N, Nagashima, T, Sakuma, K, Kosugi, T, Koga, R, Koga, N. | Deposit date: | 2020-03-25 | Release date: | 2021-04-07 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Design of complicated all-alpha protein structures Nat.Struct.Mol.Biol., 2024
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7BPM
| Solution NMR structure of NF2; de novo designed protein with a novel fold | Descriptor: | NF2 | Authors: | Kobayashi, N, Sugiki, T, Fujiwara, T, Minami, S, Koga, R, Chikenji, G, Koga, N. | Deposit date: | 2020-03-23 | Release date: | 2021-03-24 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Exploration of novel alpha-beta-protein folds through de novo design Nat.Struct.Mol.Biol., 2023
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7BQD
| Solution NMR structure of NF8 (knot fold); de novo designed protein with a novel fold | Descriptor: | NF8 | Authors: | Kobayashi, N, Sugiki, T, Fujiwara, T, Minami, S, Koga, R, Chikenji, G, Koga, N. | Deposit date: | 2020-03-24 | Release date: | 2021-03-24 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Exploration of novel alpha-beta-protein folds through de novo design Nat.Struct.Mol.Biol., 2023
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7BPN
| Solution NMR structure of NF7; de novo designed protein with a novel fold | Descriptor: | NF7 | Authors: | Kobayashi, N, Sugiki, T, Fujiwara, T, Minami, S, Koga, R, Chikenji, G, Koga, N. | Deposit date: | 2020-03-23 | Release date: | 2021-03-24 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Exploration of novel alpha-beta-protein folds through de novo design Nat.Struct.Mol.Biol., 2023
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7BPL
| Solution NMR structure of NF1; de novo designed protein with a novel fold | Descriptor: | NF1 | Authors: | Kobayashi, N, Sugiki, T, Fujiwara, T, Minami, S, Koga, R, Chikenji, G, Koga, N. | Deposit date: | 2020-03-23 | Release date: | 2021-03-24 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Exploration of novel alpha-beta-protein folds through de novo design Nat.Struct.Mol.Biol., 2023
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7BPP
| Solution NMR structure of NF5; de novo designed protein with a novel fold | Descriptor: | NF5 | Authors: | Kobayashi, N, Sugiki, T, Fujiwara, T, Minami, S, Koga, R, Chikenji, G, Koga, N. | Deposit date: | 2020-03-23 | Release date: | 2021-03-24 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Exploration of novel alpha-beta-protein folds through de novo design Nat.Struct.Mol.Biol., 2023
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6NPU
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6NPE
| C-abl Kinase domain with the activator(cmpd6), 2-cyano-N-(4-(3,4-dichlorophenyl)thiazol-2-yl)acetamide | Descriptor: | 2-cyano-~{N}-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]ethanamide, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, NONAETHYLENE GLYCOL, ... | Authors: | campobasso, N. | Deposit date: | 2019-01-17 | Release date: | 2019-03-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Identification and Optimization of Novel Small c-Abl Kinase Activators Using Fragment and HTS Methodologies. J. Med. Chem., 62, 2019
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6NPV
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7LCU
| X-ray structure of Furin bound to BOS-318, a small molecule inhibitor | Descriptor: | (1-{[2-(3,5-dichlorophenyl)-6-{[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxy}pyridin-4-yl]methyl}piperidin-4-yl)acetic acid, 1,2-ETHANEDIOL, CALCIUM ION, ... | Authors: | Campobasso, N, Reid, R. | Deposit date: | 2021-01-11 | Release date: | 2022-01-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | A highly selective, cell-permeable furin inhibitor BOS-318 rescues key features of cystic fibrosis airway disease. Cell Chem Biol, 29, 2022
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6OW7
| X-ray Structure of Polypeptide Deformylase with a Piperazic Acid | Descriptor: | (3S)-2-{(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl}-N-(pyridin-2-yl)hexahydropyridazine-3-carboxamide, NICKEL (II) ION, Peptide deformylase, ... | Authors: | Campobasso, N, Spletstoser, J, Ward, P. | Deposit date: | 2019-05-09 | Release date: | 2019-06-26 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Discovery of piperazic acid peptide deformylase inhibitors with in vivo activity for respiratory tract and skin infections. Bioorg.Med.Chem.Lett., 29, 2019
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6N4T
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7BQQ
| Solution NMR structure of fold-Z Gogy; de novo designed protein with an asymmetric all-alpha topology | Descriptor: | Gogy | Authors: | Kobayashi, N, Sugiki, T, Fujiwara, T, Sakuma, K, Kosugi, T, Koga, R, Koga, N. | Deposit date: | 2020-03-25 | Release date: | 2021-04-07 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Design of complicated all-alpha protein structures Nat.Struct.Mol.Biol., 2024
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7BQM
| Solution NMR structure of fold-0 Chantal; de novo designed protein with an asymmetric all-alpha topology | Descriptor: | Chantal | Authors: | Kobayashi, N, Sugiki, T, Fujiwara, T, Sakuma, K, Kosugi, T, Koga, R, Koga, N. | Deposit date: | 2020-03-25 | Release date: | 2021-04-07 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Design of complicated all-alpha protein structures Nat.Struct.Mol.Biol., 2024
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7BQN
| Solution NMR structure of fold-C Rei; de novo designed protein with an asymmetric all-alpha topology | Descriptor: | Rei | Authors: | Kobayashi, N, Sugiki, T, Fujiwara, T, Sakuma, K, Kosugi, T, Koga, R, Koga, N. | Deposit date: | 2020-03-25 | Release date: | 2021-04-07 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Design of complicated all-alpha protein structures Nat.Struct.Mol.Biol., 2024
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4THI
| THIAMINASE I FROM BACILLUS THIAMINOLYTICUS WITH COVALENTLY BOUND 4-AMINO-2,5-DIMETHYLPYRIMIDINE | Descriptor: | 2,5-DIMETHYL-PYRIMIDIN-4-YLAMINE, PROTEIN (THIAMINASE I), SULFATE ION | Authors: | Campobasso, N, Begley, T.P, Ealick, S.E. | Deposit date: | 1998-10-05 | Release date: | 1998-10-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of thiaminase-I from Bacillus thiaminolyticus at 2.0 A resolution. Biochemistry, 37, 1998
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7BQE
| Solution NMR structure of NF3; de novo designed protein with a novel fold | Descriptor: | NF3 | Authors: | Kobayashi, N, Sugiki, T, Fujiwara, T, Minami, S, Koga, R, Chikenji, G, Koga, N. | Deposit date: | 2020-03-24 | Release date: | 2021-03-24 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Exploration of novel alpha-beta-protein folds through de novo design Nat.Struct.Mol.Biol., 2023
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