4P8P
 
 | | Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor QN127 | | 分子名称: | (2R)-2-{[(2R)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol, 3-[(4-chlorobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 著者 | Neres, J, Pojer, F, Cole, S.T. | | 登録日 | 2014-03-31 | | 公開日 | 2014-12-10 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | 2-Carboxyquinoxalines Kill Mycobacterium tuberculosis through Noncovalent Inhibition of DprE1.
Acs Chem.Biol., 10, 2015
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4P8T
 | | Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor QN129 | | 分子名称: | (2R)-2-{[(2R)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol, 3-[(4-cyanobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 著者 | Neres, J, Pojer, F, Cole, S.T. | | 登録日 | 2014-04-01 | | 公開日 | 2014-12-10 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | 2-Carboxyquinoxalines Kill Mycobacterium tuberculosis through Noncovalent Inhibition of DprE1.
Acs Chem.Biol., 10, 2015
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4P8N
 | | Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor QN118 | | 分子名称: | 3-[(3-fluoro-4-methoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, IMIDAZOLE, ... | | 著者 | Neres, J, Pojer, F, Cole, S.T. | | 登録日 | 2014-03-31 | | 公開日 | 2014-12-10 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | 2-Carboxyquinoxalines Kill Mycobacterium tuberculosis through Noncovalent Inhibition of DprE1.
Acs Chem.Biol., 10, 2015
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4P8K
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4P8L
 | | Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor Ty36c | | 分子名称: | 3-[(4-fluorobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, IMIDAZOLE, ... | | 著者 | Neres, J, Pojer, F, Cole, S.T. | | 登録日 | 2014-03-31 | | 公開日 | 2014-12-10 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | 2-Carboxyquinoxalines Kill Mycobacterium tuberculosis through Noncovalent Inhibition of DprE1.
Acs Chem.Biol., 10, 2015
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4P8C
 | | Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor QN127 | | 分子名称: | (2R)-2-{[(2R)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol, 6-(trifluoromethyl)-3-{[4-(trifluoromethyl)benzyl]amino}quinoxaline-2-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 著者 | Neres, J, Pojer, F, Cole, S.T. | | 登録日 | 2014-03-31 | | 公開日 | 2014-12-10 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | 2-Carboxyquinoxalines Kill Mycobacterium tuberculosis through Noncovalent Inhibition of DprE1.
Acs Chem.Biol., 10, 2015
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4P8M
 | | Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor QN114 | | 分子名称: | (2R)-2-{[(2R)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol, 3-[(4-ethoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 著者 | Neres, J, Pojer, F, Cole, S.T. | | 登録日 | 2014-03-31 | | 公開日 | 2014-12-10 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | 2-Carboxyquinoxalines Kill Mycobacterium tuberculosis through Noncovalent Inhibition of DprE1.
Acs Chem.Biol., 10, 2015
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4P8Y
 | | Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor Ty21c | | 分子名称: | 3-[(4-methoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, IMIDAZOLE, ... | | 著者 | Neres, J, Pojer, F, Cole, S.T. | | 登録日 | 2014-04-01 | | 公開日 | 2014-12-10 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | 2-Carboxyquinoxalines Kill Mycobacterium tuberculosis through Noncovalent Inhibition of DprE1.
Acs Chem.Biol., 10, 2015
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6YWC
 | | De novo designed protein 4E1H_95 in complex with 101F antibody | | 分子名称: | Antibody 101F, Heavy Chain, light chain, ... | | 著者 | Yang, C, Sesterhenn, F, Pojer, F, Correia, B.E. | | 登録日 | 2020-04-29 | | 公開日 | 2020-10-07 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Bottom-up de novo design of functional proteins with complex structural features.
Nat.Chem.Biol., 17, 2021
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6XXV
 | | Crystal Structure of a computationally designed Immunogen S2_1.2 in complex with its elicited antibody C57 | | 分子名称: | Antibody C57, Heavy Chain, Light Chain, ... | | 著者 | Yang, C, Sesterhenn, F, Correia, B.E, Pojer, F. | | 登録日 | 2020-01-28 | | 公開日 | 2020-04-22 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.20116425 Å) | | 主引用文献 | De novo protein design enables the precise induction of RSV-neutralizing antibodies.
Science, 368, 2020
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6YWD
 | | De novo designed protein 4H_01 in complex with Mota antibody | | 分子名称: | Antibody Mota, Heavy Chain, Light Chain, ... | | 著者 | Yang, C, Sesterhenn, F, Pojer, F, Correia, B.E. | | 登録日 | 2020-04-29 | | 公開日 | 2020-10-07 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Bottom-up de novo design of functional proteins with complex structural features.
Nat.Chem.Biol., 17, 2021
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4EUI
 | | Crystal Structure of MIF L46F mutant | | 分子名称: | Macrophage migration inhibitory factor, SULFATE ION | | 著者 | Ashrafi, A, Pojer, F, Lashuel, H. | | 登録日 | 2012-04-25 | | 公開日 | 2012-10-03 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Characterization of molecular determinants of the conformational stability of macrophage migration inhibitory factor: leucine 46 hydrophobic pocket.
Plos One, 7, 2012
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4ETG
 | | Crystal Structure of MIF L46G mutant | | 分子名称: | Macrophage migration inhibitory factor, SULFATE ION | | 著者 | Ashrafi, A, Pojer, F, Lashuel, H. | | 登録日 | 2012-04-24 | | 公開日 | 2012-10-03 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | | 主引用文献 | Characterization of molecular determinants of the conformational stability of macrophage migration inhibitory factor: leucine 46 hydrophobic pocket.
Plos One, 7, 2012
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4EVG
 | | Crystal Structure of MIF L46A mutant | | 分子名称: | Macrophage migration inhibitory factor, SULFATE ION | | 著者 | Ashrafi, A, Pojer, F, Lashuel, H. | | 登録日 | 2012-04-26 | | 公開日 | 2012-10-03 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Characterization of molecular determinants of the conformational stability of macrophage migration inhibitory factor: leucine 46 hydrophobic pocket.
Plos One, 7, 2012
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7ZAK
 | | Crystal structure of HLA-DP (DPA1*02:01-DPB1*01:01) in complex with a peptide | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, MAGNESIUM ION, ... | | 著者 | Racle, J, Guillaume, P, Larabi, A, Lau, K, Pojer, F, Gfeller, D. | | 登録日 | 2022-03-22 | | 公開日 | 2023-03-29 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Machine learning predictions of MHC-II specificities reveal alternative binding mode of class II epitopes.
Immunity, 56, 2023
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7ZJR
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7ZV3
 | | Crystal structure of indoleamine 2,3-dioxygenase 1 (IDO1) in complex with ferric heme and MMG-0472 | | 分子名称: | 4-(3-chloro-2-phenethylphenyl)-1H-1,2,3-triazole, GLYCEROL, Indoleamine 2,3-dioxygenase 1, ... | | 著者 | Roehrig, U.F, Reynaud, A, Pojer, F, Michielin, O, Zoete, V. | | 登録日 | 2022-05-13 | | 公開日 | 2022-07-06 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.551 Å) | | 主引用文献 | Structure-based optimization of type III indoleamine 2,3-dioxygenase 1 (IDO1) inhibitors.
J Enzyme Inhib Med Chem, 37, 2022
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7ZFR
 | | Crystal structure of HLA-DP (DPA1*02:01-DPB1*01:01) in complex with a peptide bound in the reverse direction | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MHC class II HLA-DP alpha chain (DPA1*02:01), MHC class II HLA-DP beta chain (DPB1*01:01), ... | | 著者 | Racle, J, Guillaume, P, Larabi, A, Lau, K, Pojer, F, Gfeller, D. | | 登録日 | 2022-04-01 | | 公開日 | 2023-04-12 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Machine learning predictions of MHC-II specificities reveal alternative binding mode of class II epitopes.
Immunity, 56, 2023
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4AUT
 | | Crystal structure of the tuberculosis drug target Decaprenyl- Phosphoryl-beta-D-Ribofuranose-2-oxidoreductase (DprE1) from Mycobacterium smegmatis | | 分子名称: | DECAPRENYL-PHOSPHORYL-BETA-D-RIBOFURANOSE-2-OXIDOREDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE | | 著者 | Neres, J, Pojer, F, Molteni, E, Chiarelli, L.R, Dhar, N, Boy-Rottger, S, Buroni, S, Fullam, E, Degiacomi, G, Lucarelli, A, Read, R.J, Zanoni, G, Edmondson, D.E, De Rossi, E, Pasca, M, Riccardi, G, Mattevi, A, Dyson, P.J, Cole, S.T, Binda, C. | | 登録日 | 2012-05-21 | | 公開日 | 2012-09-05 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural Basis for Benzothiazinone-Mediated Killing of Mycobacterium Tuberculosis.
Sci. Transl. Med., 4, 2012
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4DOO
 | | Crystal structure of Arabidopsis thaliana fatty-acid binding protein At3g63170 (AtFAP1) | | 分子名称: | Chalcone-flavanone isomerase family protein, LAURIC ACID, POTASSIUM ION | | 著者 | Noel, J.P, Pojer, F, Louie, G.V, Bowman, M.E. | | 登録日 | 2012-02-09 | | 公開日 | 2012-05-09 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Evolution of the chalcone-isomerase fold from fatty-acid binding to stereospecific catalysis.
Nature, 485, 2012
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4F4Q
 | | Crystal structure of M. smegmatis DprE1 in complex with FAD and covalently bound BTZ043 | | 分子名称: | 8-(hydroxyamino)-2-[(2S)-2-methyl-1,4-dioxa-8-azaspiro[4.5]dec-8-yl]-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one, DprE1, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 著者 | Neres, J, Pojer, F, Molteni, E, Chiarelli, L, Riccardi, G, Mattevi, A, Cole, S.T, Binda, C. | | 登録日 | 2012-05-11 | | 公開日 | 2012-09-05 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.619 Å) | | 主引用文献 | Structural Basis for Benzothiazinone-Mediated Killing of Mycobacterium tuberculosis.
Sci Transl Med, 4, 2012
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4CVY
 | | Crystal structure of the M. tuberculosis sulfate ester dioxygenase Rv3406 in complex with iron. | | 分子名称: | DIOXYGENASE RV3406/MT3514, FE (III) ION, NITRATE ION | | 著者 | Neres, J, Hartkoorn, R.C, Chiarelli, L.R, Gadupudi, R, Pasca, M, Mori, G, Farina, D, Salina, S, Makarov, V, Kolly, G.S, Molteni, E, Binda, C, Dhar, N, Ferrari, S, Brodin, P, Delorme, V, Landry, V, de Jesus Lopes Ribeiro, A.L, Saxena, P, Pojer, F, Venturelli, A, Carta, A, Luciani, R, Porta, A, Zanoni, G, De Rossi, E, Costi, M.P, Riccardi, G, Cole, S.T. | | 登録日 | 2014-03-31 | | 公開日 | 2014-12-10 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | 2-Carboxyquinoxalines Kill Mycobacterium Tuberculosis Through Noncovalent Inhibition of Dpre1.
Acs Chem.Biol., 10, 2015
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4XWY
 | | Crystal structure of human sepiapterin reductase in complex with an N-acetylserotinin analogue | | 分子名称: | N-[2-(5-hydroxy-2-methyl-1H-indol-3-yl)ethyl]-2-methoxyacetamide, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ... | | 著者 | Johnsson, K, Hovius, R, Gorszka, K.I, Pojer, F. | | 登録日 | 2015-01-29 | | 公開日 | 2015-07-01 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Reduction of Neuropathic and Inflammatory Pain through Inhibition of the Tetrahydrobiopterin Pathway.
Neuron, 86, 2015
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7AYE
 | | Crystal structure of the computationally designed chemically disruptable heterodimer LD6-MDM2 | | 分子名称: | Isoform 11 of E3 ubiquitin-protein ligase Mdm2, Thiol:disulfide interchange protein DsbD | | 著者 | Yang, C, Lau, K, Pojer, F, Correia, B.E. | | 登録日 | 2020-11-12 | | 公開日 | 2021-08-18 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | A rational blueprint for the design of chemically-controlled protein switches.
Nat Commun, 12, 2021
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7ZBD
 | | HaloTag with TRaQ-G ligand | | 分子名称: | (10R)-7-azanyl-N-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-2'-cyano-5,5-dimethyl-3-(methylamino)-1'-oxidanylidene-spiro[benzo[b][1]benzosiline-10,3'-isoindole]-5'-carboxamide, CHLORIDE ION, GLYCEROL, ... | | 著者 | Emmert, S, Rivera-Fuentes, P, Pojer, F, Lau, K. | | 登録日 | 2022-03-23 | | 公開日 | 2023-02-01 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | A locally activatable sensor for robust quantification of organellar glutathione.
Nat.Chem., 15, 2023
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