6D4U
| M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 27 (VCC663664) | 分子名称: | 2-(2,4-dimethoxyphenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase | 著者 | Ascher, D.B, Pacitto, A, Blundell, T.L. | 登録日 | 2018-04-18 | 公開日 | 2019-05-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH. Eur.J.Med.Chem., 174, 2019
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6D4W
| M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 35 (VCC620637) | 分子名称: | 2-(4-fluorophenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase | 著者 | Ascher, D.B, Pacitto, A, Blundell, T.L. | 登録日 | 2018-04-18 | 公開日 | 2019-05-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH. Eur.J.Med.Chem., 174, 2019
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6D4T
| M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 45 (VCC117054) | 分子名称: | (2S)-N-(2H-1,3-benzodioxol-5-yl)-4-[(isoquinolin-5-yl)sulfonyl]-2-methylpiperazine-1-carboxamide, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase | 著者 | Ascher, D.B, Pacitto, A, Blundell, T.L. | 登録日 | 2018-04-18 | 公開日 | 2019-05-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH. Eur.J.Med.Chem., 174, 2019
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6D4S
| M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 37 (VCC670597) | 分子名称: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, N-(2,3-dichlorophenyl)-4-[(isoquinolin-5-yl)sulfonyl]piperazine-1-carboxamide | 著者 | Ascher, D.B, Pacitto, A, Blundell, T.L. | 登録日 | 2018-04-18 | 公開日 | 2019-05-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH. Eur.J.Med.Chem., 174, 2019
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6D4Q
| M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 14 (VCC900455) | 分子名称: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, cycloheptyl{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}methanone | 著者 | Ascher, D.B, Pacitto, A, Blundell, T.L. | 登録日 | 2018-04-18 | 公開日 | 2019-05-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH. Eur.J.Med.Chem., 174, 2019
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5J5R
| M. thermoresistible GuaB2 delta-CBS in complex with inhibitor VCC234718 | 分子名称: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, cyclohexyl{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}methanone | 著者 | Pacitto, A, Ascher, D.B, Blundell, T.L. | 登録日 | 2016-04-03 | 公開日 | 2016-10-19 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | The Inosine Monophosphate Dehydrogenase, GuaB2, Is a Vulnerable New Bactericidal Drug Target for Tuberculosis. ACS Infect Dis, 3, 2017
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7SVT
| Mycobacterium tuberculosis 3-hydroxyl-ACP dehydratase HadAB in complex with 1,3-diarylpyrazolyl-acylsulfonamide inhibitor | 分子名称: | (3R)-hydroxyacyl-ACP dehydratase subunit HadB, 1,2-ETHANEDIOL, 3-[1-(4-bromophenyl)-3-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-(methanesulfonyl)propanamide, ... | 著者 | Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | 登録日 | 2021-11-19 | 公開日 | 2022-11-16 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | 1,3-Diarylpyrazolyl-acylsulfonamides Target HadAB/BC Complex in Mycobacterium tuberculosis . Acs Infect Dis., 8, 2022
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5OU1
| M. thermoresistible IMPDH in complex with IMP and Compound 1 (7759844) | 分子名称: | (2~{S})-~{N}-(4-iodophenyl)-2-(4-methoxyphenoxy)propanamide, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase | 著者 | Ascher, D.B, Pacitto, A, Blundell, T.L. | 登録日 | 2017-08-23 | 公開日 | 2018-03-28 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Fragment-Based Approach to Targeting Inosine-5'-monophosphate Dehydrogenase (IMPDH) from Mycobacterium tuberculosis. J. Med. Chem., 61, 2018
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5OU3
| M. thermoresistible IMPDH in complex with IMP and Compound 31 (AT080) | 分子名称: | (2~{S})-~{N}-[5-(4-bromophenyl)-1~{H}-imidazol-2-yl]-2-[4-(1-methylimidazol-4-yl)phenoxy]propanamide, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase | 著者 | Ascher, D.B, Pacitto, A, Blundell, T.L. | 登録日 | 2017-08-23 | 公開日 | 2018-03-28 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Fragment-Based Approach to Targeting Inosine-5'-monophosphate Dehydrogenase (IMPDH) from Mycobacterium tuberculosis. J. Med. Chem., 61, 2018
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5OU2
| M. thermoresistible IMPDH in complex with IMP and Compound 2 (NMR744) | 分子名称: | 4-(4-bromophenyl)-1H-imidazole, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase | 著者 | Ascher, D.B, Pacitto, A, Blundell, T.L. | 登録日 | 2017-08-23 | 公開日 | 2018-03-28 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Fragment-Based Approach to Targeting Inosine-5'-monophosphate Dehydrogenase (IMPDH) from Mycobacterium tuberculosis. J. Med. Chem., 61, 2018
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8GF7
| Cryo-EM structure of serine 87 O-GlcNAc-modified alpha-synuclein fibrils | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-synuclein | 著者 | Balana, J.A, Nguyen, A.B, Saelices, L, Pratt, R.M. | 登録日 | 2023-03-07 | 公開日 | 2023-11-08 | 最終更新日 | 2024-05-15 | 実験手法 | ELECTRON MICROSCOPY (4.8 Å) | 主引用文献 | O-GlcNAc forces an alpha-synuclein amyloid strain with notably diminished seeding and pathology. Nat.Chem.Biol., 20, 2024
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8E7J
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8GO9
| Structure of beta-arrestin2 in complex with a phosphopeptide corresponding to the human Atypical chemokine receptor 2, ACKR2 (D6R) | 分子名称: | Atypical chemokine receptor 2, Beta-arrestin-2, Fab30 Heavy Chain, ... | 著者 | Maharana, J, Sarma, P, Yadav, M.K, Banerjee, R, Shukla, A.K. | 登録日 | 2022-08-24 | 公開日 | 2023-12-27 | 最終更新日 | 2024-01-17 | 実験手法 | ELECTRON MICROSCOPY (3.35 Å) | 主引用文献 | Molecular insights into atypical modes of beta-arrestin interaction with seven transmembrane receptors. Science, 383, 2024
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8I9A
| Structure of EP54-C3aR-Gq complex | 分子名称: | Antibody fragment - ScFv16, C3a anaphylatoxin chemotactic receptor, EP54 ligand, ... | 著者 | Yadav, M.K, Yadav, R, Maharana, J, Sarma, P, Banerjee, R, Shukla, A.K, Gati, C. | 登録日 | 2023-02-06 | 公開日 | 2023-10-18 | 最終更新日 | 2023-11-08 | 実験手法 | ELECTRON MICROSCOPY (3.57 Å) | 主引用文献 | Molecular basis of anaphylatoxin binding, activation, and signaling bias at complement receptors. Cell, 186, 2023
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8IA2
| Structure of C5a bound human C5aR1 in complex with Go (Composite map) | 分子名称: | Antibody fragment - ScFv16, C5a anaphylatoxin, C5a anaphylatoxin chemotactic receptor 1, ... | 著者 | Yadav, M.K, Yadav, R, Maharana, J, Banerjee, R, Shukla, A.K, Gati, C. | 登録日 | 2023-02-07 | 公開日 | 2023-10-18 | 最終更新日 | 2023-11-08 | 実験手法 | ELECTRON MICROSCOPY (3.21 Å) | 主引用文献 | Molecular basis of anaphylatoxin binding, activation, and signaling bias at complement receptors. Cell, 186, 2023
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8I95
| Structure of EP54-C3aR-Go complex | 分子名称: | Antibody fragment - ScFv16, C3a anaphylatoxin chemotactic receptor, EP54 ligand, ... | 著者 | Yadav, M.K, Yadav, R, Maharana, J, Sarma, P, Banerjee, R, Shukla, A.K, Gati, C. | 登録日 | 2023-02-06 | 公開日 | 2023-10-18 | 最終更新日 | 2023-11-08 | 実験手法 | ELECTRON MICROSCOPY (2.88 Å) | 主引用文献 | Molecular basis of anaphylatoxin binding, activation, and signaling bias at complement receptors. Cell, 186, 2023
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8I9S
| Structure of Apo-C3aR-Go complex (Titan) | 分子名称: | Antibody fragment - ScFv16, C3a anaphylatoxin chemotactic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | 著者 | Yadav, M.K, Yadav, R, Maharana, J, Sarma, P, Banerjee, R, Shukla, A.K, Gati, C. | 登録日 | 2023-02-07 | 公開日 | 2023-10-18 | 最終更新日 | 2023-11-08 | 実験手法 | ELECTRON MICROSCOPY (3.26 Å) | 主引用文献 | Molecular basis of anaphylatoxin binding, activation, and signaling bias at complement receptors. Cell, 186, 2023
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8J6D
| Structure of EP141-C3aR-Go complex | 分子名称: | Antibody fragment - ScFv16, C3a anaphylatoxin chemotactic receptor, EP141 peptide agonist, ... | 著者 | Yadav, M.K, Yadav, R, Maharana, J, Sarma, P, Banerjee, R, Shukla, A.K, Gati, C. | 登録日 | 2023-04-25 | 公開日 | 2023-10-18 | 最終更新日 | 2023-11-08 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Molecular basis of anaphylatoxin binding, activation, and signaling bias at complement receptors. Cell, 186, 2023
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8I9L
| Structure of C3a-C3aR-Go complex (Composite map) | 分子名称: | Antibody fragment - ScFv16, C3a anaphylatoxin, C3a anaphylatoxin chemotactic receptor, ... | 著者 | Yadav, M.K, Yadav, R, Maharana, J, Sarma, P, Banerjee, R, Shukla, A.K, Gati, C. | 登録日 | 2023-02-07 | 公開日 | 2023-10-18 | 最終更新日 | 2023-11-08 | 実験手法 | ELECTRON MICROSCOPY (3.18 Å) | 主引用文献 | Molecular basis of anaphylatoxin binding, activation, and signaling bias at complement receptors. Cell, 186, 2023
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8I97
| Structure of Apo-C3aR-Go complex (Glacios) | 分子名称: | Antibody fragment - ScFv16, C3a anaphylatoxin chemotactic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | 著者 | Yadav, M.K, Yadav, R, Maharana, J, Sarma, P, Banerjee, R, Shukla, A.K, Gati, C. | 登録日 | 2023-02-06 | 公開日 | 2023-10-18 | 最終更新日 | 2023-11-08 | 実験手法 | ELECTRON MICROSCOPY (3.19 Å) | 主引用文献 | Molecular basis of anaphylatoxin binding, activation, and signaling bias at complement receptors. Cell, 186, 2023
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8IYW
| Structure of GSK256073-GPR109A-G-protein complex | 分子名称: | 8-chloranyl-3-pentyl-7H-purine-2,6-dione, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | 著者 | Yadav, M.K, Sarma, P, Chami, M, Banerjee, R, Shukla, A.K. | 登録日 | 2023-04-06 | 公開日 | 2024-03-06 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (3.45 Å) | 主引用文献 | Structure-guided engineering of biased-agonism in the human niacin receptor via single amino acid substitution. Nat Commun, 15, 2024
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8IY9
| Structure of Niacin-GPR109A-G protein complex | 分子名称: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(o) subunit alpha, ... | 著者 | Yadav, M.K, Sarma, P, Chami, M, Banerjee, R, Shukla, A.K. | 登録日 | 2023-04-04 | 公開日 | 2024-03-06 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (3.37 Å) | 主引用文献 | Structure-guided engineering of biased-agonism in the human niacin receptor via single amino acid substitution. Nat Commun, 15, 2024
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8IYH
| Structure of MK6892-GPR109A-G-protein complex | 分子名称: | 2-[[2,2-dimethyl-3-[3-(5-oxidanylpyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]cyclohexene-1-carboxylic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | 著者 | Yadav, M.K, Sarma, P, Chami, M, Banerjee, R, Shukla, A.K. | 登録日 | 2023-04-04 | 公開日 | 2024-03-06 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Structure-guided engineering of biased-agonism in the human niacin receptor via single amino acid substitution. Nat Commun, 15, 2024
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8JZZ
| Structure of human C5a-desArg bound human C5aR1 in complex with Go | 分子名称: | Antibody fragment ScFv16, C5a anaphylatoxin, C5a anaphylatoxin chemotactic receptor 1, ... | 著者 | Yadav, M.K, Yadav, R, Maharana, J, Sarma, P, Banerjee, R, Shukla, A.K, Gati, C. | 登録日 | 2023-07-06 | 公開日 | 2023-10-18 | 最終更新日 | 2023-11-08 | 実験手法 | ELECTRON MICROSCOPY (3.31 Å) | 主引用文献 | Molecular basis of anaphylatoxin binding, activation, and signaling bias at complement receptors. Cell, 186, 2023
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8J8Z
| Structure of beta-arrestin1 in complex with D6Rpp | 分子名称: | Atypical chemokine receptor 2, Beta-arrestin-1, Fab30 Heavy Chain, ... | 著者 | Maharana, J, Sarma, P, Yadav, M.K, Chami, M, Banerjee, R, Shukla, A.K. | 登録日 | 2023-05-02 | 公開日 | 2023-12-27 | 最終更新日 | 2024-01-17 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Molecular insights into atypical modes of beta-arrestin interaction with seven transmembrane receptors. Science, 383, 2024
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