6KW7
| Crystal structure of indoleamine 2,3-dioxygenagse 1 (IDO1) in complex with compound 12 | 分子名称: | 3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Peng, Y.H, Wu, S.Y. | 登録日 | 2019-09-06 | 公開日 | 2020-03-25 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (3.02 Å) | 主引用文献 | Unique Sulfur-Aromatic Interactions Contribute to the Binding of Potent Imidazothiazole Indoleamine 2,3-Dioxygenase Inhibitors. J.Med.Chem., 63, 2020
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6KPS
| Crystal structure of indoleamine 2,3-dioxygenagse 1 (IDO1) in complex with compound 36 | 分子名称: | 1-(4-cyanophenyl)-3-[[3-(2-cyclopropylethynyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]urea, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Peng, Y.H, Wu, S.Y. | 登録日 | 2019-08-16 | 公開日 | 2020-03-25 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.249 Å) | 主引用文献 | Unique Sulfur-Aromatic Interactions Contribute to the Binding of Potent Imidazothiazole Indoleamine 2,3-Dioxygenase Inhibitors. J.Med.Chem., 63, 2020
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6V52
| IDO1 IN COMPLEX WITH COMPOUND 1 | 分子名称: | 3-chloro-N-{4-[1-(propylcarbamoyl)cyclobutyl]phenyl}benzamide, Indoleamine 2,3-dioxygenase 1 | 著者 | Lesburg, C.A, Koenig, K.V, Augustin, M.A. | 登録日 | 2019-12-03 | 公開日 | 2020-04-08 | 最終更新日 | 2020-04-29 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Strategic Incorporation of Polarity in Heme-Displacing Inhibitors of Indoleamine-2,3-dioxygenase-1 (IDO1). Acs Med.Chem.Lett., 11, 2020
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7M63
| Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with IACS-70099 | 分子名称: | (2R)-N-(4-chlorophenyl)-2-[(1R,3S,5S,6r)-3-(5,6-difluoro-1H-benzimidazol-1-yl)bicyclo[3.1.0]hexan-6-yl]propanamide, Indoleamine 2,3-dioxygenase 1 | 著者 | Leonard, P.G, Cross, J.B. | 登録日 | 2021-03-25 | 公開日 | 2021-09-01 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Discovery of IACS-9779 and IACS-70465 as Potent Inhibitors Targeting Indoleamine 2,3-Dioxygenase 1 (IDO1) Apoenzyme. J.Med.Chem., 64, 2021
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7RRD
| IDO1 IN COMPLEX WITH COMPOUND S-1 | 分子名称: | 3-[4-(1H-benzimidazol-2-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide, Indoleamine 2,3-dioxygenase 1 | 著者 | Lesburg, C.A. | 登録日 | 2021-08-09 | 公開日 | 2022-08-24 | 実験手法 | X-RAY DIFFRACTION (2.76 Å) | 主引用文献 | Oxetane promise delivered: discovery of long acting IDO1 inhibitors suitable for Q3W oral or parenteral dosing To Be Published
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6WJY
| HUMAN IDO1 IN COMPLEX WITH COMPOUND 4-A | 分子名称: | 3-chloro-N-(3-{(2S)-1-[(4-fluorophenyl)amino]-1-oxopropan-2-yl}bicyclo[1.1.1]pentan-1-yl)benzamide, Indoleamine 2,3-dioxygenase 1 | 著者 | Lesburg, C.A, Lammens, A, Neumann, L. | 登録日 | 2020-04-14 | 公開日 | 2020-08-26 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | Discovery of Potent and Orally Available Bicyclo[1.1.1]pentane-Derived Indoleamine-2,3-dioxygenase 1 (IDO1) Inhibitors. Acs Med.Chem.Lett., 11, 2020
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7M7D
| Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with IACS-8968 | 分子名称: | (5S)-6,6-dimethyl-8-[(4S)-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Leonard, P.G, Cross, J.B. | 登録日 | 2021-03-27 | 公開日 | 2021-09-01 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Discovery of IACS-9779 and IACS-70465 as Potent Inhibitors Targeting Indoleamine 2,3-Dioxygenase 1 (IDO1) Apoenzyme. J.Med.Chem., 64, 2021
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7NGE
| Crystal structure of L-Trp/Indoleamine 2,3-dioxygenagse 1 (hIDO1) complex with the JK-loop refined in the closed conformation | 分子名称: | CHLORIDE ION, GLYCEROL, Indoleamine 2,3-dioxygenase 1, ... | 著者 | Mirgaux, M, Wouters, J. | 登録日 | 2021-02-09 | 公開日 | 2021-12-29 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Temporary Intermediates of L-Trp Along the Reaction Pathway of Human Indoleamine 2,3-Dioxygenase 1 and Identification of an Exo Site. Int J Tryptophan Res, 14, 2021
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7RRC
| IDO1 IN COMPLEX WITH COMPOUND 14 | 分子名称: | Indoleamine 2,3-dioxygenase 1, N-(4-fluorophenyl)-3-{4-[4-(hydroxymethyl)-6-(trifluoromethyl)pyridin-3-yl]phenyl}oxetane-3-carboxamide | 著者 | Lesburg, C.A. | 登録日 | 2021-08-09 | 公開日 | 2022-03-16 | 最終更新日 | 2022-05-11 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | Oxetane Promise Delivered: Discovery of Long-Acting IDO1 Inhibitors Suitable for Q3W Oral or Parenteral Dosing. J.Med.Chem., 65, 2022
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7RRB
| IDO1 IN COMPLEX WITH COMPOUND 9 | 分子名称: | 3-[4-(6-cyclopropylpyridin-3-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide, Indoleamine 2,3-dioxygenase 1 | 著者 | Lesburg, C.A. | 登録日 | 2021-08-09 | 公開日 | 2022-03-16 | 最終更新日 | 2022-05-11 | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | 主引用文献 | Oxetane Promise Delivered: Discovery of Long-Acting IDO1 Inhibitors Suitable for Q3W Oral or Parenteral Dosing. J.Med.Chem., 65, 2022
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5EK3
| Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with NLG919 analogue | 分子名称: | (1~{R})-1-cyclohexyl-2-[(5~{S})-5~{H}-imidazo[1,5-b]isoindol-5-yl]ethanol, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Peng, Y.H, Wu, J.S, Wu, S.Y. | 登録日 | 2015-11-03 | 公開日 | 2015-12-23 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.209 Å) | 主引用文献 | Important Hydrogen Bond Networks in Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitor Design Revealed by Crystal Structures of Imidazoleisoindole Derivatives with IDO1 J.Med.Chem., 59, 2016
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5EK4
| Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with NLG919 analogue | 分子名称: | (1~{R})-1-cyclohexyl-2-[(5~{S})-6-fluoranyl-5~{H}-imidazo[1,5-b]isoindol-5-yl]ethanol, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Wu, S.Y, Peng, Y.H, Wu, J.S. | 登録日 | 2015-11-03 | 公開日 | 2015-12-23 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | 主引用文献 | Important Hydrogen Bond Networks in Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitor Design Revealed by Crystal Structures of Imidazoleisoindole Derivatives with IDO1 J.Med.Chem., 59, 2016
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5EK2
| Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with NLG919 analogue | 分子名称: | 1-cyclohexyl-2-[(5~{S})-6-fluoranyl-5~{H}-imidazo[1,5-b]isoindol-5-yl]ethanone, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Peng, Y.H, Wu, J.S, Wu, S.Y. | 登録日 | 2015-11-03 | 公開日 | 2015-12-23 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | 主引用文献 | Important Hydrogen Bond Networks in Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitor Design Revealed by Crystal Structures of Imidazoleisoindole Derivatives with IDO1 J.Med.Chem., 59, 2016
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5ETW
| Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with NLG919 analogue | 分子名称: | (1~{R})-1-cyclohexyl-2-pyrido[3,4-b]indol-9-yl-ethanol, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Wu, S.Y, Peng, Y.H, Wu, J.S. | 登録日 | 2015-11-18 | 公開日 | 2016-02-10 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Important Hydrogen Bond Networks in Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitor Design Revealed by Crystal Structures of Imidazoleisoindole Derivatives with IDO1. J.Med.Chem., 59, 2016
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7AH4
| Crystal structure of indoleamine 2,3-dioxygenase 1 (IDO1) in complex with ferric heme and MMG-0363 | 分子名称: | 4-chloranyl-2-(2~{H}-1,2,3-triazol-4-yl)aniline, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Roehrig, U.F, Reynaud, A, Pojer, F, Michielin, O, Zoete, V. | 登録日 | 2020-09-24 | 公開日 | 2021-02-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.401 Å) | 主引用文献 | Azole-Based Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitors. J.Med.Chem., 64, 2021
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7AH6
| Crystal structure of indoleamine 2,3-dioxygenase 1 (IDO1) in complex with ferric heme and MMG-0752 | 分子名称: | 4-bromanyl-2-(4~{H}-1,2,4-triazol-3-yl)aniline, GLYCEROL, Indoleamine 2,3-dioxygenase 1, ... | 著者 | Roehrig, U.F, Reynaud, A, Pojer, F, Michielin, O, Zoete, V. | 登録日 | 2020-09-24 | 公開日 | 2021-02-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.998 Å) | 主引用文献 | Azole-Based Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitors. J.Med.Chem., 64, 2021
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7AH5
| Crystal structure of indoleamine 2,3-dioxygenase 1 (IDO1) in complex with ferric heme and MMG-0706 | 分子名称: | 4-chloranyl-2-(1~{H}-1,2,4-triazol-5-yl)aniline, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Roehrig, U.F, Reynaud, A, Pojer, F, Michielin, O, Zoete, V. | 登録日 | 2020-09-24 | 公開日 | 2021-02-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Azole-Based Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitors. J.Med.Chem., 64, 2021
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7B1O
| Crystal structure of the indoleamine 2,3-dioxygenase 1 (IDO1) in complex with compound 22 | 分子名称: | 4-chloranyl-N-[(1R)-1-[(1S,5R)-3-quinolin-4-yloxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide, Indoleamine 2,3-dioxygenase 1 | 著者 | Lammens, A, Krapp, S, Lewis, R.T, Hamilton, M.M. | 登録日 | 2020-11-25 | 公開日 | 2021-09-29 | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | 主引用文献 | Discovery of IACS-9779 and IACS-70465 as Potent Inhibitors Targeting Indoleamine 2,3-Dioxygenase 1 (IDO1) Apoenzyme. J.Med.Chem., 64, 2021
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7A62
| Structure of human indoleamine-2,3-dioxygenase 1 (hIDO1) with a complete JK loop | 分子名称: | CHLORIDE ION, GLYCEROL, Indoleamine 2,3-dioxygenase 1, ... | 著者 | Mirgaux, M, Wouters, J. | 登録日 | 2020-08-24 | 公開日 | 2020-12-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.43796444 Å) | 主引用文献 | Influence of the presence of the heme cofactor on the JK-loop structure in indoleamine 2,3-dioxygenase 1. Acta Crystallogr D Struct Biol, 76, 2020
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6AZU
| Holo IDO1 crystal structure | 分子名称: | Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | 著者 | Lewis, H.A, Yan, C. | 登録日 | 2017-09-13 | 公開日 | 2018-03-21 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.822 Å) | 主引用文献 | Immune-modulating enzyme indoleamine 2,3-dioxygenase is effectively inhibited by targeting its apo-form. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6AZW
| IDO1/FXB-001116 crystal structure | 分子名称: | (2R)-N-(4-cyanophenyl)-2-[cis-4-(quinolin-4-yl)cyclohexyl]propanamide, Indoleamine 2,3-dioxygenase 1 | 著者 | Lewis, H.A, Lammens, A, Steinbacher, S. | 登録日 | 2017-09-13 | 公開日 | 2018-03-21 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.78 Å) | 主引用文献 | Immune-modulating enzyme indoleamine 2,3-dioxygenase is effectively inhibited by targeting its apo-form. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6CXU
| Structure of the S167H mutant of human indoleamine 2,3 dioxygenase in complex with tryptophan and cyanide | 分子名称: | CYANIDE ION, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Lewis-Ballester, A, Yeh, S.-R, Karkashon, S, Batabyal, D, Poulos, T.L. | 登録日 | 2018-04-04 | 公開日 | 2018-06-27 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | 主引用文献 | Inhibition Mechanisms of Human Indoleamine 2,3 Dioxygenase 1. J. Am. Chem. Soc., 140, 2018
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6AZV
| IDO1/BMS-978587 crystal structure | 分子名称: | (1R,2S)-2-(4-[bis(2-methylpropyl)amino]-3-{[(4-methylphenyl)carbamoyl]amino}phenyl)cyclopropane-1-carboxylic acid, Indoleamine 2,3-dioxygenase 1 | 著者 | Lewis, H.A. | 登録日 | 2017-09-13 | 公開日 | 2018-03-21 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.755 Å) | 主引用文献 | Immune-modulating enzyme indoleamine 2,3-dioxygenase is effectively inhibited by targeting its apo-form. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5WHR
| Discovery of a novel and selective IDO-1 inhibitor PF-06840003 and its characterization as a potential clinical candidate. | 分子名称: | (3R)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Greasley, S.E, Kaiser, S.E, Feng, J.L, Stewart, A. | 登録日 | 2017-07-18 | 公開日 | 2017-12-27 | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | 主引用文献 | Discovery of a Novel and Selective Indoleamine 2,3-Dioxygenase (IDO-1) Inhibitor 3-(5-Fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione (EOS200271/PF-06840003) and Its Characterization as a Potential Clinical Candidate. J. Med. Chem., 60, 2017
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5WMV
| Structural Insights into Substrate and Inhibitor Binding Sites in Human Indoleamine 2,3-Dioxygenase 1 | 分子名称: | 2-(1H-indol-3-yl)ethanol, CYANIDE ION, Indoleamine 2,3-dioxygenase 1, ... | 著者 | Lewis-Ballester, A, Yeh, S.R, Pham, K.N, Batabyal, D, Karkashon, S, Bonanno, J.B, Poulos, T.L. | 登録日 | 2017-07-31 | 公開日 | 2017-12-06 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structural insights into substrate and inhibitor binding sites in human indoleamine 2,3-dioxygenase 1. Nat Commun, 8, 2017
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