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
|
|
8I7L
 | | Crystal structure of indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with a novel inhibitor | | 分子名称: | 1-[3-[(4-chloranyl-2-fluoranyl-phenyl)carbamoylamino]-4-[cyclohexyl(2-methylpropyl)amino]phenyl]pyrrole-2-carboxylic acid, Indoleamine 2,3-dioxygenase 1, THIOSULFATE | | 著者 | Li, K, Liu, W, Dong, X. | | 登録日 | 2023-02-01 | | 公開日 | 2023-02-15 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Apo-Form Selective Inhibition of IDO for Tumor Immunotherapy.
J Immunol., 209, 2022
|
|
8FUR
 | | Crystal structure of human IDO1 with compound 11 | | 分子名称: | Indoleamine 2,3-dioxygenase 1, N-(4-methylphenyl)-N'-[(1P,2'P)-4-propoxy-5-propyl-2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-yl]urea | | 著者 | Critton, D.A, Lewis, H.A. | | 登録日 | 2023-01-18 | | 公開日 | 2023-04-26 | | 最終更新日 | 2023-05-03 | | 実験手法 | X-RAY DIFFRACTION (2.285 Å) | | 主引用文献 | Synthesis and biological evaluation of biaryl alkyl ethers as inhibitors of IDO1.
Bioorg.Med.Chem.Lett., 88, 2023
|
|
5XE1
 | | Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with INCB14943 | | 分子名称: | 4-Amino-N-(3-chloro-4-fluorophenyl)-N'-hydroxy-1,2,5-oxadiazole-3-carboxamidine, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Xu, J, Wu, U, Liu, J. | | 登録日 | 2017-03-31 | | 公開日 | 2017-05-03 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Structural insights into the binding mechanism of IDO1 with hydroxylamidine based inhibitor INCB14943
Biochem. Biophys. Res. Commun., 487, 2017
|
|
6F0A
 | | Crystal structure of human indoleamine 2,3-dioxygenase bound to a triazole inhibitor and alanine molecule. | | 分子名称: | ALANINE, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Swan, M.K, Latchem, M. | | 登録日 | 2017-11-17 | | 公開日 | 2017-12-27 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | | 主引用文献 | New 4-Amino-1,2,3-Triazole Inhibitors of Indoleamine 2,3-Dioxygenase Form a Long-Lived Complex with the Enzyme and Display Exquisite Cellular Potency.
Chembiochem, 19, 2018
|
|
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
|
|
6UBP
 | | Crystal structure of a photochemical intermediate of human indoleamine 2,3-dioxygenase 1 in complex with carbon monoxide and tryptophan | | 分子名称: | CARBON MONOXIDE, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Pham, K.N, Yeh, S.R. | | 登録日 | 2019-09-12 | | 公開日 | 2021-02-03 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | Conformational Plasticity in Human Heme-Based Dioxygenases.
J.Am.Chem.Soc., 143, 2021
|
|
6X5Y
 | | IDO1 in complex with compound 4 | | 分子名称: | 4-fluoro-N-{1-[5-(2-methylpyrimidin-4-yl)-5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl]cyclopropyl}benzamide, Indoleamine 2,3-dioxygenase 1 | | 著者 | Lesburg, C.A, Lammens, A. | | 登録日 | 2020-05-27 | | 公開日 | 2021-06-02 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Utilization of MetID and Structural Data to Guide Placement of Spiro and Fused Cyclopropyl Groups for the Synthesis of Low Dose IDO1 Inhibitors
To Be Published
|
|
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
|
|
7YXT
 | |
7Z2L
 | |
8ABX
 | | Crystal structure of IDO1 in complex with Apoxidole-1 | | 分子名称: | Indoleamine 2,3-dioxygenase 1, O1-tert-butyl O2-ethyl O5-methyl (E,5R)-5-(1-methylindol-2-yl)-5-[(4-methylphenyl)sulfonylamino]pent-2-ene-1,2,5-tricarboxylate, O2-tert-butyl O3-ethyl O6-methyl (2S,6R)-6-(1-methylindol-2-yl)-2,5-dihydro-1H-pyridine-2,3,6-tricarboxylate, ... | | 著者 | Dotsch, L, Ziegler, S, Waldmann, H, Gasper, R. | | 登録日 | 2022-07-05 | | 公開日 | 2022-08-24 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Identification of a Novel Pseudo-Natural Product Type IV IDO1 Inhibitor Chemotype.
Angew.Chem.Int.Ed.Engl., 61, 2022
|
|
4PK6
 | | Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with imidazothiazole derivative | | 分子名称: | Indoleamine 2,3-dioxygenase 1, N-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Kohno, T, Tojo, S, Ishii, T, Kamioka, S. | | 登録日 | 2014-05-13 | | 公開日 | 2014-09-03 | | 最終更新日 | 2017-10-04 | | 実験手法 | X-RAY DIFFRACTION (3.45 Å) | | 主引用文献 | Crystal Structures and Structure-Activity Relationships of Imidazothiazole Derivatives as IDO1 Inhibitors.
Acs Med.Chem.Lett., 5, 2014
|
|
4U72
 | | Crystal structure of 4-phenylimidazole bound form of human indoleamine 2,3-dioxygenase (A260G mutant) | | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 4-PHENYL-1H-IMIDAZOLE, Indoleamine 2,3-dioxygenase 1, ... | | 著者 | Sugimoto, H, Horitani, M, Kometani, E, Shiro, Y. | | 登録日 | 2014-07-30 | | 公開日 | 2015-09-02 | | 最終更新日 | 2020-01-29 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Conformation and Mobility of Active Site Loop is Critical for Substrate Binding and Inhibition in Human Indoleamine 2,3-Dioxygenase
to be published
|
|
4PK5
 | | Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with Amg-1 | | 分子名称: | Indoleamine 2,3-dioxygenase 1, N-(1,3-benzodioxol-5-yl)-2-{[5-(4-methylphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl}acetamide, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Kohno, T, Tojo, S, Ishii, T. | | 登録日 | 2014-05-13 | | 公開日 | 2014-09-03 | | 最終更新日 | 2020-01-29 | | 実験手法 | X-RAY DIFFRACTION (2.79 Å) | | 主引用文献 | Crystal Structures and Structure-Activity Relationships of Imidazothiazole Derivatives as IDO1 Inhibitors.
Acs Med.Chem.Lett., 5, 2014
|
|
6O3I
 | | Crystal Structure of Human IDO1 bound to navoximod (NLG-919) | | 分子名称: | Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, trans-4-{(1R)-2-[(5S)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-hydroxyethyl}cyclohexan-1-ol | | 著者 | Harris, S.F, Oh, A. | | 登録日 | 2019-02-26 | | 公開日 | 2019-07-17 | | 最終更新日 | 2019-08-07 | | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | | 主引用文献 | Discovery of Clinical Candidate (1R,4r)-4-((R)-2-((S)-6-Fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl)cyclohexan-1-ol (Navoximod), a Potent and Selective Inhibitor of Indoleamine 2,3-Dioxygenase 1.
J.Med.Chem., 62, 2019
|
|
6MQ6
 | | Mapping the binding trajectory of a suicide inhibitor in human indoleamine 2,3-dioxygenase 1 | | 分子名称: | (2R)-N-(4-chlorophenyl)-2-[cis-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide, GLYCEROL, Indoleamine 2,3-dioxygenase 1, ... | | 著者 | Pham, K.N, Yeh, S.R. | | 登録日 | 2018-10-09 | | 公開日 | 2018-11-07 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | | 主引用文献 | Mapping the Binding Trajectory of a Suicide Inhibitor in Human Indoleamine 2,3-Dioxygenase 1.
J. Am. Chem. Soc., 140, 2018
|
|
4U74
 | | Crystal structure of 4-phenylimidazole bound form of human indoleamine 2,3-dioxygenase (G262A mutant) | | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 4-PHENYL-1H-IMIDAZOLE, Indoleamine 2,3-dioxygenase 1, ... | | 著者 | Sugimoto, H, Horitani, M, Kometani, E, Shiro, Y. | | 登録日 | 2014-07-30 | | 公開日 | 2015-09-02 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | | 主引用文献 | Conformation and Mobility of Active Site Loop is Critical for Substrate Binding and Inhibition in Human Indoleamine 2,3-Dioxygenase
to be published
|
|
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
|
|
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
|
|
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
|
|
2D0T
 | | Crystal structure of 4-phenylimidazole bound form of human indoleamine 2,3-dioxygenase | | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 4-PHENYL-1H-IMIDAZOLE, Indoleamine 2,3-dioxygenase, ... | | 著者 | Sugimoto, H, Oda, S, Otsuki, T, Hino, T, Yoshida, T, Shiro, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | 登録日 | 2005-08-08 | | 公開日 | 2006-01-31 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal structure of human indoleamine 2,3-dioxygenase: catalytic mechanism of O2 incorporation by a heme-containing dioxygenase.
Proc.Natl.Acad.Sci.Usa, 103, 2006
|
|
6KOF
 | | Crystal structure of indoleamine 2,3-dioxygenagse 1 (IDO1) in complex with compound 47 | | 分子名称: | 1-(4-cyanophenyl)-3-[[3-(2-cyclopropylethynyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]thiourea, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Peng, Y.H, Wu, S.Y. | | 登録日 | 2019-08-09 | | 公開日 | 2020-03-25 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.263 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
|
|
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
|
|
2D0U
 | | Crystal structure of cyanide bound form of human indoleamine 2,3-dioxygenase | | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CYANIDE ION, Indoleamine 2,3-dioxygenase, ... | | 著者 | Sugimoto, H, Oda, S, Otsuki, T, Hino, T, Yoshida, T, Shiro, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | 登録日 | 2005-08-08 | | 公開日 | 2006-01-31 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | | 主引用文献 | Crystal structure of human indoleamine 2,3-dioxygenase: catalytic mechanism of O2 incorporation by a heme-containing dioxygenase.
Proc.Natl.Acad.Sci.Usa, 103, 2006
|
|
