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6F0A
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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
5XE1
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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
8FUR
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BU of 8fur by Molmil
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
8I7L
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BU of 8i7l by Molmil
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
7A62
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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
6MQ6
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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
7P0R
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Crystal structure of L-Trp/Indoleamine 2,3-dioxygenase (hIDO1) complex with the JK-loop refined in the intermediate conformation
分子名称: GLYCEROL, Indoleamine 2,3-dioxygenase 1, N'-Formylkynurenine, ...
著者Mirgaux, M, Wouters, J.
登録日2021-06-30
公開日2021-12-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 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
7P0N
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Crystal structure of L-Trp/Indoleamine 2,3-dioxygenagse 1 (hIDO1) complex with the JK-loop refined in the open conformation
分子名称: CHLORIDE ION, GLYCEROL, Indoleamine 2,3-dioxygenase 1, ...
著者Mirgaux, M, Wouters, J.
登録日2021-06-30
公開日2021-12-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 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
6O3I
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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
6UBP
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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
4U72
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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
4U74
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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
6V52
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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
4PK5
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BU of 4pk5 by Molmil
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
4PK6
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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
2D0T
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BU of 2d0t by Molmil
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
2D0U
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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
7AH4
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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
7AH6
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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
7AH5
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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
6PZ1
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Crystal Structure of human Indoleamine 2,3-Dioxygenase 1 in complex with PF-06840003 in Active Site and Si site
分子名称: (3R)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione, GLYCEROL, Indoleamine 2,3-dioxygenase 1, ...
著者Pham, K.N, Lewis-Ballester, A, Yeh, S.R.
登録日2019-07-31
公開日2020-01-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structural Basis of Inhibitor Selectivity in Human Indoleamine 2,3-Dioxygenase 1 and Tryptophan Dioxygenase.
J.Am.Chem.Soc., 141, 2019
6PU7
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Human IDO1 in complex with compound 17 (N-{2-[(4-{N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5-trien-7-yl]-N'-hydroxycarbamimidoyl}-1,2,5-oxadiazol-3-yl)sulfanyl]ethyl}acetamide)
分子名称: Indoleamine 2,3-dioxygenase 1, N-{2-[(4-{N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5-trien-7-yl]-N'-hydroxycarbamimidoyl}-1,2,5-oxadiazol-3-yl)sulfanyl]ethyl}acetamide, PROTOPORPHYRIN IX CONTAINING FE
著者Lesburg, C.A.
登録日2019-07-17
公開日2019-12-04
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Discovery of Amino-cyclobutarene-derived Indoleamine-2,3-dioxygenase 1 (IDO1) Inhibitors for Cancer Immunotherapy.
Acs Med.Chem.Lett., 10, 2019
6WPE
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HUMAN IDO1 IN COMPLEX WITH COMPOUND 4
分子名称: 4-chloro-N-{[1-(3-chlorobenzene-1-carbonyl)-1,2,3,4-tetrahydroquinolin-6-yl]methyl}benzamide, Indoleamine 2,3-dioxygenase 1
著者Lesburg, C.A, Lammens, A.
登録日2020-04-27
公開日2021-03-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Carbamate and N -Pyrimidine Mitigate Amide Hydrolysis: Structure-Based Drug Design of Tetrahydroquinoline IDO1 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
6R63
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Crystal structure of indoleamine 2,3-dioxygenase 1 (IDO1) in complex with ferric heme and MMG-0358
分子名称: 4-chloranyl-2-(2~{H}-1,2,3-triazol-4-yl)phenol, 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2019-03-26
公開日2019-10-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.894 Å)
主引用文献Inhibition Mechanisms of Indoleamine 2,3-Dioxygenase 1 (IDO1).
J.Med.Chem., 62, 2019
7M7D
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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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