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
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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
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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
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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
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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
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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
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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
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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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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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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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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
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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
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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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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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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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6PZ1
 | | 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
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6WPE
 | | 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
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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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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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6PU7
 | | 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
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7P0R
 | | 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
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7P0N
 | | 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
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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
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6R63
 | | 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
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7YXT
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