2D0T
| Crystal structure of 4-phenylimidazole bound form of human indoleamine 2,3-dioxygenase | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 4-PHENYL-1H-IMIDAZOLE, Indoleamine 2,3-dioxygenase, ... | Authors: | Sugimoto, H, Oda, S, Otsuki, T, Hino, T, Yoshida, T, Shiro, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2005-08-08 | Release date: | 2006-01-31 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 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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2D0U
| Crystal structure of cyanide bound form of human indoleamine 2,3-dioxygenase | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CYANIDE ION, Indoleamine 2,3-dioxygenase, ... | Authors: | Sugimoto, H, Oda, S, Otsuki, T, Hino, T, Yoshida, T, Shiro, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2005-08-08 | Release date: | 2006-01-31 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | 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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4PK5
| Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with Amg-1 | Descriptor: | 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 | Authors: | Kohno, T, Tojo, S, Ishii, T. | Deposit date: | 2014-05-13 | Release date: | 2014-09-03 | Last modified: | 2020-01-29 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | 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 | Descriptor: | 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 | Authors: | Kohno, T, Tojo, S, Ishii, T, Kamioka, S. | Deposit date: | 2014-05-13 | Release date: | 2014-09-03 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (3.45 Å) | Cite: | Crystal Structures and Structure-Activity Relationships of Imidazothiazole Derivatives as IDO1 Inhibitors. Acs Med.Chem.Lett., 5, 2014
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4U72
| Crystal structure of 4-phenylimidazole bound form of human indoleamine 2,3-dioxygenase (A260G mutant) | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 4-PHENYL-1H-IMIDAZOLE, Indoleamine 2,3-dioxygenase 1, ... | Authors: | Sugimoto, H, Horitani, M, Kometani, E, Shiro, Y. | Deposit date: | 2014-07-30 | Release date: | 2015-09-02 | Last modified: | 2020-01-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 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) | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 4-PHENYL-1H-IMIDAZOLE, Indoleamine 2,3-dioxygenase 1, ... | Authors: | Sugimoto, H, Horitani, M, Kometani, E, Shiro, Y. | Deposit date: | 2014-07-30 | Release date: | 2015-09-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | 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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5EK2
| Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with NLG919 analogue | Descriptor: | 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 | Authors: | Peng, Y.H, Wu, J.S, Wu, S.Y. | Deposit date: | 2015-11-03 | Release date: | 2015-12-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | 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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5EK3
| Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with NLG919 analogue | Descriptor: | (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 | Authors: | Peng, Y.H, Wu, J.S, Wu, S.Y. | Deposit date: | 2015-11-03 | Release date: | 2015-12-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.209 Å) | Cite: | 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 | Descriptor: | (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 | Authors: | Wu, S.Y, Peng, Y.H, Wu, J.S. | Deposit date: | 2015-11-03 | Release date: | 2015-12-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | 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 | Descriptor: | (1~{R})-1-cyclohexyl-2-pyrido[3,4-b]indol-9-yl-ethanol, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Wu, S.Y, Peng, Y.H, Wu, J.S. | Deposit date: | 2015-11-18 | Release date: | 2016-02-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | 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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5WHR
| Discovery of a novel and selective IDO-1 inhibitor PF-06840003 and its characterization as a potential clinical candidate. | Descriptor: | (3R)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Greasley, S.E, Kaiser, S.E, Feng, J.L, Stewart, A. | Deposit date: | 2017-07-18 | Release date: | 2017-12-27 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | 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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5WMU
| Structural Insights into Substrate and Inhibitor Binding Sites in Human Indoleamine 2,3-Dioxygenase I | Descriptor: | CYANIDE ION, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Lewis-Ballester, A, Yeh, S.R, Pham, K.N, Batabyal, D, Karkashon, S, Bonanno, J.B, Poulos, T.L. | Deposit date: | 2017-07-31 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural insights into substrate and inhibitor binding sites in human indoleamine 2,3-dioxygenase 1. Nat Commun, 8, 2017
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5WMV
| Structural Insights into Substrate and Inhibitor Binding Sites in Human Indoleamine 2,3-Dioxygenase 1 | Descriptor: | 2-(1H-indol-3-yl)ethanol, CYANIDE ION, Indoleamine 2,3-dioxygenase 1, ... | Authors: | Lewis-Ballester, A, Yeh, S.R, Pham, K.N, Batabyal, D, Karkashon, S, Bonanno, J.B, Poulos, T.L. | Deposit date: | 2017-07-31 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural insights into substrate and inhibitor binding sites in human indoleamine 2,3-dioxygenase 1. Nat Commun, 8, 2017
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5WMW
| Structural Insights into Substrate and Inhibitor Binding Sites in Human Indoleamine 2,3-Dioxygenase 1 | Descriptor: | CYANIDE ION, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Lewis-Ballester, A, Yeh, S.R, Pham, K.N, Batabyal, D, Karkashon, S, Bonanno, J.B, Poulos, T.L. | Deposit date: | 2017-07-31 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.03 Å) | Cite: | Structural insights into substrate and inhibitor binding sites in human indoleamine 2,3-dioxygenase 1. Nat Commun, 8, 2017
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5WMX
| Structural Insights into Substrate and Inhibitor Binding Sites in Human Indoleamine 2,3-Dioxygenase 1 | Descriptor: | 2-(1H-indol-3-yl)ethanol, CYANIDE ION, Indoleamine 2,3-dioxygenase 1, ... | Authors: | Lewis-Ballester, A, Yeh, S.R, Pham, K.N, Batabyal, D, Karkashon, S, Bonanno, J.B, Poulos, T.M. | Deposit date: | 2017-07-31 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Structural insights into substrate and inhibitor binding sites in human indoleamine 2,3-dioxygenase 1. Nat Commun, 8, 2017
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5WN8
| Structural Insights into Substrate and Inhibitor Binding Sites in Human Indoleamine 2,3-Dioxygenase 1 | Descriptor: | Indoleamine 2,3-dioxygenase 1, N-(3-bromo-4-fluorophenyl)-N'-hydroxy-4-{[2-(sulfamoylamino)ethyl]amino}-1,2,5-oxadiazole-3-carboximidamide, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Lewis-Ballester, A, Pham, K.N, Batabyal, D, Karkashon, S, Bonanno, J.B, Poulos, T.L, Yeh, S.R. | Deposit date: | 2017-07-31 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural insights into substrate and inhibitor binding sites in human indoleamine 2,3-dioxygenase 1. Nat Commun, 8, 2017
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5XE1
| Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with INCB14943 | Descriptor: | 4-Amino-N-(3-chloro-4-fluorophenyl)-N'-hydroxy-1,2,5-oxadiazole-3-carboxamidine, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Xu, J, Wu, U, Liu, J. | Deposit date: | 2017-03-31 | Release date: | 2017-05-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural insights into the binding mechanism of IDO1 with hydroxylamidine based inhibitor INCB14943 Biochem. Biophys. Res. Commun., 487, 2017
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6AZU
| Holo IDO1 crystal structure | Descriptor: | Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | Authors: | Lewis, H.A, Yan, C. | Deposit date: | 2017-09-13 | Release date: | 2018-03-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.822 Å) | Cite: | 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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6AZV
| IDO1/BMS-978587 crystal structure | Descriptor: | (1R,2S)-2-(4-[bis(2-methylpropyl)amino]-3-{[(4-methylphenyl)carbamoyl]amino}phenyl)cyclopropane-1-carboxylic acid, Indoleamine 2,3-dioxygenase 1 | Authors: | Lewis, H.A. | Deposit date: | 2017-09-13 | Release date: | 2018-03-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.755 Å) | Cite: | 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 | Descriptor: | (2R)-N-(4-cyanophenyl)-2-[cis-4-(quinolin-4-yl)cyclohexyl]propanamide, Indoleamine 2,3-dioxygenase 1 | Authors: | Lewis, H.A, Lammens, A, Steinbacher, S. | Deposit date: | 2017-09-13 | Release date: | 2018-03-21 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | 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 | Descriptor: | CYANIDE ION, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Lewis-Ballester, A, Yeh, S.-R, Karkashon, S, Batabyal, D, Poulos, T.L. | Deposit date: | 2018-04-04 | Release date: | 2018-06-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Inhibition Mechanisms of Human Indoleamine 2,3 Dioxygenase 1. J. Am. Chem. Soc., 140, 2018
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6CXV
| Structure of the S167H mutant of human indoleamine 2,3 dioxygenase in complex with tryptophan and cyanide | Descriptor: | 2-(1H-indol-3-yl)ethanol, CYANIDE ION, Indoleamine 2,3-dioxygenase 1, ... | Authors: | Lewis-Ballester, A, Yeh, S.-R, Karkashon, S, Batabyal, D, Poulos, T.L. | Deposit date: | 2018-04-04 | Release date: | 2018-06-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Inhibition Mechanisms of Human Indoleamine 2,3 Dioxygenase 1. J. Am. Chem. Soc., 140, 2018
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6DPQ
| Mapping the binding trajectory of a suicide inhibitor in human indoleamine 2,3-dioxygenase 1 | Descriptor: | (2R)-N-(4-chlorophenyl)-2-[cis-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide, GLYCEROL, Indoleamine 2,3-dioxygenase 1, ... | Authors: | Pham, K.N, Yeh, S.R. | Deposit date: | 2018-06-09 | Release date: | 2018-11-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Mapping the Binding Trajectory of a Suicide Inhibitor in Human Indoleamine 2,3-Dioxygenase 1. J. Am. Chem. Soc., 140, 2018
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6DPR
| Mapping the binding trajectory of a suicide inhibitor in human indoleamine 2,3-dioxygenase 1 | Descriptor: | (2R)-N-(4-chlorophenyl)-2-[cis-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide, 1,2-ETHANEDIOL, Indoleamine 2,3-dioxygenase 1, ... | Authors: | Pham, K.N, Yeh, S.R. | Deposit date: | 2018-06-09 | Release date: | 2018-11-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Mapping the Binding Trajectory of a Suicide Inhibitor in Human Indoleamine 2,3-Dioxygenase 1. J. Am. Chem. Soc., 140, 2018
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6E35
| Crystal structure of human indoleamime 2,3-dioxygenase (IDO1) in complex with L-Trp and cyanide, Northeast Structural Genomics Target HR6160 | Descriptor: | 2-(1H-indol-3-yl)ethanol, CYANIDE ION, Indoleamine 2,3-dioxygenase 1, ... | Authors: | Forouhar, F, Lewis-Ballester, A, Lew, S, Karkashon, S, Seetharaman, J, Lu, C, Hussain, M, Yeh, S.-R, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2018-07-13 | Release date: | 2018-07-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.411 Å) | Cite: | Crystal structure of human indoleamime 2,3-dioxygenase (IDO1) in complex with L-Trp and cyanide, Northeast Structural Genomics Target HR6160 To Be Published
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