2D0T
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CRYSTAL STRUCTURE OF 4-PHENYLIMIDAZOLE BOUND FORM OF HUMAN INDOLEAMINE 2,3-DIOXYGENASE
Descriptor:Indoleamine 2,3-dioxygenase, PROTOPORPHYRIN IX CONTAINING FE, 4-PHENYL-1H-IMIDAZOLE, ...
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
2D0U
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CRYSTAL STRUCTURE OF CYANIDE BOUND FORM OF HUMAN INDOLEAMINE 2,3-DIOXYGENASE
Descriptor:Indoleamine 2,3-dioxygenase, CYANIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
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:2017-10-11
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
4PK5
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CRYSTAL STRUCTURE OF THE INDOLEAMINE 2,3-DIOXYGENAGSE 1 (IDO1) COMPLEXED WITH AMG-1
Descriptor:Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, N-(1,3-benzodioxol-5-yl)-2-{[5-(4-methylphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl}acetamide
Authors:Kohno, T., Tojo, S., Ishii, T.
Deposit date:2014-05-13
Release date:2014-09-03
Last modified:2014-10-29
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
4PK6
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CRYSTAL STRUCTURE OF THE INDOLEAMINE 2,3-DIOXYGENAGSE 1 (IDO1) COMPLEXED WITH IMIDAZOTHIAZOLE DERIVATIVE
Descriptor:Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, N-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide
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
4U72
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CRYSTAL STRUCTURE OF 4-PHENYLIMIDAZOLE BOUND FORM OF HUMAN INDOLEAMINE 2,3-DIOXYGENASE (A260G MUTANT)
Descriptor:Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, 4-PHENYL-1H-IMIDAZOLE, ...
Authors:Sugimoto, H., Horitani, M., Kometani, E., Shiro, Y.
Deposit date:2014-07-30
Release date:2015-09-02
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
4U74
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CRYSTAL STRUCTURE OF 4-PHENYLIMIDAZOLE BOUND FORM OF HUMAN INDOLEAMINE 2,3-DIOXYGENASE (G262A MUTANT)
Descriptor:Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, 4-PHENYL-1H-IMIDAZOLE, ...
Authors:Sugimoto, H., Horitani, M., Kometani, E., Shiro, Y.
Deposit date:2014-07-30
Release date:2015-09-02
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
5EK2
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CRYSTAL STRUCTURE OF THE INDOLEAMINE 2,3-DIOXYGENAGSE 1 (IDO1) COMPLEXED WITH NLG919 ANALOGUE
Descriptor:Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, 1-cyclohexyl-2-[(5~{S})-6-fluoranyl-5~{H}-imidazo[1,5-b]isoindol-5-yl]ethanone
Authors:Peng, Y.H., Wu, J.S., Wu, S.Y.
Deposit date:2015-11-03
Release date:2015-12-23
Last modified:2016-01-27
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
5EK3
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CRYSTAL STRUCTURE OF THE INDOLEAMINE 2,3-DIOXYGENAGSE 1 (IDO1) COMPLEXED WITH NLG919 ANALOGUE
Descriptor:Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, (1~{R})-1-cyclohexyl-2-[(5~{S})-5~{H}-imidazo[1,5-b]isoindol-5-yl]ethanol
Authors:Peng, Y.H., Wu, J.S., Wu, S.Y.
Deposit date:2015-11-03
Release date:2015-12-23
Last modified:2016-01-27
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
5EK4
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CRYSTAL STRUCTURE OF THE INDOLEAMINE 2,3-DIOXYGENAGSE 1 (IDO1) COMPLEXED WITH NLG919 ANALOGUE
Descriptor:Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, (1~{R})-1-cyclohexyl-2-[(5~{S})-6-fluoranyl-5~{H}-imidazo[1,5-b]isoindol-5-yl]ethanol
Authors:Wu, S.Y., Peng, Y.H., Wu, J.S.
Deposit date:2015-11-03
Release date:2015-12-23
Last modified:2016-01-27
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
5ETW
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CRYSTAL STRUCTURE OF THE INDOLEAMINE 2,3-DIOXYGENAGSE 1 (IDO1) COMPLEXED WITH NLG919 ANALOGUE
Descriptor:Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, (1~{R})-1-cyclohexyl-2-pyrido[3,4-b]indol-9-yl-ethanol
Authors:Wu, S.Y., Peng, Y.H., Wu, J.S.
Deposit date:2015-11-18
Release date:2016-02-10
Last modified:2017-09-06
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
5WMU
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STRUCTURAL INSIGHTS INTO SUBSTRATE AND INHIBITOR BINDING SITES IN HUMAN INDOLEAMINE 2,3-DIOXYGENASE I
Descriptor:Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, CYANIDE ION, ...
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
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
5WMV
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STRUCTURAL INSIGHTS INTO SUBSTRATE AND INHIBITOR BINDING SITES IN HUMAN INDOLEAMINE 2,3-DIOXYGENASE 1
Descriptor:Indoleamine 2,3-dioxygenase 1, CYANIDE ION, 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
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
5WMW
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STRUCTURAL INSIGHTS INTO SUBSTRATE AND INHIBITOR BINDING SITES IN HUMAN INDOLEAMINE 2,3-DIOXYGENASE 1
Descriptor:Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, CYANIDE ION, ...
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
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
5WMX
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STRUCTURAL INSIGHTS INTO SUBSTRATE AND INHIBITOR BINDING SITES IN HUMAN INDOLEAMINE 2,3-DIOXYGENASE 1
Descriptor:Indoleamine 2,3-dioxygenase 1, CYANIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
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
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
5XE1
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CRYSTAL STRUCTURE OF THE INDOLEAMINE 2,3-DIOXYGENAGSE 1 (IDO1) COMPLEXED WITH INCB14943
Descriptor:Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, 4-Amino-N-(3-chloro-4-fluorophenyl)-N'-hydroxy-1,2,5-oxadiazole-3-carboxamidine
Authors:Xu, J., Wu, U., Liu, J.
Deposit date:2017-03-31
Release date:2017-05-03
Last modified:2017-08-30
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
6AZU
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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:2018-04-11
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
6AZV
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IDO1/BMS-978587 CRYSTAL STRUCTURE
Descriptor:Indoleamine 2,3-dioxygenase 1, (1R,2S)-2-(4-[bis(2-methylpropyl)amino]-3-{[(4-methylphenyl)carbamoyl]amino}phenyl)cyclopropane-1-carboxylic acid
Authors:Lewis, H.A.
Deposit date:2017-09-13
Release date:2018-03-21
Last modified:2018-04-11
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
6AZW
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IDO1/FXB-001116 CRYSTAL STRUCTURE
Descriptor:Indoleamine 2,3-dioxygenase 1, (2R)-N-(4-cyanophenyl)-2-[cis-4-(quinolin-4-yl)cyclohexyl]propanamide
Authors:Lewis, H.A., Lammens, A., Steinbacher, S.
Deposit date:2017-09-13
Release date:2018-03-21
Last modified:2018-04-11
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
6CXU
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STRUCTURE OF THE S167H MUTANT OF HUMAN INDOLEAMINE 2,3 DIOXYGENASE IN COMPLEX WITH TRYPTOPHAN AND CYANIDE
Descriptor:Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, CYANIDE ION, ...
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:2018-07-25
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Inhibition Mechanisms of Human Indoleamine 2,3 Dioxygenase 1.
J. Am. Chem. Soc., 140, 2018
6CXV
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STRUCTURE OF THE S167H MUTANT OF HUMAN INDOLEAMINE 2,3 DIOXYGENASE IN COMPLEX WITH TRYPTOPHAN AND CYANIDE
Descriptor:Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, CYANIDE ION, ...
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:2018-07-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Inhibition Mechanisms of Human Indoleamine 2,3 Dioxygenase 1.
J. Am. Chem. Soc., 140, 2018
6DPQ
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MAPPING THE BINDING TRAJECTORY OF A SUICIDE INHIBITOR IN HUMAN INDOLEAMINE 2,3-DIOXYGENASE 1
Descriptor:Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, GLYCEROL, ...
Authors:Pham, K.N., Yeh, S.R.
Deposit date:2018-06-09
Release date:2018-11-07
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., 2018
6E35
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CRYSTAL STRUCTURE OF HUMAN INDOLEAMIME 2,3-DIOXYGENASE (IDO1) IN COMPLEX WITH L-TRP AND CYANIDE, NORTHEAST STRUCTURAL GENOMICS TARGET HR6160
Descriptor:Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, CYANIDE ION, ...
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
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
6F0A
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CRYSTAL STRUCTURE OF HUMAN INDOLEAMINE 2,3-DIOXYGENASE BOUND TO A TRIAZOLE INHIBITOR AND ALANINE MOLECULE.
Descriptor:Indoleamine 2,3-dioxygenase 1, ~{N}-(4-chlorophenyl)-1~{H}-1,2,3-triazol-5-amine, ALANINE, ...
Authors:Swan, M.K., Latchem, M.
Deposit date:2017-11-17
Release date:2017-12-27
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.26 Å)
Cite: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
6MQ6
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MAPPING THE BINDING TRAJECTORY OF A SUICIDE INHIBITOR IN HUMAN INDOLEAMINE 2,3-DIOXYGENASE 1
Descriptor:Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, GLYCEROL, ...
Authors:Pham, K.N., Yeh, S.R.
Deposit date:2018-10-09
Release date:2018-11-07
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Mapping the Binding Trajectory of a Suicide Inhibitor in Human Indoleamine 2,3-Dioxygenase 1.
J. Am. Chem. Soc., 2018
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