6PYZ
 
 | | Crystal Structure of human Tryptophan 2,3-dioxygenase in complex with PF-06840003 in Active Site | | Descriptor: | (3S)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione, PROTOPORPHYRIN IX CONTAINING FE, Tryptophan 2,3-dioxygenase, ... | | Authors: | Pham, K.N, Lewis-Ballester, A, Yeh, S.R. | | Deposit date: | 2019-07-31 | | Release date: | 2020-01-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | 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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6UD5
 | | Crystal structure of human tryptophan 2,3-dioxygenase in complex with carbon monoxide and tryptophan | | Descriptor: | CARBON MONOXIDE, PROTOPORPHYRIN IX CONTAINING FE, TRYPTOPHAN, ... | | Authors: | Pham, K.N, Lewis-Ballester, A, Yeh, S.R. | | Deposit date: | 2019-09-18 | | Release date: | 2021-02-03 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Conformational Plasticity in Human Heme-Based Dioxygenases.
J.Am.Chem.Soc., 143, 2021
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7LU7
 | | Human TDO (hTDO) in complex with NLG919 analog | | Descriptor: | (1~{R})-1-cyclohexyl-2-[(5~{S})-5~{H}-imidazo[1,5-b]isoindol-5-yl]ethanol, PROTOPORPHYRIN IX CONTAINING FE, Tryptophan 2,3-dioxygenase, ... | | Authors: | Yeh, S.-R. | | Deposit date: | 2021-02-21 | | Release date: | 2022-08-24 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Human TDO (hTDO) in complex with NLG919 analog
To Be Published
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6PYY
 | | Crystal Structure of human Tryptophan 2,3-dioxygenase in complex with PF-06840003 in Active Site and Exo site | | Descriptor: | (3S)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione, PROTOPORPHYRIN IX CONTAINING FE, Tryptophan 2,3-dioxygenase | | Authors: | Pham, K.N, Lewis-Ballester, A, Yeh, S.R. | | Deposit date: | 2019-07-31 | | Release date: | 2020-01-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | 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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5TIA
 | | Crystal structure of human TDO in complex with Trp, Northeast Structural Genomics Consortium Target HR6161 | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, TRYPTOPHAN, Tryptophan 2,3-dioxygenase | | Authors: | Forouhar, F, Lewis-Ballester, A, Lew, S, Karkashon, S, Seetharaman, J, Yeh, S.R, Tong, L. | | Deposit date: | 2016-10-01 | | Release date: | 2016-10-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.441 Å) | | Cite: | Molecular basis for catalysis and substrate-mediated cellular stabilization of human tryptophan 2,3-dioxygenase.
Sci Rep, 6, 2016
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5TI9
 | | Crystal structure of human TDO in complex with Trp and dioxygen, Northeast Structural Genomics Consortium Target HR6161 | | Descriptor: | N'-Formylkynurenine, OXYGEN MOLECULE, PHOSPHATE ION, ... | | Authors: | Forouhar, F, Lewis-Ballester, A, Lew, S, Karkashon, S, Seetharaman, J, Yeh, S.R, Tong, L. | | Deposit date: | 2016-10-01 | | Release date: | 2016-10-26 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Molecular basis for catalysis and substrate-mediated cellular stabilization of human tryptophan 2,3-dioxygenase.
Sci Rep, 6, 2016
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9EZJ
 | | Apo human TDO in complex with a bound inhibitor (Cpd-4) | | Descriptor: | Tryptophan 2,3-dioxygenase, alpha-methyl-L-tryptophan, ethyl (9~{R})-2-methoxy-4-oxidanylidene-9-[[(1~{S})-1-phenylethyl]-[(2-propan-2-ylphenyl)carbamoyl]amino]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylate | | Authors: | Wicki, M, Mac Sweeney, A. | | Deposit date: | 2024-04-12 | | Release date: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.612 Å) | | Cite: | Discovery and binding mode of small molecule inhibitors of the apo form of human TDO2
To Be Published
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8R5Q
 | | Structure of apo TDO with a bound inhibitor | | Descriptor: | 3-chloranyl-~{N}-[(1~{S})-1-(6-chloranylpyridin-3-yl)-2-phenyl-ethyl]aniline, Tryptophan 2,3-dioxygenase, alpha-methyl-L-tryptophan | | Authors: | Wicki, M, Mac Sweeney, A. | | Deposit date: | 2023-11-17 | | Release date: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Discovery and binding mode of a small molecule inhibitor of the apo form of human TDO2
Biorxiv, 2024
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6A4I
 | | Crystal Structure of human TDO inhibitor complex | | Descriptor: | 1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol, CITRIC ACID, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Fu, G, Wang, J, Luo, G, Wu, G, Qian, K. | | Deposit date: | 2018-06-20 | | Release date: | 2018-07-18 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Crystal Structure of human TDO inhibitor complex
To Be Published
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8QV7
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4PW8
 | | Human tryptophan 2,3-dioxygenase | | Descriptor: | COBALT (II) ION, Tryptophan 2,3-dioxygenase | | Authors: | Meng, B, Wu, D, Gu, J.H, Ouyang, S.Y, Ding, W, Liu, Z.J. | | Deposit date: | 2014-03-19 | | Release date: | 2014-08-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.902 Å) | | Cite: | Structural and functional analyses of human tryptophan 2,3-dioxygenase
Proteins, 82, 2014
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8R5R
 | | Structure of apo TDO with a bound inhibitor | | Descriptor: | 3-chloranyl-~{N}-[(1~{S})-1-(6-chloranylpyridin-3-yl)-2-phenyl-ethyl]aniline, Tryptophan 2,3-dioxygenase, alpha-methyl-L-tryptophan | | Authors: | Wicki, M, Mac Sweeney, A. | | Deposit date: | 2023-11-17 | | Release date: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.078 Å) | | Cite: | Discovery and binding mode of a small molecule inhibitor of the apo form of human TDO2
Biorxiv, 2024
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7UI3
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6VBN
 | | Crystal Structure of hTDO2 bound to inhibitor GNE1 | | Descriptor: | 1,5-anhydro-2,3-dideoxy-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-D-threo-pentitol, PROTOPORPHYRIN IX CONTAINING FE, Tryptophan 2,3-dioxygenase | | Authors: | Harris, S.F, Oh, A. | | Deposit date: | 2019-12-19 | | Release date: | 2020-05-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.18 Å) | | Cite: | Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors.
Acs Med.Chem.Lett., 11, 2020
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