2DW3
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6J04
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7E0P
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![BU of 7e0p by Molmil](/molmil-images/mine/7e0p) | Crystal Structure of Human Indoleamine 2,3-dioxygenagse 1 (hIDO1) Complexed with 4-(((6-Bromo-1H-indazol-4-yl)amino)methyl)phenol (2) | Descriptor: | 4-[[(6-bromanyl-1~{H}-indazol-4-yl)amino]methyl]phenol, ACETIC ACID, Indoleamine 2,3-dioxygenase 1, ... | Authors: | Li, G.-B, Ning, X.-L. | Deposit date: | 2021-01-28 | Release date: | 2021-07-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.635 Å) | Cite: | X-ray Structure-Guided Discovery of a Potent, Orally Bioavailable, Dual Human Indoleamine/Tryptophan 2,3-Dioxygenase (hIDO/hTDO) Inhibitor That Shows Activity in a Mouse Model of Parkinson's Disease. J.Med.Chem., 64, 2021
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7E0T
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![BU of 7e0t by Molmil](/molmil-images/mine/7e0t) | Crystal Structure of Human Indoleamine 2,3-dioxygenagse 1 (hIDO1) Complexed with (1R,2S)-2-(((5-bromo-1H-indazol-4-yl)amino)methyl)Cyclohexan-1-ol (36) | Descriptor: | (1~{R},2~{S})-2-[[(5-bromanyl-1~{H}-indazol-4-yl)amino]methyl]cyclohexan-1-ol, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Li, G.-B, Ning, X.-L. | Deposit date: | 2021-01-28 | Release date: | 2021-07-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.137 Å) | Cite: | X-ray Structure-Guided Discovery of a Potent, Orally Bioavailable, Dual Human Indoleamine/Tryptophan 2,3-Dioxygenase (hIDO/hTDO) Inhibitor That Shows Activity in a Mouse Model of Parkinson's Disease. J.Med.Chem., 64, 2021
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7E0O
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![BU of 7e0o by Molmil](/molmil-images/mine/7e0o) | Crystal Structure of Human Indoleamine 2,3-dioxygenagse 1 (hIDO1) Complexed with 6-Bromo-1H-indazol-4-amine (1) | Descriptor: | 6-bromanyl-1~{H}-indazol-4-amine, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Li, G.-B, Ning, X.-L. | Deposit date: | 2021-01-28 | Release date: | 2021-07-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.337 Å) | Cite: | X-ray Structure-Guided Discovery of a Potent, Orally Bioavailable, Dual Human Indoleamine/Tryptophan 2,3-Dioxygenase (hIDO/hTDO) Inhibitor That Shows Activity in a Mouse Model of Parkinson's Disease. J.Med.Chem., 64, 2021
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7E0S
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![BU of 7e0s by Molmil](/molmil-images/mine/7e0s) | Crystal Structure of Human Indoleamine 2,3-dioxygenagse 1 (hIDO1) Complexed with (1R,2S)-2-(((6-Bromo-1H-indazol-4-yl)amino)methyl)cyclohexan-1-ol (23) | Descriptor: | (1~{R},2~{S})-2-[[(6-bromanyl-1~{H}-indazol-4-yl)amino]methyl]cyclohexan-1-ol, ACETIC ACID, Indoleamine 2,3-dioxygenase 1, ... | Authors: | Li, G.-B, Ning, X.-L. | Deposit date: | 2021-01-28 | Release date: | 2021-07-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.712 Å) | Cite: | X-ray Structure-Guided Discovery of a Potent, Orally Bioavailable, Dual Human Indoleamine/Tryptophan 2,3-Dioxygenase (hIDO/hTDO) Inhibitor That Shows Activity in a Mouse Model of Parkinson's Disease. J.Med.Chem., 64, 2021
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7E0U
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![BU of 7e0u by Molmil](/molmil-images/mine/7e0u) | Crystal Structure of Human Indoleamine 2,3-dioxygenagse 1 (hIDO1) Complexed with 6-Bromo-N-(((1S,2S)-2-chlorocyclohexyl)methyl)-1H-indazol-4-amine (39) | Descriptor: | 6-bromanyl-~{N}-[[(1~{S},2~{S})-2-chloranylcyclohexyl]methyl]-1~{H}-indazol-4-amine, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Li, G.-B, Ning, X.-L. | Deposit date: | 2021-01-28 | Release date: | 2021-07-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.278 Å) | Cite: | X-ray Structure-Guided Discovery of a Potent, Orally Bioavailable, Dual Human Indoleamine/Tryptophan 2,3-Dioxygenase (hIDO/hTDO) Inhibitor That Shows Activity in a Mouse Model of Parkinson's Disease. J.Med.Chem., 64, 2021
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7E0Q
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![BU of 7e0q by Molmil](/molmil-images/mine/7e0q) | Crystal Structure of Human Indoleamine 2,3-dioxygenagse 1 (hIDO1) Complexed with (1S,2R)-2-(((6-Bromo-1H-indazol-4-yl)amino)methyl)cyclohexan-1-ol (22) | Descriptor: | (1~{S},2~{R})-2-[[(6-bromanyl-1~{H}-indazol-4-yl)amino]methyl]cyclohexan-1-ol, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Li, G.-B, Ning, X.-L. | Deposit date: | 2021-01-28 | Release date: | 2021-07-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.462 Å) | Cite: | X-ray Structure-Guided Discovery of a Potent, Orally Bioavailable, Dual Human Indoleamine/Tryptophan 2,3-Dioxygenase (hIDO/hTDO) Inhibitor That Shows Activity in a Mouse Model of Parkinson's Disease. J.Med.Chem., 64, 2021
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8HW5
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3RGX
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![BU of 3rgx by Molmil](/molmil-images/mine/3rgx) | Structural insight into brassinosteroid perception by BRI1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Chai, J, Han, Z, She, J, Wang, J, Cheng, W, Wang, J. | Deposit date: | 2011-04-11 | Release date: | 2011-06-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Structural insight into brassinosteroid perception by BRI1. Nature, 474, 2011
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7DHY
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![BU of 7dhy by Molmil](/molmil-images/mine/7dhy) | Arsenic-bound p53 DNA-binding domain mutant G245S | Descriptor: | ARSENIC, Cellular tumor antigen p53, GLYCEROL, ... | Authors: | Chen, S, Lu, M. | Deposit date: | 2020-11-18 | Release date: | 2021-03-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Arsenic Trioxide Rescues Structural p53 Mutations through a Cryptic Allosteric Site. Cancer Cell, 39, 2021
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7DHZ
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![BU of 7dhz by Molmil](/molmil-images/mine/7dhz) | Arsenic-bound p53 DNA-binding domain mutant R249S | Descriptor: | ARSENIC, Cellular tumor antigen p53, GLYCEROL, ... | Authors: | Chen, S, Lu, M. | Deposit date: | 2020-11-18 | Release date: | 2021-03-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Arsenic Trioxide Rescues Structural p53 Mutations through a Cryptic Allosteric Site. Cancer Cell, 39, 2021
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3RGZ
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![BU of 3rgz by Molmil](/molmil-images/mine/3rgz) | Structural insight into brassinosteroid perception by BRI1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Chai, J, Han, Z, She, J, Wang, J, Cheng, W. | Deposit date: | 2011-04-11 | Release date: | 2011-06-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.281 Å) | Cite: | Structural insight into brassinosteroid perception by BRI1. Nature, 474, 2011
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7CUT
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![BU of 7cut by Molmil](/molmil-images/mine/7cut) | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with Z-VAD-FMK | Descriptor: | 3C protein, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Lu, M, Yang, H.T, Wang, Z.Y, Zhao, Y, Xing, Y.F. | Deposit date: | 2020-08-24 | Release date: | 2021-06-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Identification of proteasome and caspase inhibitors targeting SARS-CoV-2 M pro . Signal Transduct Target Ther, 6, 2021
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7CUU
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![BU of 7cuu by Molmil](/molmil-images/mine/7cuu) | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with MG132 | Descriptor: | 3C protein, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Lu, M, Yang, H.T, Wang, Z.Y, Zhao, Y, Xing, Y.F. | Deposit date: | 2020-08-24 | Release date: | 2021-06-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Identification of proteasome and caspase inhibitors targeting SARS-CoV-2 M pro . Signal Transduct Target Ther, 6, 2021
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6IR2
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![BU of 6ir2 by Molmil](/molmil-images/mine/6ir2) | Crystal structure of red fluorescent protein mCherry complexed with the nanobody LaM2 at 1.4 Angstron resolution | Descriptor: | MCherry fluorescent protein, mCherry's nanobody LaM2 | Authors: | Ding, Y, Wang, Z.Y, Hu, R.T, Chen, X. | Deposit date: | 2018-11-09 | Release date: | 2019-11-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.393 Å) | Cite: | Structural insights into the binding of nanobodies LaM2 and LaM4 to the red fluorescent protein mCherry. Protein Sci., 30, 2021
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6ITQ
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![BU of 6itq by Molmil](/molmil-images/mine/6itq) | Crystal structure of cortisol complexed with its nanobody at pH 10.5 | Descriptor: | (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione, SULFATE ION, anti-cortisol camelid antibody | Authors: | Ding, Y, Ding, L.L, Wang, Z.Y, Zhong, P.Y. | Deposit date: | 2018-11-24 | Release date: | 2019-07-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.526 Å) | Cite: | Structural insights into the mechanism of single domain VHH antibody binding to cortisol. Febs Lett., 593, 2019
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6IR1
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![BU of 6ir1 by Molmil](/molmil-images/mine/6ir1) | Crystal structure of red fluorescent protein mCherry complexed with the nanobody LaM4 at 1.9 Angstron resolution | Descriptor: | MCherry fluorescent protein, mCherry's nanobody LaM4 | Authors: | Ding, Y, Wang, Z.Y, Hu, R.T, Chen, X. | Deposit date: | 2018-11-09 | Release date: | 2019-11-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.919 Å) | Cite: | Structural insights into the binding of nanobodies LaM2 and LaM4 to the red fluorescent protein mCherry. Protein Sci., 30, 2021
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6ITP
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![BU of 6itp by Molmil](/molmil-images/mine/6itp) | Crystal structure of cortisol complexed with its nanobody at pH 3.5 | Descriptor: | (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione, anti-cortisol camelid antibody | Authors: | Ding, Y, Ding, L.L, Wang, Z.Y, Zhong, P.Y. | Deposit date: | 2018-11-24 | Release date: | 2019-07-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.572 Å) | Cite: | Structural insights into the mechanism of single domain VHH antibody binding to cortisol. Febs Lett., 593, 2019
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7WHD
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![BU of 7whd by Molmil](/molmil-images/mine/7whd) | SARS-CoV-2 spike in complex with the ZB8 neutralizing antibody Fab (2u1d) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Zeng, J.W, Wang, X.W, Ge, J.W, Wang, Z.Y. | Deposit date: | 2021-12-30 | Release date: | 2023-01-18 | Last modified: | 2023-09-06 | Method: | ELECTRON MICROSCOPY (2.65 Å) | Cite: | SARS-CoV-2 hijacks neutralizing dimeric IgA for nasal infection and injury in Syrian hamsters 1 . Emerg Microbes Infect, 12, 2023
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7V97
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![BU of 7v97 by Molmil](/molmil-images/mine/7v97) | Arsenic-bound p53 DNA-binding domain mutant V272M | Descriptor: | ARSENIC, Cellular tumor antigen p53, ZINC ION | Authors: | Lu, M, Xing, Y.F, Wang, Z.Y, Ni, Y, Song, H.X. | Deposit date: | 2021-08-24 | Release date: | 2022-08-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Diverse rescue potencies of p53 mutations to ATO are predetermined by intrinsic mutational properties. Sci Transl Med, 15, 2023
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