1YUY
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![BU of 1yuy by Molmil](/molmil-images/mine/1yuy) | HEPATITIS C VIRUS NS5B RNA-DEPENDENT RNA POLYMERASE GENOTYPE 2a | Descriptor: | RNA-Dependent RNA polymerase, SULFATE ION | Authors: | Biswal, B.K, Cherney, M.M, Wang, M, Chan, L, Yannopoulos, C.G, Bilimoria, D, Nicolas, O, Bedard, J, James, M.N.G. | Deposit date: | 2005-02-14 | Release date: | 2005-03-22 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of the RNA dependent RNA polymerase genotype 2a of hepatitis C virus reveal two conformations and suggest mechanisms of inhibition by non-nucleoside inhibitors. J.Biol.Chem., 280, 2005
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2D41
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![BU of 2d41 by Molmil](/molmil-images/mine/2d41) | X-ray crystal structure of hepatitis C virus RNA-dependent RNA polymerase in complex with non-nucleoside inhibitor | Descriptor: | 5'-ACETYL-4-{[(2,4-DIMETHYLPHENYL)SULFONYL]AMINO}-2,2'-BITHIOPHENE-5-CARBOXYLIC ACID, polyprotein | Authors: | Biswal, B.K, Wang, M, Cherney, M.M, Chan, L, Yannopoulos, C.G, Bilimoria, D, Bedard, J, James, M.N.G. | Deposit date: | 2005-10-05 | Release date: | 2006-08-01 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Non-nucleoside Inhibitors Binding to Hepatitis C Virus NS5B Polymerase Reveal a Novel Mechanism of Inhibition J.Mol.Biol., 361, 2006
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2D3Z
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![BU of 2d3z by Molmil](/molmil-images/mine/2d3z) | X-ray crystal structure of hepatitis C virus RNA-dependent RNA polymerase in complex with non-nucleoside analogue inhibitor | Descriptor: | 5-(4-FLUOROPHENYL)-3-{[(4-METHYLPHENYL)SULFONYL]AMINO}THIOPHENE-2-CARBOXYLIC ACID, polyprotein | Authors: | Biswal, B.K, Wang, M, Cherney, M.M, Chan, L, Yannopoulos, C.G, Bilimoria, D, Bedard, J, James, M.N.G. | Deposit date: | 2005-10-04 | Release date: | 2006-08-01 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Non-nucleoside Inhibitors Binding to Hepatitis C Virus NS5B Polymerase Reveal a Novel Mechanism of Inhibition J.Mol.Biol., 361, 2006
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2D3U
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![BU of 2d3u by Molmil](/molmil-images/mine/2d3u) | X-ray crystal structure of hepatitis C virus RNA dependent RNA polymerase in complex with non-nucleoside analogue inhibitor | Descriptor: | 5-(4-CYANOPHENYL)-3-{[(2-METHYLPHENYL)SULFONYL]AMINO}THIOPHENE-2-CARBOXYLIC ACID, polyprotein | Authors: | Biswal, B.K, Wang, M, Cherney, M.M, Chan, L, Yannopoulos, C.G, Bilimoria, D, Bedard, J, James, M.N.G. | Deposit date: | 2005-10-02 | Release date: | 2006-08-01 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Non-nucleoside Inhibitors Binding to Hepatitis C Virus NS5B Polymerase Reveal a Novel Mechanism of Inhibition J.Mol.Biol., 361, 2006
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2K1Z
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![BU of 2k1z by Molmil](/molmil-images/mine/2k1z) | |
2K20
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![BU of 2k20 by Molmil](/molmil-images/mine/2k20) | |
6GVF
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![BU of 6gvf by Molmil](/molmil-images/mine/6gvf) | Crystal structure of PI3K alpha in complex with 3-(2-Amino-benzooxazol-5-yl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylamine | Descriptor: | 5-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Ouvry, G, Aurelly, M, Bonnary, L, Borde, E, Bouix-Peter, C, Chantalat, L, Clary, L, Defoin-Platel, C, Deret, S, Forissier, M, Harris, C.S, Isabet, T, Lamy, L, Luzy, A.P, Pascau, J, Soulet, C, Taddei, A, Taquet, N, Tomas, L, Thoreau, E, Varvier, E, Vial, E, Hennequin, L.F. | Deposit date: | 2018-06-21 | Release date: | 2019-10-02 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Impact of Minor Structural Modifications on Properties of a Series of mTOR Inhibitors. Acs Med.Chem.Lett., 10, 2019
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6GVH
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![BU of 6gvh by Molmil](/molmil-images/mine/6gvh) | Crystal structure of PI3K alpha in complex with 3-(2-Amino-benzooxazol-5-yl)-4-chloro-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-6-ylamine | Descriptor: | 5-(6-azanyl-4-chloranyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Ouvry, G, Aurelly, M, Bonnary, L, Borde, E, Bouix-Peter, C, Chantalat, L, Clary, L, Defoin-Platel, C, Deret, S, Forissier, M, Harris, C.S, Isabet, T, Lamy, L, Luzy, A.P, Pascau, J, Soulet, C, Taddei, A, Taquet, N, Tomas, L, Thoreau, E, Varvier, E, Vial, E, Hennequin, L.F. | Deposit date: | 2018-06-21 | Release date: | 2019-10-02 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Impact of Minor Structural Modifications on Properties of a Series of mTOR Inhibitors. Acs Med.Chem.Lett., 10, 2019
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6GVI
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![BU of 6gvi by Molmil](/molmil-images/mine/6gvi) | Crystal structure of PI3K alpha in complex with 3-(2-Amino-benzooxazol-5-yl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine | Descriptor: | 3-(2-azanyl-1,3-benzoxazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-d]pyrimidine-4,6-diamine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Ouvry, G, Aurelly, M, Bonnary, L, Borde, E, Bouix-Peter, C, Chantalat, L, Clary, L, Defoin-Platel, C, Deret, S, Forissier, M, Harris, C.S, Isabet, T, Lamy, L, Luzy, A.P, Pascau, J, Soulet, C, Taddei, A, Taquet, N, Tomas, L, Thoreau, E, Varvier, E, Vial, E, Hennequin, L.F. | Deposit date: | 2018-06-21 | Release date: | 2019-10-02 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Impact of Minor Structural Modifications on Properties of a Series of mTOR Inhibitors. Acs Med.Chem.Lett., 10, 2019
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6GVG
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![BU of 6gvg by Molmil](/molmil-images/mine/6gvg) | Crystal structure of PI3K alpha in complex with 3-(2-Amino-benzooxazol-5-yl)-1-isopropyl-4-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-ylamine | Descriptor: | 5-(6-azanyl-4-methyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Ouvry, G, Aurelly, M, Bonnary, L, Borde, E, Bouix-Peter, C, Chantalat, L, Clary, L, Defoin-Platel, C, Deret, S, Forissier, M, Harris, C.S, Isabet, T, Lamy, L, Luzy, A.P, Pascau, J, Soulet, C, Taddei, A, Taquet, N, Tomas, L, Thoreau, E, Varvier, E, Vial, E, Hennequin, L.F. | Deposit date: | 2018-06-21 | Release date: | 2019-10-02 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Impact of Minor Structural Modifications on Properties of a Series of mTOR Inhibitors. Acs Med.Chem.Lett., 10, 2019
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6F6R
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![BU of 6f6r by Molmil](/molmil-images/mine/6f6r) | Crystal structure of human Caspase-1 with N-{3-[1-((S)-2-Hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-ethyl]-1-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl}-4-(quinoxalin-2-ylamino)-benzamide | Descriptor: | (3~{S})-3-[[(2~{R})-2-[3-methyl-2,6-bis(oxidanylidene)-5-[[4-(quinoxalin-2-ylamino)phenyl]carbonylamino]pyrimidin-1-yl]propanoyl]amino]-4-oxidanyl-butanoic acid, Caspase-1, SULFATE ION | Authors: | Fournier, J.F, Clary, L, Chambon, S, Dumais, L, Harris, C.S, Millois-Barbuis, C, Pierre, R, Talano, S, Thoreau, E, Aubert, J, Aurelly, M, Bouix-Peter, C, Brethon, A, Chantalat, L, Christin, O, Comino, C, El-Bazbouz, G, Ghilini, A.L, Isabet, T, Lardy, C, Luzy, A.P, Mathieu, C, Mebrouk, K, Orfila, D, Pascau, J, Reverse, K, Roche, D, Rodeschini, V, Hennequin, L.F. | Deposit date: | 2017-12-06 | Release date: | 2018-05-02 | Last modified: | 2018-05-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Rational Drug Design of Topically Administered Caspase 1 Inhibitors for the Treatment of Inflammatory Acne. J. Med. Chem., 61, 2018
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6G3O
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![BU of 6g3o by Molmil](/molmil-images/mine/6g3o) | Crystal structure of human HDAC2 in complex with (R)-6-[3,4-Dioxo-2-(4-trifluoromethoxy-phenylamino)-cyclobut-1-enylamino]-heptanoic acid hydroxyamide | Descriptor: | (6~{R})-6-[[3,4-bis(oxidanylidene)-2-[[4-(trifluoromethyloxy)phenyl]amino]cyclobuten-1-yl]amino]-~{N}-oxidanyl-heptanamide, CALCIUM ION, Histone deacetylase 2, ... | Authors: | Isabet, T, Aurelly, M, Chantalat, L, Thoreau, E. | Deposit date: | 2018-03-26 | Release date: | 2018-06-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Squaramides as novel class I and IIB histone deacetylase inhibitors for topical treatment of cutaneous t-cell lymphoma. Bioorg. Med. Chem. Lett., 28, 2018
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6F0X
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![BU of 6f0x by Molmil](/molmil-images/mine/6f0x) | Cryo-EM structure of TRIP13 in complex with ATP gamma S, p31comet, C-Mad2 and Cdc20 | Descriptor: | Cell division cycle protein 20 homolog, MAD2L1-binding protein, Mitotic spindle assembly checkpoint protein MAD2A, ... | Authors: | Alfieri, C, Chang, L, Barford, D. | Deposit date: | 2017-11-20 | Release date: | 2018-05-02 | Last modified: | 2020-12-02 | Method: | ELECTRON MICROSCOPY (4.6 Å) | Cite: | Mechanism for remodelling of the cell cycle checkpoint protein MAD2 by the ATPase TRIP13. Nature, 559, 2018
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6QLE
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![BU of 6qle by Molmil](/molmil-images/mine/6qle) | Structure of inner kinetochore CCAN complex | Descriptor: | Central kinetochore subunit CTF3,Inner kinetochore subunit CTF3,Central kinetochore subunit CTF3,Inner kinetochore subunit CTF3, Central kinetochore subunit MCM16,Central kinetochore subunit MCM16,Inner kinetochore subunit MCM16,Mcm16p, Inner kinetochore subunit AME1,Inner kinetochore subunit AME1,Inner kinetochore subunit AME1,Inner kinetochore subunit AME1, ... | Authors: | Yan, K, Yang, J, Zhang, Z, McLaughlin, S.H, Chang, L, Fasci, D, Heck, A.J.R, Barford, D. | Deposit date: | 2019-01-31 | Release date: | 2019-10-02 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.55 Å) | Cite: | Structure of the inner kinetochore CCAN complex assembled onto a centromeric nucleosome. Nature, 574, 2019
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6QLD
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![BU of 6qld by Molmil](/molmil-images/mine/6qld) | Structure of inner kinetochore CCAN-Cenp-A complex | Descriptor: | DNA (125-MER), Histone H2A.1, Histone H2B.1, ... | Authors: | Yan, K, Yang, J, Zhang, Z, McLaughlin, S.H, Chang, L, Fasci, D, Heck, A.J.R, Barford, D. | Deposit date: | 2019-01-31 | Release date: | 2019-10-02 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (4.15 Å) | Cite: | Structure of the inner kinetochore CCAN complex assembled onto a centromeric nucleosome. Nature, 574, 2019
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6QLF
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![BU of 6qlf by Molmil](/molmil-images/mine/6qlf) | Structure of inner kinetochore CCAN complex with mask1 | Descriptor: | Inner kinetochore subunit AME1, Inner kinetochore subunit CHL4, Inner kinetochore subunit CTF19, ... | Authors: | Yan, K, Yang, J, Zhang, Z, McLaughlin, S.H, Chang, L, Fasci, D, Heck, A.J.R, Barford, D. | Deposit date: | 2019-01-31 | Release date: | 2019-10-02 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.45 Å) | Cite: | Structure of the inner kinetochore CCAN complex assembled onto a centromeric nucleosome. Nature, 574, 2019
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7T3K
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![BU of 7t3k by Molmil](/molmil-images/mine/7t3k) | Cryo-EM structure of Csy-AcrIF24 dimer | Descriptor: | AcrIF24, CRISPR type I-F/YPEST-associated protein Csy2, CRISPR type I-F/YPEST-associated protein Csy3, ... | Authors: | Mukherjee, I.A, Chang, L. | Deposit date: | 2021-12-08 | Release date: | 2022-09-21 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structural basis of AcrIF24 as an anti-CRISPR protein and transcriptional suppressor. Nat.Chem.Biol., 18, 2022
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7SQK
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![BU of 7sqk by Molmil](/molmil-images/mine/7sqk) | Cryo-EM structure of the human augmin complex | Descriptor: | HAUS augmin-like complex subunit 1, HAUS augmin-like complex subunit 2, HAUS augmin-like complex subunit 3, ... | Authors: | Gabel, C.A, Chang, L. | Deposit date: | 2021-11-05 | Release date: | 2022-09-21 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (8 Å) | Cite: | Molecular architecture of the augmin complex. Nat Commun, 13, 2022
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7T3J
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![BU of 7t3j by Molmil](/molmil-images/mine/7t3j) | Cryo-EM structure of Csy-AcrIF24 | Descriptor: | AcrIF24, CRISPR type I-F/YPEST-associated protein Csy2, CRISPR type I-F/YPEST-associated protein Csy3, ... | Authors: | Mukherjee, I.A, Chang, L. | Deposit date: | 2021-12-08 | Release date: | 2022-09-21 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural basis of AcrIF24 as an anti-CRISPR protein and transcriptional suppressor. Nat.Chem.Biol., 18, 2022
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7TAW
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![BU of 7taw by Molmil](/molmil-images/mine/7taw) | Cryo-EM structure of the Csy-AcrIF24-promoter DNA dimer | Descriptor: | AcrIF24, CRISPR type I-F/YPEST-associated protein Csy2, CRISPR type I-F/YPEST-associated protein Csy3, ... | Authors: | Mukherjee, I.A, Chang, L. | Deposit date: | 2021-12-21 | Release date: | 2022-09-21 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structural basis of AcrIF24 as an anti-CRISPR protein and transcriptional suppressor. Nat.Chem.Biol., 18, 2022
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7TAX
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![BU of 7tax by Molmil](/molmil-images/mine/7tax) | Cryo-EM structure of the Csy-AcrIF24-promoter DNA complex | Descriptor: | AcrIF24, CRISPR type I-F/YPEST-associated protein Csy2, CRISPR type I-F/YPEST-associated protein Csy3, ... | Authors: | Mukherjee, I.A, Chang, L. | Deposit date: | 2021-12-21 | Release date: | 2022-09-21 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structural basis of AcrIF24 as an anti-CRISPR protein and transcriptional suppressor. Nat.Chem.Biol., 18, 2022
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7T3L
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![BU of 7t3l by Molmil](/molmil-images/mine/7t3l) | Cryo-EM structure of Csy-AcrIF24-DNA dimer | Descriptor: | AcrIF24, CRISPR type I-F/YPEST-associated protein Csy2, CRISPR type I-F/YPEST-associated protein Csy3, ... | Authors: | Mukherjee, I.A, Chang, L. | Deposit date: | 2021-12-08 | Release date: | 2022-09-21 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural basis of AcrIF24 as an anti-CRISPR protein and transcriptional suppressor. Nat.Chem.Biol., 18, 2022
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7QE7
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![BU of 7qe7 by Molmil](/molmil-images/mine/7qe7) | High-resolution structure of the Anaphase-promoting complex/cyclosome (APC/C) bound to co-activator Cdh1 | Descriptor: | Anaphase-promoting complex subunit 1, Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, ... | Authors: | Hoefler, A, Yu, J, Chang, L, Zhang, Z, Yang, J, Boland, A, Barford, D. | Deposit date: | 2021-12-01 | Release date: | 2022-01-26 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | High-resolution structure of the Anaphase-promoting complex (APC/C) bound to co-activator Cdh1 To Be Published
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8OZ3
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![BU of 8oz3 by Molmil](/molmil-images/mine/8oz3) | Crystal structure of scFv ATOR 1017 bound to human 4-1BB | Descriptor: | Single chain Fv, Tumor necrosis factor receptor superfamily member 9 | Authors: | Hakansson, M, Von Schantz, L, Rose, N. | Deposit date: | 2023-05-08 | Release date: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | ATOR-1017 (evunzekibart), an Fc-gamma receptor conditional 4-1BB agonist designed for optimal safety and efficacy, activates exhausted T cells in combination with anti-PD-1. Cancer Immunol.Immunother., 72, 2023
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6MVD
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![BU of 6mvd by Molmil](/molmil-images/mine/6mvd) | Crystal structure of Lecithin:cholesterol acyltransferase (LCAT) in complex with isopropyl dodec-11-enylfluorophosphonate (IDFP) and a small molecule activator | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-{4-[(4R)-4-hydroxy-6-oxo-4-(trifluoromethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl}-4-(trifluoromethyl)pyridine-3-carbonitrile, NICKEL (II) ION, ... | Authors: | Manthei, K.A, Chang, L, Tesmer, J.J.G. | Deposit date: | 2018-10-25 | Release date: | 2018-12-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Molecular basis for activation of lecithin:cholesterol acyltransferase by a compound that increases HDL cholesterol. Elife, 7, 2018
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