2D3Z
 
 | | X-ray crystal structure of hepatitis C virus RNA-dependent RNA polymerase in complex with non-nucleoside analogue inhibitor | | 分子名称: | 5-(4-FLUOROPHENYL)-3-{[(4-METHYLPHENYL)SULFONYL]AMINO}THIOPHENE-2-CARBOXYLIC ACID, polyprotein | | 著者 | Biswal, B.K, Wang, M, Cherney, M.M, Chan, L, Yannopoulos, C.G, Bilimoria, D, Bedard, J, James, M.N.G. | | 登録日 | 2005-10-04 | | 公開日 | 2006-08-01 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | 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
 | | X-ray crystal structure of hepatitis C virus RNA dependent RNA polymerase in complex with non-nucleoside analogue inhibitor | | 分子名称: | 5-(4-CYANOPHENYL)-3-{[(2-METHYLPHENYL)SULFONYL]AMINO}THIOPHENE-2-CARBOXYLIC ACID, polyprotein | | 著者 | Biswal, B.K, Wang, M, Cherney, M.M, Chan, L, Yannopoulos, C.G, Bilimoria, D, Bedard, J, James, M.N.G. | | 登録日 | 2005-10-02 | | 公開日 | 2006-08-01 | | 最終更新日 | 2017-10-11 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | 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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7T3K
 | | Cryo-EM structure of Csy-AcrIF24 dimer | | 分子名称: | AcrIF24, CRISPR type I-F/YPEST-associated protein Csy2, CRISPR type I-F/YPEST-associated protein Csy3, ... | | 著者 | Mukherjee, I.A, Chang, L. | | 登録日 | 2021-12-08 | | 公開日 | 2022-09-21 | | 最終更新日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Structural basis of AcrIF24 as an anti-CRISPR protein and transcriptional suppressor.
Nat.Chem.Biol., 18, 2022
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7SQK
 | | Cryo-EM structure of the human augmin complex | | 分子名称: | HAUS augmin-like complex subunit 1, HAUS augmin-like complex subunit 2, HAUS augmin-like complex subunit 3, ... | | 著者 | Gabel, C.A, Chang, L. | | 登録日 | 2021-11-05 | | 公開日 | 2022-09-21 | | 最終更新日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (8 Å) | | 主引用文献 | Molecular architecture of the augmin complex.
Nat Commun, 13, 2022
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7T3J
 | | Cryo-EM structure of Csy-AcrIF24 | | 分子名称: | AcrIF24, CRISPR type I-F/YPEST-associated protein Csy2, CRISPR type I-F/YPEST-associated protein Csy3, ... | | 著者 | Mukherjee, I.A, Chang, L. | | 登録日 | 2021-12-08 | | 公開日 | 2022-09-21 | | 最終更新日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | 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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7TAX
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7T3L
 | | Cryo-EM structure of Csy-AcrIF24-DNA dimer | | 分子名称: | AcrIF24, CRISPR type I-F/YPEST-associated protein Csy2, CRISPR type I-F/YPEST-associated protein Csy3, ... | | 著者 | Mukherjee, I.A, Chang, L. | | 登録日 | 2021-12-08 | | 公開日 | 2022-09-21 | | 最終更新日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Structural basis of AcrIF24 as an anti-CRISPR protein and transcriptional suppressor.
Nat.Chem.Biol., 18, 2022
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2K1Z
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2K20
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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 | | 分子名称: | 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 | | 著者 | 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. | | 登録日 | 2018-06-21 | | 公開日 | 2019-10-02 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Impact of Minor Structural Modifications on Properties of a Series of mTOR Inhibitors.
Acs Med.Chem.Lett., 10, 2019
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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 | | 分子名称: | 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 | | 著者 | 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. | | 登録日 | 2018-06-21 | | 公開日 | 2019-10-02 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | | 主引用文献 | Impact of Minor Structural Modifications on Properties of a Series of mTOR Inhibitors.
Acs Med.Chem.Lett., 10, 2019
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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 | | 分子名称: | 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 | | 著者 | 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. | | 登録日 | 2018-06-21 | | 公開日 | 2019-10-02 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Impact of Minor Structural Modifications on Properties of a Series of mTOR Inhibitors.
Acs Med.Chem.Lett., 10, 2019
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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 | | 分子名称: | 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 | | 著者 | 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. | | 登録日 | 2018-06-21 | | 公開日 | 2019-10-02 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Impact of Minor Structural Modifications on Properties of a Series of mTOR Inhibitors.
Acs Med.Chem.Lett., 10, 2019
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5MTK
 | | Crystal structure of human Caspase-1 with (3S,6S,10aS)-N-((2S,3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl)-6-(isoquinoline-1-carboxamido)-5-oxodecahydropyrrolo[1,2-a]azocine-3-carboxamide (PGE-3935199) | | 分子名称: | (3~{S})-3-[[(3~{S},6~{S},10~{a}~{S})-6-(isoquinolin-1-ylcarbonylamino)-5-oxidanylidene-2,3,6,7,8,9,10,10~{a}-octahydro-1~{H}-pyrrolo[1,2-a]azocin-3-yl]carbonylamino]-4-oxidanyl-butanoic acid, Caspase-1 | | 著者 | Brethon, A, Chantalat, L, Christin, O, Clary, L, Fournier, J.F, Gastreich, M, Harris, C, Pascau, J, Isabet, T, Rodeschin, V, Thoreau, E, Roche, D. | | 登録日 | 2017-01-09 | | 公開日 | 2018-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | | 主引用文献 | Playing against the odds: scaffold hopping from 3D-fragments
To Be Published
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5MMV
 | | Crystal structure of human Caspase-1 with 2-((2-naphthoyl)-L-valyl)-4-hydroxy-N-((3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl)-2-azabicyclo[2.2.2]octane-3-carboxamide (Compound 1) | | 分子名称: | (3~{S})-3-[[(3~{S})-2-[(2~{S})-3-methyl-2-(naphthalen-2-ylcarbonylamino)butanoyl]-4-oxidanyl-2-azabicyclo[2.2.2]octan-3-yl]carbonylamino]-4-oxidanyl-butanoic acid, Caspase-1 | | 著者 | Brethon, A, Chantalat, L, Christin, O, Clary, L, Fournier, J.F, Gastreich, M, Harris, C, Pascau, J, Isabet, T, Rodeschin, V, Thoreau, E, Roche, D. | | 登録日 | 2016-12-12 | | 公開日 | 2017-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Crystal structure of human Caspase-1 with 2-((2-naphthoyl)-L-valyl)-4-hydroxy-N-((3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl)-2-azabicyclo[2.2.2]octane-3-carboxamide (Compound 1)
To Be Published
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5LWP
 | | Discovery of phenoxyindazoles and phenylthioindazoles as RORg inverse agonists | | 分子名称: | 4-[3-[2-chloranyl-6-(trifluoromethyl)phenoxy]-5-(dimethylcarbamoyl)indazol-1-yl]benzoic acid, Nuclear receptor ROR-gamma | | 著者 | Ouvry, G, Bouix-Peter, C, Ciesielski, F, Chantalat, L, Christin, O, Comino, C, Duvert, D, Feret, C, Harris, C.S, Luzy, A.-P, Musicki, B, Orfila, D, Pascau, J, Parnet, V, Perrin, A, Pierre, R, Raffin, C, Rival, Y, Taquet, N, Thoreau, E, Hennequin, L.F. | | 登録日 | 2016-09-19 | | 公開日 | 2016-11-16 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Discovery of phenoxyindazoles and phenylthioindazoles as ROR gamma inverse agonists.
Bioorg.Med.Chem.Lett., 26, 2016
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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 | | 分子名称: | (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 | | 著者 | 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. | | 登録日 | 2017-12-06 | | 公開日 | 2018-05-02 | | 最終更新日 | 2018-05-23 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Rational Drug Design of Topically Administered Caspase 1 Inhibitors for the Treatment of Inflammatory Acne.
J. Med. Chem., 61, 2018
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7QE7
 | | High-resolution structure of the Anaphase-promoting complex/cyclosome (APC/C) bound to co-activator Cdh1 | | 分子名称: | Anaphase-promoting complex subunit 1, Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, ... | | 著者 | Hoefler, A, Yu, J, Chang, L, Zhang, Z, Yang, J, Boland, A, Barford, D. | | 登録日 | 2021-12-01 | | 公開日 | 2022-01-26 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | High-resolution structure of the Anaphase-promoting complex (APC/C) bound to co-activator Cdh1
To Be Published
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8OZ3
 | | Crystal structure of scFv ATOR 1017 bound to human 4-1BB | | 分子名称: | Single chain Fv, Tumor necrosis factor receptor superfamily member 9 | | 著者 | Hakansson, M, Von Schantz, L, Rose, N. | | 登録日 | 2023-05-08 | | 公開日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | 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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5LCW
 | | Cryo-EM structure of the Anaphase-promoting complex/Cyclosome, in complex with the Mitotic checkpoint complex (APC/C-MCC) at 4.2 angstrom resolution | | 分子名称: | Anaphase-promoting complex subunit 1, Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, ... | | 著者 | Alfieri, C, Chang, L, Zhang, Z, Yang, J, Maslen, S, Skehel, M, Barford, D. | | 登録日 | 2016-06-22 | | 公開日 | 2016-08-10 | | 最終更新日 | 2019-10-23 | | 実験手法 | ELECTRON MICROSCOPY (4 Å) | | 主引用文献 | Molecular basis of APC/C regulation by the spindle assembly checkpoint.
Nature, 536, 2016
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6G3O
 | | Crystal structure of human HDAC2 in complex with (R)-6-[3,4-Dioxo-2-(4-trifluoromethoxy-phenylamino)-cyclobut-1-enylamino]-heptanoic acid hydroxyamide | | 分子名称: | (6~{R})-6-[[3,4-bis(oxidanylidene)-2-[[4-(trifluoromethyloxy)phenyl]amino]cyclobuten-1-yl]amino]-~{N}-oxidanyl-heptanamide, CALCIUM ION, Histone deacetylase 2, ... | | 著者 | Isabet, T, Aurelly, M, Chantalat, L, Thoreau, E. | | 登録日 | 2018-03-26 | | 公開日 | 2018-06-27 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | 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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1MQO
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6QLE
 | | Structure of inner kinetochore CCAN complex | | 分子名称: | 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, ... | | 著者 | Yan, K, Yang, J, Zhang, Z, McLaughlin, S.H, Chang, L, Fasci, D, Heck, A.J.R, Barford, D. | | 登録日 | 2019-01-31 | | 公開日 | 2019-10-02 | | 最終更新日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (3.55 Å) | | 主引用文献 | Structure of the inner kinetochore CCAN complex assembled onto a centromeric nucleosome.
Nature, 574, 2019
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6QLD
 | | Structure of inner kinetochore CCAN-Cenp-A complex | | 分子名称: | DNA (125-MER), Histone H2A.1, Histone H2B.1, ... | | 著者 | Yan, K, Yang, J, Zhang, Z, McLaughlin, S.H, Chang, L, Fasci, D, Heck, A.J.R, Barford, D. | | 登録日 | 2019-01-31 | | 公開日 | 2019-10-02 | | 最終更新日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (4.15 Å) | | 主引用文献 | Structure of the inner kinetochore CCAN complex assembled onto a centromeric nucleosome.
Nature, 574, 2019
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