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7TAW
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BU of 7taw by Molmil
Cryo-EM structure of the Csy-AcrIF24-promoter 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2021-12-21
公開日2022-09-21
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structural basis of AcrIF24 as an anti-CRISPR protein and transcriptional suppressor.
Nat.Chem.Biol., 18, 2022
7T3K
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BU of 7t3k by Molmil
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
7SQK
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BU of 7sqk by Molmil
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
7TAX
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BU of 7tax by Molmil
Cryo-EM structure of the Csy-AcrIF24-promoter DNA complex
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2021-12-21
公開日2022-09-21
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural basis of AcrIF24 as an anti-CRISPR protein and transcriptional suppressor.
Nat.Chem.Biol., 18, 2022
7T3J
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BU of 7t3j by Molmil
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
7T3L
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BU of 7t3l by Molmil
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
6MVD
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BU of 6mvd by Molmil
Crystal structure of Lecithin:cholesterol acyltransferase (LCAT) in complex with isopropyl dodec-11-enylfluorophosphonate (IDFP) and a small molecule activator
分子名称: 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, ...
著者Manthei, K.A, Chang, L, Tesmer, J.J.G.
登録日2018-10-25
公開日2018-12-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Molecular basis for activation of lecithin:cholesterol acyltransferase by a compound that increases HDL cholesterol.
Elife, 7, 2018
5MTK
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BU of 5mtk by Molmil
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
5MMV
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BU of 5mmv by Molmil
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
5LWP
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BU of 5lwp by Molmil
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
6GVF
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BU of 6gvf by Molmil
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
6GVI
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BU of 6gvi by Molmil
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
6GVG
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BU of 6gvg by Molmil
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
6RNX
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BU of 6rnx by Molmil
Crystal structure of the essential repressor DdrO from radiation-resistant Deinococcus bacteria (Deinococcus deserti)
分子名称: CHLORIDE ION, HTH-type transcriptional regulator DdrOC
著者Arnoux, P, Siponen, M.I, Pignol, D, De Groot, A, Blanchard, L.
登録日2019-05-09
公開日2019-10-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Crystal structure of the transcriptional repressor DdrO: insight into the metalloprotease/repressor-controlled radiation response in Deinococcus.
Nucleic Acids Res., 47, 2019
6RMQ
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BU of 6rmq by Molmil
Crystal structure of a selenomethionine-substituted A70M I84M mutant of the essential repressor DdrO from radiation resistant-Deinococcus bacteria (Deinococcus deserti)
分子名称: HTH-type transcriptional regulator DdrOC
著者Arnoux, P, Siponen, M.I, Pignol, D, De Groot, A, Blanchard, L.
登録日2019-05-07
公開日2019-10-09
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of the transcriptional repressor DdrO: insight into the metalloprotease/repressor-controlled radiation response in Deinococcus.
Nucleic Acids Res., 47, 2019
6F6R
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BU of 6f6r by Molmil
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
8PKP
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BU of 8pkp by Molmil
Cryo-EM structure of the apo Anaphase-promoting complex/cyclosome (APC/C) at 3.2 Angstrom resolution
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2023-06-27
公開日2023-07-19
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献High-resolution structure of the Anaphase-promoting complex (APC/C) bound to co-activator Cdh1
To Be Published
6GVH
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BU of 6gvh by Molmil
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
6RNZ
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BU of 6rnz by Molmil
Crystal structure of the N-terminal HTH DNA-binding domain of the essential repressor DdrO from radiation-resistant Deinococcus bacteria (Deinococcus deserti)
分子名称: GLYCEROL, HTH-type transcriptional regulator DdrOC
著者Arnoux, P, Siponen, M.I, Pignol, D, Brandelet, G, De Groot, A, Blanchard, L.
登録日2019-05-10
公開日2019-10-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Crystal structure of the transcriptional repressor DdrO: insight into the metalloprotease/repressor-controlled radiation response in Deinococcus.
Nucleic Acids Res., 47, 2019
6RO6
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BU of 6ro6 by Molmil
Crystal structure of the C-terminal dimerization domain of the essential repressor DdrO from radiation-resistant Deinococcus bacteria (Deinococcus deserti)
分子名称: HTH-type transcriptional regulator DdrOC, SULFATE ION
著者Pignol, D, Arnoux, P, Siponen, M.I, Brandelet, G, De Groot, A, Blanchard, L.
登録日2019-05-10
公開日2019-10-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Crystal structure of the transcriptional repressor DdrO: insight into the metalloprotease/repressor-controlled radiation response in Deinococcus.
Nucleic Acids Res., 47, 2019
7YXU
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BU of 7yxu by Molmil
Crystal structure of agonistic antibody 1618 fab domain bound to human 4-1BB.
分子名称: MANGANESE (II) ION, Tumor necrosis factor receptor superfamily member 9, heavy chain of Fab, ...
著者Hakansson, M, Rose, N, Petersson, J, Enell Smith, K, Thorolfsson, M, von Schantz, L.
登録日2022-02-16
公開日2023-01-25
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献The Bispecific Tumor Antigen-Conditional 4-1BB x 5T4 Agonist, ALG.APV-527, Mediates Strong T-Cell Activation and Potent Antitumor Activity in Preclinical Studies.
Mol.Cancer Ther., 22, 2023
7TBK
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BU of 7tbk by Molmil
Composite structure of the dilated human nuclear pore complex (NPC) symmetric core generated with a 37A in situ cryo-ET map of CD4+ T cell NPC
分子名称: NUP107 CTD, NUP107 NTD, NUP133, ...
著者Petrovic, S, Samanta, D, Perriches, T, Bley, C.J, Thierbach, K, Brown, B, Nie, S, Mobbs, G.W, Stevens, T.A, Liu, X, Tomaleri, G.P, Schaus, L, Hoelz, A.
登録日2021-12-22
公開日2022-06-15
最終更新日2022-06-22
実験手法ELECTRON MICROSCOPY (37 Å)
主引用文献Architecture of the linker-scaffold in the nuclear pore.
Science, 376, 2022
7TBI
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BU of 7tbi by Molmil
Composite structure of the S. cerevisiae nuclear pore complex (NPC)
分子名称: Dyn2, Nic96 R1, Nic96 R2, ...
著者Petrovic, S, Samanta, D, Perriches, T, Bley, C.J, Thierbach, K, Brown, B, Nie, S, Mobbs, G.W, Stevens, T.A, Liu, X, Tomaleri, G.P, Schaus, L, Hoelz, A.
登録日2021-12-22
公開日2022-06-15
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (25 Å)
主引用文献Architecture of the linker-scaffold in the nuclear pore.
Science, 376, 2022
7TBJ
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BU of 7tbj by Molmil
Composite structure of the human nuclear pore complex (NPC) symmetric core generated with a 12A cryo-ET map of the purified HeLa cell NPC
分子名称: NUP107 CTD, NUP107 NTD, NUP133, ...
著者Petrovic, S, Samanta, D, Perriches, T, Bley, C.J, Thierbach, K, Brown, B, Nie, S, Mobbs, G.W, Stevens, T.A, Liu, X, Tomaleri, G.P, Schaus, L, Hoelz, A.
登録日2021-12-22
公開日2022-06-22
最終更新日2022-06-29
実験手法ELECTRON MICROSCOPY (23 Å)
主引用文献Architecture of the linker-scaffold in the nuclear pore.
Science, 376, 2022
5MZ6
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BU of 5mz6 by Molmil
Cryo-EM structure of a Separase-Securin complex from Caenorhabditis elegans at 3.8 A resolution
分子名称: Interactor of FizzY protein, SEParase
著者Boland, A, Martin, T.G, Zhang, Z, Yang, J, Bai, X.C, Chang, L, Scheres, S.H.W, Barford, D.
登録日2017-01-31
公開日2017-03-08
最終更新日2019-12-11
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Cryo-EM structure of a metazoan separase-securin complex at near-atomic resolution.
Nat. Struct. Mol. Biol., 24, 2017

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