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4OLS
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BU of 4ols by Molmil
The amidase-2 domain of LysGH15
分子名称: Endolysin, FE (III) ION, MAGNESIUM ION, ...
著者Gu, J, Ouyang, S, Liu, Z.J, Han, W.
登録日2014-01-24
公開日2014-06-04
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structural and biochemical characterization reveals LysGH15 as an unprecedented "EF-hand-like" calcium-binding phage lysin.
Plos Pathog., 10, 2014
5D39
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BU of 5d39 by Molmil
Transcription factor-DNA complex
分子名称: DNA (5'-D(P*AP*TP*GP*GP*AP*TP*TP*TP*CP*CP*TP*GP*GP*AP*AP*GP*AP*CP*AP*GP*A)-3'), DNA (5'-D(P*TP*CP*TP*GP*TP*CP*TP*TP*CP*CP*AP*GP*GP*AP*AP*AP*TP*CP*CP*AP*T)-3'), Signal transducer and activator of transcription 6
著者Li, J, Niu, F, Ouyang, S, Liu, Z.
登録日2015-08-06
公開日2016-08-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural basis for DNA recognition by STAT6
Proc.Natl.Acad.Sci.USA, 113, 2016
4Y5U
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BU of 4y5u by Molmil
Transcription factor
分子名称: NICKEL (II) ION, Signal transducer and activator of transcription 6
著者Li, J, Niu, F, Ouyang, S, Liu, Z.
登録日2015-02-12
公開日2016-02-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.708 Å)
主引用文献Structural basis for DNA recognition by STAT6
Proc.Natl.Acad.Sci.USA, 113, 2016
4Y5W
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BU of 4y5w by Molmil
Transcription factor-DNA complex
分子名称: DNA (5'-D(P*AP*TP*GP*GP*AP*TP*TP*TP*CP*CP*TP*AP*GP*GP*AP*AP*GP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*TP*CP*TP*TP*CP*CP*TP*AP*GP*GP*AP*AP*AP*TP*CP*CP*AP*T)-3'), Signal transducer and activator of transcription 6
著者Li, J, Niu, F, Ouyang, S, Liu, Z.
登録日2015-02-12
公開日2016-02-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.104 Å)
主引用文献Structural basis for DNA recognition by STAT6
Proc.Natl.Acad.Sci.USA, 113, 2016
8ILR
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BU of 8ilr by Molmil
Cryo-EM structure of PI3Kalpha in complex with compound 16
分子名称: N-[(2S)-1-(ethylamino)-1-oxidanylidene-3-[4-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Zhou, Q, Liu, X, Neri, D, Li, W, Favalli, N, Bassi, G, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W.
登録日2023-03-04
公開日2023-08-30
実験手法ELECTRON MICROSCOPY (3.05 Å)
主引用文献Structural insights into the interaction of three Y-shaped ligands with PI3K alpha.
Proc.Natl.Acad.Sci.USA, 120, 2023
8ILV
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BU of 8ilv by Molmil
Cryo-EM structure of PI3Kalpha in complex with compound 18
分子名称: N-[(2R)-1-(ethylamino)-1-oxidanylidene-3-[3-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Zhou, Q, Liu, X, Neri, D, Li, W, Favalli, N, Bassi, G, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W.
登録日2023-03-04
公開日2023-09-06
実験手法ELECTRON MICROSCOPY (3.19 Å)
主引用文献Structural insights into the interaction of three Y-shaped ligands with PI3K alpha.
Proc.Natl.Acad.Sci.USA, 120, 2023
8ILS
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BU of 8ils by Molmil
Cryo-EM structure of PI3Kalpha in complex with compound 17
分子名称: N-[(2R)-1-(ethylamino)-1-oxidanylidene-3-[4-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Zhou, Q, Liu, X, Neri, D, Li, W, Favalli, N, Bassi, G, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W.
登録日2023-03-04
公開日2023-09-13
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural insights into the interaction of three Y-shaped ligands with PI3K alpha.
Proc.Natl.Acad.Sci.USA, 120, 2023
7WXZ
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BU of 7wxz by Molmil
Crystal structure of the recombinant protein HR121 from the S2 protein of SARS-CoV-2
分子名称: Spike protein S2'
著者Zheng, Y.T, Ouyang, S, Pang, W, Lu, Y, Zhao, Y.B.
登録日2022-02-15
公開日2022-11-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献A variant-proof SARS-CoV-2 vaccine targeting HR1 domain in S2 subunit of spike protein.
Cell Res., 32, 2022
8DCP
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BU of 8dcp by Molmil
PI 3-kinase alpha with nanobody 3-126
分子名称: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Hart, J.R, Liu, X, Pan, C, Liang, A, Ueno, L, Xu, Y, Quezada, A, Zou, X, Yang, S, Zhou, Q, Schoonooghe, S, Hassanzadeh-Ghassabeh, G, Xia, T, Shui, W, Yang, D, Vogt, P.K, Wang, M.-W.
登録日2022-06-17
公開日2022-09-21
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.41 Å)
主引用文献Nanobodies and chemical cross-links advance the structural and functional analysis of PI3K alpha.
Proc.Natl.Acad.Sci.USA, 119, 2022
8DD4
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BU of 8dd4 by Molmil
PI 3-kinase alpha with nanobody 3-142
分子名称: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Hart, J.R, Liu, X, Pan, C, Liang, A, Ueno, L, Xu, Y, Quezada, A, Zou, X, Yang, S, Zhou, Q, Schoonooghe, S, Hassanzadeh-Ghassabeh, G, Xia, T, Shui, W, Yang, D, Vogt, P.K, Wang, M.-W.
登録日2022-06-17
公開日2022-09-21
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Nanobodies and chemical cross-links advance the structural and functional analysis of PI3K alpha.
Proc.Natl.Acad.Sci.USA, 119, 2022
8DD8
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BU of 8dd8 by Molmil
PI 3-kinase alpha with nanobody 3-142, crosslinked with DSG
分子名称: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Hart, J.R, Liu, X, Pan, C, Liang, A, Ueno, L, Xu, Y, Quezada, A, Zou, X, Yang, S, Zhou, Q, Schoonooghe, S, Hassanzadeh-Ghassabeh, G, Xia, T, Shui, W, Yang, D, Vogt, P.K, Wang, M.-W.
登録日2022-06-17
公開日2022-09-21
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Nanobodies and chemical cross-links advance the structural and functional analysis of PI3K alpha.
Proc.Natl.Acad.Sci.USA, 119, 2022
8DCX
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BU of 8dcx by Molmil
PI 3-kinase alpha with nanobody 3-159
分子名称: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Hart, J.R, Liu, X, Pan, C, Liang, A, Ueno, L, Xu, Y, Quezada, A, Zou, X, Yang, S, Zhou, Q, Schoonooghe, S, Hassanzadeh-Ghassabeh, G, Xia, T, Shui, W, Yang, D, Vogt, P.K, Wang, M.-W.
登録日2022-06-17
公開日2022-09-21
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Nanobodies and chemical cross-links advance the structural and functional analysis of PI3K alpha.
Proc.Natl.Acad.Sci.USA, 119, 2022
7DMY
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BU of 7dmy by Molmil
The crystal structure of Cpd7 in complex with BPTF bromodomain
分子名称: Nucleosome-remodeling factor subunit BPTF, tert-butyl 3-methyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]-4-oxidanylidene-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
著者Xiong, L, Guo, Y, Yang, S.
登録日2020-12-08
公開日2021-10-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of selective BPTF bromodomain inhibitors by screening and structure-based optimization.
Biochem.Biophys.Res.Commun., 545, 2021
7DN4
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BU of 7dn4 by Molmil
The crystal structure of Cpd8 in complex with BPTF bromodomain
分子名称: 3-methyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one, Nucleosome-remodeling factor subunit BPTF
著者Xiong, L, Guo, Y, Yang, S.
登録日2020-12-08
公開日2021-10-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.841 Å)
主引用文献Discovery of selective BPTF bromodomain inhibitors by screening and structure-based optimization.
Biochem.Biophys.Res.Commun., 545, 2021
4ZM6
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BU of 4zm6 by Molmil
A unique GCN5-related glucosamine N-acetyltransferase region exist in the fungal multi-domain GH3 beta-N-acetylglucosaminidase
分子名称: ACETYL COENZYME *A, N-acetyl-beta-D glucosaminidase, SULFATE ION
著者Qin, Z, Xiao, Y, Yang, X, Jiang, Z, Yang, S, Mesters, J.R.
登録日2015-05-02
公開日2015-12-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A unique GCN5-related glucosamine N-acetyltransferase region exist in the fungal multi-domain glycoside hydrolase family 3 beta-N-acetylglucosaminidase
Sci Rep, 5, 2015
5H9Y
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BU of 5h9y by Molmil
Crystal structure of GH family 64 laminaripentaose-producing beta-1,3-glucanase from Paenibacillus barengoltzii complexed with laminarihexaose.
分子名称: L(+)-TARTARIC ACID, beta-1,3-glucanase, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose, ...
著者Zhen, Q, Yan, Q, Yang, S, Jiang, Z, You, X.
登録日2015-12-29
公開日2017-02-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.969 Å)
主引用文献The recognition mechanism of triple-helical beta-1,3-glucan by a beta-1,3-glucanase
Chem. Commun. (Camb.), 53, 2017
5H9X
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Crystal structure of GH family 64 laminaripentaose-producing beta-1,3-glucanase from Paenibacillus barengoltzii
分子名称: beta-1,3-glucanase
著者Zhen, Q, Yan, Q, Yang, S, Jiang, Z, You, X.
登録日2015-12-29
公開日2017-02-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献The recognition mechanism of triple-helical beta-1,3-glucan by a beta-1,3-glucanase
Chem. Commun. (Camb.), 53, 2017
8T6V
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BU of 8t6v by Molmil
Cryo-EM structure of human Anion Exchanger 1 bound to 4,4'-Diisothiocyanatostilbene-2,2'-Disulfonic Acid (DIDS)
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4,4'-Diisothiocyano-2,2'-stilbenedisulfonic acid, ...
著者Capper, M.J, Zilberg, G, Mathiharan, Y.K, Yang, S, Stone, A.C, Wacker, D.
登録日2023-06-18
公開日2023-09-13
最終更新日2023-11-01
実験手法ELECTRON MICROSCOPY (2.95 Å)
主引用文献Substrate binding and inhibition of the anion exchanger 1 transporter.
Nat.Struct.Mol.Biol., 30, 2023
8T6U
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Cryo-EM structure of human Anion Exchanger 1 bound to Dipyridamole
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-[[2-[bis(2-hydroxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Capper, M.J, Zilberg, G, Mathiharan, Y.K, Yang, S, Stone, A.C, Wacker, D.
登録日2023-06-18
公開日2023-09-13
最終更新日2023-11-01
実験手法ELECTRON MICROSCOPY (3.13 Å)
主引用文献Substrate binding and inhibition of the anion exchanger 1 transporter.
Nat.Struct.Mol.Biol., 30, 2023
5KZF
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BU of 5kzf by Molmil
Crystal structure of near full-length hexameric Mycobacterium tuberculosis proteasomal ATPase Mpa in apo form
分子名称: Proteasome-associated ATPase
著者Li, H, Hu, K, Yang, S, Bai, L.
登録日2016-07-25
公開日2017-05-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.49 Å)
主引用文献Mycobacterium tuberculosis proteasomal ATPase Mpa has a beta-grasp domain that hinders docking with the proteasome core protease.
Mol. Microbiol., 105, 2017
4WTR
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BU of 4wtr by Molmil
Active-site mutant of Rhizomucor miehei beta-1,3-glucanosyltransferase in complex with laminaribiose
分子名称: beta-1,3-glucanosyltransferase, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose
著者Qin, Z, Yan, Q, Lei, J, Yang, S, Jiang, Z.
登録日2014-10-30
公開日2015-08-12
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献The first crystal structure of a glycoside hydrolase family 17 beta-1,3-glucanosyltransferase displays a unique catalytic cleft.
Acta Crystallogr.,Sect.D, 71, 2015
4WTP
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BU of 4wtp by Molmil
Crystal structure of glycoside hydrolase family 17 beta-1,3-glucanosyltransferase from Rhizomucor miehei
分子名称: 1,2-ETHANEDIOL, beta-1,3-glucanosyltransferase
著者Qin, Z, Yan, Q, Lei, J, Yang, S, Jiang, Z.
登録日2014-10-30
公開日2015-08-12
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献The first crystal structure of a glycoside hydrolase family 17 beta-1,3-glucanosyltransferase displays a unique catalytic cleft.
Acta Crystallogr.,Sect.D, 71, 2015
4WTS
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BU of 4wts by Molmil
Active-site mutant of Rhizomucor miehei beta-1,3-glucanosyltransferase in complex with laminaritriose
分子名称: beta-1,3-glucanosyltransferase, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose
著者Qin, Z, Yan, Q, Lei, J, Yang, S, Jiang, Z.
登録日2014-10-30
公開日2015-08-12
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The first crystal structure of a glycoside hydrolase family 17 beta-1,3-glucanosyltransferase displays a unique catalytic cleft.
Acta Crystallogr.,Sect.D, 71, 2015
3ECM
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BU of 3ecm by Molmil
Crystal structure of the unliganded PDE8A catalytic domain
分子名称: High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A, MAGNESIUM ION, ZINC ION
著者Wang, H, Yan, Z, Yang, S, Cai, J, Robinson, H, Ke, H.
登録日2008-09-01
公開日2008-11-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Kinetic and structural studies of phosphodiesterase-8A and implication on the inhibitor selectivity
Biochemistry, 47, 2008
3ECN
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BU of 3ecn by Molmil
Crystal structure of PDE8A catalytic domain in complex with IBMX
分子名称: 3-ISOBUTYL-1-METHYLXANTHINE, High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A, MAGNESIUM ION, ...
著者Wang, H, Yan, Z, Yang, S, Cai, J, Robinson, H, Ke, H.
登録日2008-09-01
公開日2008-11-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Kinetic and structural studies of phosphodiesterase-8A and implication on the inhibitor selectivity
Biochemistry, 47, 2008

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