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6LID
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BU of 6lid by Molmil
Heteromeric amino acid transporter b0,+AT-rBAT complex
分子名称: 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Yan, R.H, Li, Y.N, Lei, J.L, Zhou, Q.
登録日2019-12-10
公開日2020-04-29
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Cryo-EM structure of the human heteromeric amino acid transporter b0,+AT-rBAT.
Sci Adv, 6, 2020
6LI9
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Heteromeric amino acid transporter b0,+AT-rBAT complex bound with Arginine
分子名称: 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ARGININE, ...
著者Yan, R.H, Li, Y.N, Lei, J.L, Zhou, Q.
登録日2019-12-10
公開日2020-04-29
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献Cryo-EM structure of the human heteromeric amino acid transporter b0,+AT-rBAT.
Sci Adv, 6, 2020
6M1K
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BU of 6m1k by Molmil
USP7 in complex with a novel inhibitor
分子名称: Ubiquitin carboxyl-terminal hydrolase 7, methyl 4-[[4-[[3-[4-(aminomethyl)phenyl]-2-methyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-6-yl]methyl]-4-oxidanyl-piperidin-1-yl]methyl]-3-chloranyl-benzoate
著者Liu, S.J, Zhou, X.Y, Li, M.L, Sun, H.B, Wen, X.A.
登録日2020-02-26
公開日2021-03-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.255 Å)
主引用文献N-benzylpiperidinol derivatives as novel USP7 inhibitors: Structure-activity relationships and X-ray crystallographic studies.
Eur.J.Med.Chem., 199, 2020
5X7Z
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BU of 5x7z by Molmil
CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS MARR FAMILY PROTEIN RV2887 COMPLEX WITH P-AMINOSALICYLIC ACID
分子名称: 2-HYDROXY-4-AMINOBENZOIC ACID, Uncharacterized HTH-type transcriptional regulator Rv2887
著者Gao, Y.R, Li, D.F, Wang, D.C, Bi, L.J.
登録日2017-02-28
公開日2017-08-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural analysis of the regulatory mechanism of MarR protein Rv2887 in M. tuberculosis
Sci Rep, 7, 2017
5H3D
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BU of 5h3d by Molmil
Helical structure of membrane tubules decorated by ACAP1 (BARPH doamin) protein by cryo-electron microscopy and MD simulation
分子名称: Arf-GAP with coiled-coil, ANK repeat and PH domain-containing protein 1
著者Chan, C, Pang, X.Y, Zhang, Y, Sun, F, Fan, J.
登録日2016-10-22
公開日2019-01-16
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (14 Å)
主引用文献ACAP1 assembles into an unusual protein lattice for membrane deformation through multiple stages.
Plos Comput.Biol., 15, 2019
6SKM
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BU of 6skm by Molmil
Structure of the native full-length HIV-1 capsid protein A92E in helical assembly (-13,12)
分子名称: Gag protein
著者Ni, T, Gerard, S, Zhao, G, Ning, J, Zhang, P.
登録日2019-08-16
公開日2020-08-26
最終更新日2022-03-30
実験手法ELECTRON MICROSCOPY (4.9 Å)
主引用文献Intrinsic curvature of the HIV-1 CA hexamer underlies capsid topology and interaction with cyclophilin A.
Nat.Struct.Mol.Biol., 27, 2020
6SLQ
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BU of 6slq by Molmil
Structure of the native full-length HIV-1 capsid protein A92E in helical assembly (-12,11)
分子名称: Gag protein
著者Ni, T, Gerard, S, Zhao, G, Ning, J, Zhang, P.
登録日2019-08-20
公開日2020-09-09
最終更新日2022-03-30
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Intrinsic curvature of the HIV-1 CA hexamer underlies capsid topology and interaction with cyclophilin A.
Nat.Struct.Mol.Biol., 27, 2020
6SLU
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BU of 6slu by Molmil
Structure of the native full-length HIV-1 capsid protein A92E in helical assembly (-13,11)
分子名称: Gag protein
著者Ni, T, Gerard, S, Zhao, G, Ning, J, Zhang, P.
登録日2019-08-20
公開日2020-09-09
最終更新日2022-03-30
実験手法ELECTRON MICROSCOPY (4.7 Å)
主引用文献Intrinsic curvature of the HIV-1 CA hexamer underlies capsid topology and interaction with cyclophilin A.
Nat.Struct.Mol.Biol., 27, 2020
6SMU
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BU of 6smu by Molmil
Structure of the native full-length HIV-1 capsid protein in helical assembly (-13,12)
分子名称: Gag protein
著者Ni, T, Gerard, S, Zhao, G, Ning, J, Zhang, P.
登録日2019-08-22
公開日2020-09-09
最終更新日2022-03-30
実験手法ELECTRON MICROSCOPY (5 Å)
主引用文献Intrinsic curvature of the HIV-1 CA hexamer underlies capsid topology and interaction with cyclophilin A.
Nat.Struct.Mol.Biol., 27, 2020
4I52
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BU of 4i52 by Molmil
scMenB im complex with 1-hydroxy-2-naphthoyl-CoA
分子名称: 1-hydroxy-2-naphthoyl-CoA, CHLORIDE ION, Naphthoate synthase
著者Song, H.G, Sun, Y.R, Li, J, Li, Y, Jiang, M, Zhou, J.H, Guo, Z.H.
登録日2012-11-28
公開日2013-05-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural basis of the induced-fit mechanism of 1,4-dihydroxy-2-naphthoyl coenzyme a synthase from the crotonase fold superfamily
Plos One, 8, 2013
4I4Z
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BU of 4i4z by Molmil
Synechocystis sp. PCC 6803 1,4-dihydroxy-2-naphthoyl-coenzyme A synthase (MenB) in complex with salicylyl-CoA
分子名称: BICARBONATE ION, MALONATE ION, Naphthoate synthase, ...
著者Song, H.G, Sun, Y.R, Li, J, Li, Y, Jiang, M, Zhou, J.H, Guo, Z.H.
登録日2012-11-28
公開日2013-05-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis of the induced-fit mechanism of 1,4-dihydroxy-2-naphthoyl coenzyme a synthase from the crotonase fold superfamily
Plos One, 8, 2013
4JNA
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BU of 4jna by Molmil
Crystal structure of the DepH complex with dimethyl-FK228
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DepH, ...
著者Li, J, Wang, C, Zhang, Z.M, Zhou, J.H, Cheng, E.
登録日2013-03-14
公開日2014-03-05
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The structural basis of an NADP+-independent dithiol oxidase in FK228 biosynthesis.
Sci Rep, 4, 2014
5WWU
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BU of 5wwu by Molmil
Crystal Structure of HLA-A*2402 in complex with 2009 pandemic influenza A(H1N1) virus and avian influenza A(H5N1) virus-derived peptide H1-25
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-24 alpha chain, ...
著者Zhao, M, Liu, K, Chai, Y, Qi, J, Liu, J, Gao, G.F.
登録日2017-01-05
公開日2018-01-17
最終更新日2019-07-31
実験手法X-RAY DIFFRACTION (2.794 Å)
主引用文献Heterosubtypic Protections against Human-Infecting Avian Influenza Viruses Correlate to Biased Cross-T-Cell Responses.
Mbio, 9, 2018
7A1X
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BU of 7a1x by Molmil
KRASG12C GDP form in complex with Cpd1
分子名称: 3-(imidazol-1-ylmethyl)-1~{H}-indole, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Mathieu, M, Steier, V.
登録日2020-08-14
公開日2021-10-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献KRAS G12C fragment screening renders new binding pockets.
Small Gtpases, 13, 2022
7A1W
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BU of 7a1w by Molmil
KRASG12C GDP form in complex with Cpd3
分子名称: GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, MAGNESIUM ION, ...
著者Mathieu, M, Steier, V.
登録日2020-08-14
公開日2021-10-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献KRAS G12C fragment screening renders new binding pockets.
Small Gtpases, 13, 2022
7A1Y
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BU of 7a1y by Molmil
KRASG12C GDP form in complex with Cpd2
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Mathieu, M, Steier, V.
登録日2020-08-14
公開日2021-10-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.004 Å)
主引用文献KRAS G12C fragment screening renders new binding pockets.
Small Gtpases, 13, 2022
7A47
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BU of 7a47 by Molmil
KRASG12C GDP form in complex with Cpd4
分子名称: GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ~{N}-[3-bromanyl-2-(2-methylimidazol-1-yl)pyridin-4-yl]-3-[[3-bromanyl-2-(2-methylimidazol-1-yl)pyridin-4-yl]-propanoyl-amino]propanamide
著者Bertrand, T, Steier, V.
登録日2020-08-19
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献KRAS G12C fragment screening renders new binding pockets.
Small Gtpases, 13, 2022
5KYJ
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BU of 5kyj by Molmil
Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core
分子名称: (6~{R})-5-(5-fluoranyl-2-methoxy-pyrimidin-4-yl)-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole, Oxysterols receptor LXR-beta, Retinoic acid receptor RXR-beta
著者Chen, G, McKeever, B.M.
登録日2016-07-21
公開日2016-09-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core.
Bioorg.Med.Chem.Lett., 26, 2016
5KYA
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BU of 5kya by Molmil
Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core
分子名称: Oxysterols receptor LXR-beta, Retinoic acid receptor RXR-beta, [2-[(6~{R})-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-4-(trifluoromethyl)pyrimidin-5-yl]methanol
著者Chen, G, McKeever, B.M.
登録日2016-07-21
公開日2016-09-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.598 Å)
主引用文献Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core.
Bioorg.Med.Chem.Lett., 26, 2016
5WXD
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BU of 5wxd by Molmil
Crystal Structure of HLA-A*2402 in complex with avian influenza A(H7N9) virus-derived peptide H7-25 (data set 1)
分子名称: Beta-2-microglobulin, H7-25, HLA class I histocompatibility antigen, ...
著者Zhao, M, Liu, K, Chai, Y, Qi, J, Liu, J, Gao, G.F.
登録日2017-01-07
公開日2018-01-17
最終更新日2019-07-31
実験手法X-RAY DIFFRACTION (3.295 Å)
主引用文献Heterosubtypic Protections against Human-Infecting Avian Influenza Viruses Correlate to Biased Cross-T-Cell Responses.
Mbio, 9, 2018
7D78
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BU of 7d78 by Molmil
The structure of thioesterase DcsB
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DltD domain-containing protein, ...
著者Tang, Y, Zhou, J.H, Wang, G.Q.
登録日2020-10-03
公開日2021-01-27
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.96543121 Å)
主引用文献A Polyketide Cyclase That Forms Medium-Ring Lactones.
J.Am.Chem.Soc., 143, 2021
5WXC
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BU of 5wxc by Molmil
Crystal Structure of HLA-A*2402 in complex with avian influenza A(H7N9) virus-derived peptide H7-25 (data set 2)
分子名称: Beta-2-microglobulin, H7-25-F, HLA class I histocompatibility antigen, ...
著者Zhao, M, Liu, K, Chai, Y, Qi, J, Liu, J, Gao, G.F.
登録日2017-01-07
公開日2018-01-17
最終更新日2019-07-31
実験手法X-RAY DIFFRACTION (2.295 Å)
主引用文献Heterosubtypic Protections against Human-Infecting Avian Influenza Viruses Correlate to Biased Cross-T-Cell Responses.
Mbio, 9, 2018
7BQK
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BU of 7bqk by Molmil
The structure of PdxI in complex with its substrate analogue
分子名称: 1,2-ETHANEDIOL, 3-[(E,2S,4S)-2,4-dimethyloct-6-enoyl]-4-oxidanyl-1H-pyridin-2-one, GLYCEROL, ...
著者Cai, Y.J, Ohashi, M, Zhou, J.H, Tang, Y.
登録日2020-03-24
公開日2020-10-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献An enzymatic Alder-ene reaction.
Nature, 586, 2020
7BQL
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The crystal structure of PdxI complex with the Alder-ene adduct
分子名称: 3-[(1R,2S,4R,6S)-2-ethenyl-4,6-dimethyl-cyclohexyl]-4-oxidanyl-1H-pyridin-2-one, DI(HYDROXYETHYL)ETHER, Methyltransf_2 domain-containing protein
著者Cai, Y.J, Ohashi, M, Zhou, J.H, Tang, Y.
登録日2020-03-24
公開日2020-10-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.396 Å)
主引用文献An enzymatic Alder-ene reaction.
Nature, 586, 2020
7BQJ
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The structure of PdxI
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Methyltransf_2 domain-containing protein, ...
著者Cai, Y.J, Ohashi, M, Zhou, J.H, Tang, Y.
登録日2020-03-24
公開日2020-10-14
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献An enzymatic Alder-ene reaction.
Nature, 586, 2020

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