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2M80
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BU of 2m80 by Molmil
Solution structure of yeast dithiol glutaredoxin Grx8
分子名称: Glutaredoxin-8
著者Tang, Y, Zhang, J, Yu, J, Wu, J, Zhou, C.Z, Shi, Y.
登録日2013-05-02
公開日2014-05-07
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structure-guided activity enhancement and catalytic mechanism of yeast grx8
Biochemistry, 53, 2014
7BP3
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BU of 7bp3 by Molmil
Cryo-EM structure of the human MCT2
分子名称: Monocarboxylate transporter 2
著者Zhang, B, Jin, Q, Zhang, X, Guo, J, Ye, S.
登録日2020-03-21
公開日2020-06-03
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Cooperative transport mechanism of human monocarboxylate transporter 2.
Nat Commun, 11, 2020
3LAL
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BU of 3lal by Molmil
Crystal structure of HIV-1 reverse transcriptase in complex with N1-ethyl pyrimidinedione non-nucleoside inhibitor
分子名称: 3-{[3-ethyl-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}-5-methylbenzonitrile, HIV Reverse transcriptase, SULFATE ION
著者Lansdon, E.B, Mitchell, M.L.
登録日2010-01-06
公開日2010-02-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献N1-Alkyl pyrimidinediones as non-nucleoside inhibitors of HIV-1 reverse transcriptase.
Bioorg.Med.Chem.Lett., 20, 2010
3LAK
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BU of 3lak by Molmil
Crystal structure of HIV-1 reverse transcriptase in complex with N1-heterocycle pyrimidinedione non-nucleoside inhibitor
分子名称: 3-({3-[(2-amino-6-fluoropyridin-4-yl)methyl]-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl}carbonyl)-5-methylbenzonitrile, CHLORIDE ION, HIV Reverse transcriptase, ...
著者Lansdon, E.B, Mitchell, M.L.
登録日2010-01-06
公開日2010-02-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献N1-Heterocyclic pyrimidinediones as non-nucleoside inhibitors of HIV-1 reverse transcriptase.
Bioorg.Med.Chem.Lett., 20, 2010
3LAM
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BU of 3lam by Molmil
Crystal structure of HIV-1 reverse transcriptase in complex with N1-propyl pyrimidinedione non-nucleoside inhibitor
分子名称: 3-methyl-5-{[5-(1-methylethyl)-2,6-dioxo-3-propyl-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}benzonitrile, HIV Reverse transcriptase, SULFATE ION
著者Lansdon, E.B, Mitchell, M.L.
登録日2010-01-06
公開日2010-02-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献N1-Alkyl pyrimidinediones as non-nucleoside inhibitors of HIV-1 reverse transcriptase.
Bioorg.Med.Chem.Lett., 20, 2010
3LAN
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BU of 3lan by Molmil
Crystal structure of HIV-1 reverse transcriptase in complex with N1-butyl pyrimidinedione non-nucleoside inhibitor
分子名称: 3-{[3-butyl-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}-5-methylbenzonitrile, HIV Reverse transcriptase, SULFATE ION
著者Lansdon, E.B, Mitchell, M.L.
登録日2010-01-06
公開日2010-02-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献N1-Alkyl pyrimidinediones as non-nucleoside inhibitors of HIV-1 reverse transcriptase.
Bioorg.Med.Chem.Lett., 20, 2010
7CM3
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BU of 7cm3 by Molmil
Cryo-EM structure of human NALCN in complex with FAM155A
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wu, J, Yan, Z, Ke, M.
登録日2020-07-24
公開日2020-11-11
最終更新日2020-12-02
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structure of the human sodium leak channel NALCN in complex with FAM155A.
Nat Commun, 11, 2020
3E6F
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BU of 3e6f by Molmil
MHC CLASS I H-2Dd Heavy chain complexed with Beta-2 Microglobulin and a variant peptide, PA9, from the Human immunodeficiency virus (BaL) envelope glycoprotein 120
分子名称: BETA-2 MICROGLOBULIN, Envelope glycoprotein 9-residue peptide, H-2 class I histocompatibility antigen, ...
著者Wang, R, Natarajan, K, Robinson, H, Margulies, D.H.
登録日2008-08-15
公開日2009-08-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Different vaccine vectors delivering the same antigen elicit CD8+ T cell responses with distinct clonotype and epitope specificity
J.Immunol., 183, 2009
3E6H
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BU of 3e6h by Molmil
MHC CLASS I H-2Dd heavy chain complexed with Beta-2 Microglobulin and a variant peptide, PI10, from the human immunodeficiency virus (BaL) envelope glycoprotein 120
分子名称: Envelope glycoprotein 10-residue peptide, H-2 class I histocompatibility antigen, D-D alpha chain, ...
著者Wang, R, Natarajan, K, Robinson, H, Margulies, D.H.
登録日2008-08-15
公開日2009-08-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Different vaccine vectors delivering the same antigen elicit CD8+ T cell responses with distinct clonotype and epitope specificity
J.Immunol., 183, 2009
6KKU
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BU of 6kku by Molmil
human KCC1 structure determined in NaCl and GDN
分子名称: 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Liu, S, Chang, S, Ye, S, Bai, X, Guo, J.
登録日2019-07-27
公開日2019-10-23
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM structures of the human cation-chloride cotransporter KCC1.
Science, 366, 2019
6KKT
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BU of 6kkt by Molmil
human KCC1 structure determined in KCl and lipid nanodisc
分子名称: 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Liu, S, Chang, S, Ye, S, Bai, X, Guo, J.
登録日2019-07-27
公開日2019-10-23
最終更新日2020-08-12
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Cryo-EM structures of the human cation-chloride cotransporter KCC1.
Science, 366, 2019
6KKR
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BU of 6kkr by Molmil
human KCC1 structure determined in KCl and detergent GDN
分子名称: 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Liu, S, Chang, S, Ye, S, Bai, X, Guo, J.
登録日2019-07-27
公開日2019-10-23
最終更新日2020-08-12
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Cryo-EM structures of the human cation-chloride cotransporter KCC1.
Science, 366, 2019
6M67
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BU of 6m67 by Molmil
The Cryo-EM Structure of Human Pannexin 1 with D376E/D379E Mutation
分子名称: Pannexin-1
著者Jin, Q, Bo, Z, Xiang, Z, Xiaokang, Z, Ye, S.
登録日2020-03-13
公開日2020-04-15
最終更新日2020-05-13
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Cryo-EM structures of human pannexin 1 channel.
Cell Res., 30, 2020
6M68
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BU of 6m68 by Molmil
The Cryo-EM Structure of Human Pannexin 1 in the Presence of CBX
分子名称: Pannexin-1
著者Jin, Q, Bo, Z, Xiang, Z, Xiaokang, Z, Ye, S.
登録日2020-03-13
公開日2020-04-15
最終更新日2020-05-13
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Cryo-EM structures of human pannexin 1 channel.
Cell Res., 30, 2020
6M66
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BU of 6m66 by Molmil
The Cryo-EM Structure of Human Pannexin 1
分子名称: Pannexin-1
著者Jin, Q, Bo, Z, Xiang, Z, Xiaokang, Z, Ye, S.
登録日2020-03-13
公開日2020-04-15
最終更新日2020-05-13
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Cryo-EM structures of human pannexin 1 channel.
Cell Res., 30, 2020
7XM2
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BU of 7xm2 by Molmil
Crystal structure of Keap1 Kelch domain (residues 322-609) in complex with NXPZ-2
分子名称: 2-[(4-aminophenyl)sulfonyl-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]amino]ethanamide, Kelch-like ECH-associated protein 1
著者Xu, K.
登録日2022-04-24
公開日2022-07-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystallography-Guided Optimizations of the Keap1-Nrf2 Inhibitors on the Solvent Exposed Region: From Symmetric to Asymmetric Naphthalenesulfonamides.
J.Med.Chem., 65, 2022
7XM4
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BU of 7xm4 by Molmil
Crystal structure of Keap1 Kelch domain (residues 322-609) in complex with 6e
分子名称: Kelch-like ECH-associated protein 1, N-[4-[(2-azanyl-2-oxidanylidene-ethyl)-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]sulfamoyl]phenyl]-2-(4-ethylpiperazin-1-yl)ethanamide
著者Xu, K.
登録日2022-04-24
公開日2022-07-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystallography-Guided Optimizations of the Keap1-Nrf2 Inhibitors on the Solvent Exposed Region: From Symmetric to Asymmetric Naphthalenesulfonamides.
J.Med.Chem., 65, 2022
7XM3
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BU of 7xm3 by Molmil
Crystal structure of Keap1 Kelch domain (residues 322-609) in complex with 6k
分子名称: Kelch-like ECH-associated protein 1, N-[4-[(2-azanyl-2-oxidanylidene-ethyl)-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]sulfamoyl]phenyl]-3-(4-ethylpiperazin-1-yl)propanamide
著者Xu, K.
登録日2022-04-24
公開日2022-07-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystallography-Guided Optimizations of the Keap1-Nrf2 Inhibitors on the Solvent Exposed Region: From Symmetric to Asymmetric Naphthalenesulfonamides.
J.Med.Chem., 65, 2022
7XM5
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BU of 7xm5 by Molmil
Keap1 Kelch domain (residues 322-609) in complex with 6i
分子名称: Kelch-like ECH-associated protein 1, N-[4-[(2-azanyl-2-oxidanylidene-ethyl)-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]sulfamoyl]phenyl]-3-morpholin-4-yl-propanamide
著者Xu, K.
登録日2022-04-24
公開日2022-07-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystallography-Guided Optimizations of the Keap1-Nrf2 Inhibitors on the Solvent Exposed Region: From Symmetric to Asymmetric Naphthalenesulfonamides.
J.Med.Chem., 65, 2022
6O7G
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BU of 6o7g by Molmil
Solution structure of MLL4 PHD6 domain in complex with histone H4K16ac peptide
分子名称: Histone H4, Histone-lysine N-methyltransferase 2D, ZINC ION
著者Zhang, Y, Kutateladze, T.G.
登録日2019-03-07
公開日2019-05-22
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Selective binding of the PHD6 finger of MLL4 to histone H4K16ac links MLL4 and MOF.
Nat Commun, 10, 2019
7KEF
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BU of 7kef by Molmil
RNA polymerase II elongation complex with unnatural base dTPT3, rNaM in swing state
分子名称: (1S)-1,4-anhydro-1-(3-methoxynaphthalen-2-yl)-5-O-phosphono-D-ribitol, DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, ...
著者Oh, J, Wang, D.
登録日2020-10-10
公開日2021-06-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.89 Å)
主引用文献Transcriptional processing of an unnatural base pair by eukaryotic RNA polymerase II.
Nat.Chem.Biol., 17, 2021
7KED
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BU of 7ked by Molmil
RNA polymerase II elongation complex with unnatural base dTPT3
分子名称: DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ...
著者Oh, J, Wang, W, Wang, D.
登録日2020-10-10
公開日2021-06-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Transcriptional processing of an unnatural base pair by eukaryotic RNA polymerase II.
Nat.Chem.Biol., 17, 2021
7KEE
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BU of 7kee by Molmil
RNA polymerase II elongation complex with unnatural base dTPT3, rNaMTP bound to E-site
分子名称: (1S)-1,4-anhydro-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-1-(3-methoxynaphthalen-2-yl)-D-ribitol, DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, ...
著者Oh, J, Wang, D.
登録日2020-10-10
公開日2021-06-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.45 Å)
主引用文献Transcriptional processing of an unnatural base pair by eukaryotic RNA polymerase II.
Nat.Chem.Biol., 17, 2021
7VQ1
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BU of 7vq1 by Molmil
Structure of Apo-hsTRPM2 channel
分子名称: Transient receptor potential cation channel subfamily M member 2
著者Yu, X.F, Xie, Y, Zhang, X.K, Ma, C, Guo, J.T, Yang, F, Yang, W.
登録日2021-10-18
公開日2021-12-22
実験手法ELECTRON MICROSCOPY (3.76 Å)
主引用文献Structural and functional basis of the selectivity filter as a gate in human TRPM2 channel.
Cell Rep, 37, 2021
7VQ2
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Structure of Apo-hsTRPM2 channel TM domain
分子名称: Transient receptor potential cation channel subfamily M member 2
著者Yu, X.F, Xie, Y, Zhang, X.K, Ma, C, Guo, J.T, Yang, F, Yang, W.
登録日2021-10-18
公開日2021-12-22
実験手法ELECTRON MICROSCOPY (3.68 Å)
主引用文献Structural and functional basis of the selectivity filter as a gate in human TRPM2 channel.
Cell Rep, 37, 2021

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