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6C45
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BU of 6c45 by Molmil
Crystal structure of human inorganic pyrophosphatase in the P212121 space group
分子名称: Inorganic pyrophosphatase
著者Niu, H, Zhu, J, Huang, X, Du, Z.
登録日2018-01-11
公開日2019-01-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.388 Å)
主引用文献Expression, purification and crystallization of the human protein PPA1
To be Published
7MXD
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BU of 7mxd by Molmil
Cryo-EM structure of broadly neutralizing V2-apex-targeting antibody J038 in complex with HIV-1 Env
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3BNC117 antibody heavy chain, ...
著者Zhou, T, Gao, F.
登録日2021-05-19
公開日2022-03-30
最終更新日2022-06-22
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Development of Neutralization Breadth against Diverse HIV-1 by Increasing Ab-Ag Interface on V2.
Adv Sci, 9, 2022
7N28
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BU of 7n28 by Molmil
Cryo-EM structure of broadly neutralizing V2-apex-targeting antibody J033 in complex with HIV-1 Env
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3BNC117 antibody heavy chain, ...
著者Zhou, T, Gao, F.
登録日2021-05-28
公開日2022-04-06
最終更新日2022-06-22
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Development of Neutralization Breadth against Diverse HIV-1 by Increasing Ab-Ag Interface on V2.
Adv Sci, 9, 2022
6L8O
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BU of 6l8o by Molmil
Crystal structure of the K. lactis Rad5 (Hg-derivative)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA repair protein RAD5, MERCURY (II) ION
著者Shen, M, Xiang, S.
登録日2019-11-06
公開日2020-11-11
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structural basis for the multi-activity factor Rad5 in replication stress tolerance.
Nat Commun, 12, 2021
6L8N
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BU of 6l8n by Molmil
Crystal structure of the K. lactis Rad5
分子名称: DNA repair protein RAD5, ZINC ION
著者Shen, M, Xiang, S.
登録日2019-11-06
公開日2020-11-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Structural basis for the multi-activity factor Rad5 in replication stress tolerance.
Nat Commun, 12, 2021
7Q6T
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BU of 7q6t by Molmil
Crystal structure of the bromodomain of ATAD2 with AZ13824374
分子名称: (1R,9S,12R)-13-[[8-[[1-(2-fluoranyl-2-methyl-propyl)piperidin-4-yl]amino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]carbonyl]-12-propan-2-yl-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one, ATPase family AAA domain-containing protein 2, SULFATE ION
著者Patel, S.J, Winter-Holt, J.J.
登録日2021-11-09
公開日2022-01-19
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Discovery of a Potent and Selective ATAD2 Bromodomain Inhibitor with Antiproliferative Activity in Breast Cancer Models.
J.Med.Chem., 65, 2022
7Q6W
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BU of 7q6w by Molmil
Crystal structure of the bromodomain of ATAD2 with triazolopyridazine (cpd 22)
分子名称: (1R,9S)-13-[[3-methyl-8-[(1-methylpiperidin-4-yl)amino]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]carbonyl]-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one, ATPase family AAA domain-containing protein 2, SULFATE ION
著者Patel, S.J, Winter-Holt, J.J.
登録日2021-11-09
公開日2022-01-19
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Discovery of a Potent and Selective ATAD2 Bromodomain Inhibitor with Antiproliferative Activity in Breast Cancer Models.
J.Med.Chem., 65, 2022
7Q6U
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BU of 7q6u by Molmil
Crystal structure of the bromodomain of ATAD2 with phenol HTS hit (cpd 6)
分子名称: (1R,9S)-13-(3,5-dimethoxy-4-oxidanyl-phenyl)carbonyl-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one, ATPase family AAA domain-containing protein 2, SULFATE ION
著者Patel, S.J, Winter-Holt, J.J.
登録日2021-11-09
公開日2022-01-19
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery of a Potent and Selective ATAD2 Bromodomain Inhibitor with Antiproliferative Activity in Breast Cancer Models.
J.Med.Chem., 65, 2022
7Q6V
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BU of 7q6v by Molmil
Crystal structure of the bromodomain of ATAD2 with triazolopyridine (cpd 14)
分子名称: (1R,9S)-13-[(8-azanyl-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)carbonyl]-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one, ATPase family AAA domain-containing protein 2, SULFATE ION
著者Patel, S.J, Winter-Holt, J.J.
登録日2021-11-09
公開日2022-01-19
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Discovery of a Potent and Selective ATAD2 Bromodomain Inhibitor with Antiproliferative Activity in Breast Cancer Models.
J.Med.Chem., 65, 2022
7KRD
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BU of 7krd by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 4-(3-chloro-5-cyanophenoxy)-3-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenyl sulfurofluoridate (JLJ702)
分子名称: 4-(3-chloro-5-cyanophenoxy)-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate, HIV-1 REVERSE TRANSCRIPTASE, P51 SUBUNIT, ...
著者Bertoletti, N, Ippolito, J.A, Jorgensen, W.L, Anderson, K.S.
登録日2020-11-19
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Covalent Inhibition of Wild-Type HIV-1 Reverse Transcriptase Using a Fluorosulfate Warhead.
Acs Med.Chem.Lett., 12, 2021
7KRE
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BU of 7kre by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 4-((6-cyanonaphthalen-1-yl)oxy)-3-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenyl sulfurofluoridate (JLJ704)
分子名称: 4-[(6-cyanonaphthalen-1-yl)oxy]-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate, HIV-1 REVERSE TRANSCRIPTASE, P51 SUBUNIT, ...
著者Bertoletti, N, Ippolito, J.A, Jorgensen, W.L, Anderson, K.S.
登録日2020-11-19
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.728 Å)
主引用文献Covalent Inhibition of Wild-Type HIV-1 Reverse Transcriptase Using a Fluorosulfate Warhead.
Acs Med.Chem.Lett., 12, 2021
7KRC
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BU of 7krc by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with (E)-4-(3-chloro-5-(2-cyanovinyl)phenoxy)-3-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenyl sulfurofluoridate (JLJ709)
分子名称: 4-{3-chloro-5-[(E)-2-cyanoethenyl]phenoxy}-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate, HIV-1 REVERSE TRANSCRIPTASE, P51 SUBUNIT, ...
著者Bertoletti, N, Ippolito, J.A, Jorgensen, W.L, Anderson, K.S.
登録日2020-11-19
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Covalent Inhibition of Wild-Type HIV-1 Reverse Transcriptase Using a Fluorosulfate Warhead.
Acs Med.Chem.Lett., 12, 2021
7KRF
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BU of 7krf by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with (E)-4-(3-(2-cyanovinyl)-5-fluorophenoxy)-3-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenyl sulfurofluoridate (JLJ710)
分子名称: 4-{3-[(E)-2-cyanoethenyl]-5-fluorophenoxy}-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate, HIV-1 REVERSE TRANSCRIPTASE, P51 SUBUNIT, ...
著者Bertoletti, N, Ippolito, J.A, Jorgensen, W.L, Anderson, K.S.
登録日2020-11-19
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Covalent Inhibition of Wild-Type HIV-1 Reverse Transcriptase Using a Fluorosulfate Warhead.
Acs Med.Chem.Lett., 12, 2021
7YFX
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BU of 7yfx by Molmil
Cryo-EM structure of Hili in complex with piRNA
分子名称: MAGNESIUM ION, Piwi-like protein 2, piRNA
著者Li, Z.Q, Liu, H.B, Wu, J.P, Shen, E.Z.
登録日2022-07-09
公開日2024-01-24
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Mammalian PIWI-piRNA-target complexes reveal features for broad and efficient target silencing.
Nat.Struct.Mol.Biol., 2024
7YG6
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BU of 7yg6 by Molmil
Cryo-EM structure of the EfPiwi(N959K) in complex with piRNA
分子名称: MAGNESIUM ION, Piwi, piRNA
著者Li, Z.Q, Liu, H.B, Wu, J.P, Shen, E.Z.
登録日2022-07-11
公開日2024-01-24
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Mammalian PIWI-piRNA-target complexes reveal features for broad and efficient target silencing.
Nat.Struct.Mol.Biol., 2024
7YFY
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BU of 7yfy by Molmil
Cryo-EM structure of the Mili-piRNA- target ternary complex
分子名称: MAGNESIUM ION, Piwi-like protein 2, RNA (5'-R(P*CP*CP*AP*UP*GP*UP*UP*GP*AP*UP*GP*GP*UP*AP*A)-3'), ...
著者Li, Z.Q, Liu, H.B, Wu, J.P, Shen, E.Z.
登録日2022-07-09
公開日2024-01-24
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Mammalian PIWI-piRNA-target complexes reveal features for broad and efficient target silencing.
Nat.Struct.Mol.Biol., 2024
7YGN
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BU of 7ygn by Molmil
Cryo-EM structure of the Mili in complex with piRNA
分子名称: MAGNESIUM ION, Piwi-like protein 2, piRNA
著者Li, Z.Q, Liu, H.B, Wu, J.P, Shen, E.Z.
登録日2022-07-11
公開日2024-01-24
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Mammalian PIWI-piRNA-target complexes reveal features for broad and efficient target silencing.
Nat.Struct.Mol.Biol., 2024
7YFQ
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BU of 7yfq by Molmil
Cryo-EM structure of the EfPiwi (N959K)-piRNA-target ternary complex
分子名称: MAGNESIUM ION, Piwi, RNA (5'-R(*UP*CP*CP*AP*UP*GP*UP*UP*GP*AP*UP*GP*GP*UP*AP*A)-3'), ...
著者Li, Z.Q, Liu, H.B, Wu, J.P, Shen, E.Z.
登録日2022-07-08
公開日2024-02-14
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Mammalian PIWI-piRNA-target complexes reveal features for broad and efficient target silencing.
Nat.Struct.Mol.Biol., 2024
7XSV
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BU of 7xsv by Molmil
Crystal Structures of PIM1 in Complex with Macrocyclic Compound H3
分子名称: 8-Methyl-2,5,20-trioxa-8,13,17-triazatetracyclo[11.10.2.014,19.021,25]pentacosa-1(24),14(19),15,17,21(25),22-hexaene, Serine/threonine-protein kinase pim-1
著者Shen, C, Xie, Y, Ren, X, Zhou, Y, Niu, H.
登録日2022-05-15
公開日2022-07-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Design, synthesis, and bioactivity evaluation of macrocyclic benzo[b]pyrido[4,3-e][1,4]oxazine derivatives as novel Pim-1 kinase inhibitors.
Bioorg.Med.Chem.Lett., 72, 2022

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