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3SUQ
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BU of 3suq by Molmil
RB69 DNA Polymerase (Y567A) Ternary Complex with dCTP Opposite 2AP (AT rich sequence)
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 5'-D(*AP*AP*TP*TP*AP*AP*TP*TP*AP*AP*TP*TP*(2DA))-3', 5'-D(P*CP*(2PR)P*TP*AP*AP*TP*TP*AP*AP*TP*TP*AP*AP*TP*TP*G)-3', ...
著者Xia, S, Konigsberg, W.H, Wang, J.
登録日2011-07-11
公開日2011-11-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Structure of the 2-Aminopurine-Cytosine Base Pair Formed in the Polymerase Active Site of the RB69 Y567A-DNA Polymerase.
Biochemistry, 50, 2011
8E7B
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BU of 8e7b by Molmil
Crystal structure of the p53 (Y107H) core domain monoclinic P form
分子名称: Cellular tumor antigen p53, ZINC ION
著者Lovell, S, Liu, L, Battaile, K.P, Miller, S, Karanicolas, J.
登録日2022-08-23
公開日2023-05-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献An African-Specific Variant of TP53 Reveals PADI4 as a Regulator of p53-Mediated Tumor Suppression.
Cancer Discov, 13, 2023
8E7A
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BU of 8e7a by Molmil
Crystal structure of the p53 (Y107H) core domain orthorhombic P form
分子名称: Cellular tumor antigen p53, ZINC ION
著者Lovell, S, Liu, L, Battaile, K.P, Miller, S, Karanicolas, J.
登録日2022-08-23
公開日2023-05-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献An African-Specific Variant of TP53 Reveals PADI4 as a Regulator of p53-Mediated Tumor Suppression.
Cancer Discov, 13, 2023
6VBN
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BU of 6vbn by Molmil
Crystal Structure of hTDO2 bound to inhibitor GNE1
分子名称: 1,5-anhydro-2,3-dideoxy-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-D-threo-pentitol, PROTOPORPHYRIN IX CONTAINING FE, Tryptophan 2,3-dioxygenase
著者Harris, S.F, Oh, A.
登録日2019-12-19
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.18 Å)
主引用文献Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors.
Acs Med.Chem.Lett., 11, 2020
2LN0
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BU of 2ln0 by Molmil
Structure of MOZ
分子名称: Histone acetyltransferase KAT6A, ZINC ION
著者Qiu, Y.
登録日2011-12-15
公開日2012-06-27
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Combinatorial readout of unmodified H3R2 and acetylated H3K14 by the tandem PHD finger of MOZ reveals a regulatory mechanism for HOXA9 transcription.
Genes Dev., 26, 2012
4O33
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BU of 4o33 by Molmil
Crystal Structure of human PGK1 3PG and terazosin(TZN) ternary complex
分子名称: 3-PHOSPHOGLYCERIC ACID, Phosphoglycerate kinase 1, [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl][(2R)-tetrahydrofuran-2-yl]methanone
著者Li, X.L, Finci, L.I, Wang, J.H.
登録日2013-12-18
公開日2014-10-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Terazosin activates Pgk1 and Hsp90 to promote stress resistance.
Nat.Chem.Biol., 11, 2015
7Y6D
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BU of 7y6d by Molmil
Cryo-EM structure of SARS-CoV-2 Delta variant spike proteins on intact virions: 3 Closed RBD
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, Spike glycoprotein
著者Xu, J, Song, Y, Li, S.
登録日2022-06-20
公開日2023-06-07
実験手法ELECTRON MICROSCOPY (4.39 Å)
主引用文献In situ architecture and membrane fusion of SARS-CoV-2 Delta variant.
Proc.Natl.Acad.Sci.USA, 120, 2023
4O3F
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BU of 4o3f by Molmil
Crystal Structure of mouse PGK1 3PG and terazosin(TZN) ternary complex
分子名称: 3-PHOSPHOGLYCERIC ACID, Phosphoglycerate kinase 1, [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl][(2R)-tetrahydrofuran-2-yl]methanone
著者Li, X.L, Finci, I.L, Wang, J.H.
登録日2013-12-18
公開日2014-10-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.106 Å)
主引用文献Terazosin activates Pgk1 and Hsp90 to promote stress resistance.
Nat.Chem.Biol., 11, 2015
2NCZ
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BU of 2ncz by Molmil
Solution NMR structures of BRD4 ET domain in complex with NSD3_1 peptide
分子名称: Bromodomain-containing protein 4, Histone-lysine N-methyltransferase NSD3
著者Zeng, L, Zhou, M.
登録日2016-04-18
公開日2016-06-29
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structural Mechanism of Transcriptional Regulator NSD3 Recognition by the ET Domain of BRD4.
Structure, 24, 2016
2ND1
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BU of 2nd1 by Molmil
Solution NMR structures of BRD4 ET domain in complex with NSD3_3 peptide
分子名称: Bromodomain-containing protein 4, Histone-lysine N-methyltransferase NSD3
著者Zeng, L, Zhou, M.
登録日2016-04-19
公開日2016-06-29
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structural Mechanism of Transcriptional Regulator NSD3 Recognition by the ET Domain of BRD4.
Structure, 24, 2016
2ND0
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BU of 2nd0 by Molmil
Solution NMR structures of BRD4 ET domain with LANA peptide
分子名称: Bromodomain-containing protein 4, LANA
著者Zeng, L, Zhou, M.
登録日2016-04-18
公開日2016-06-29
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structural Mechanism of Transcriptional Regulator NSD3 Recognition by the ET Domain of BRD4.
Structure, 24, 2016
5VYC
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BU of 5vyc by Molmil
Crystal structure of the human 40S ribosomal subunit in complex with DENR-MCT-1.
分子名称: 40S ribosomal protein S10, 40S ribosomal protein S11, 40S ribosomal protein S12, ...
著者Lomakin, I.B, Stolboushkina, E.A, Vaidya, A.T, Garber, M.B, Dmitriev, S.E, Steitz, T.A.
登録日2017-05-24
公開日2017-07-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (6 Å)
主引用文献Crystal Structure of the Human Ribosome in Complex with DENR-MCT-1.
Cell Rep, 20, 2017
5JR2
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BU of 5jr2 by Molmil
Crystal structure of the EphA4 LBD in complex with APYd3 peptide inhibitor
分子名称: APYd3 peptide, Ephrin type-A receptor 4, GLYCEROL, ...
著者Lechtenberg, B.C, Olson, E.J, Pasquale, E.B, Dawson, P.E, Riedl, S.J.
登録日2016-05-05
公開日2016-07-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Modifications of a Nanomolar Cyclic Peptide Antagonist for the EphA4 Receptor To Achieve High Plasma Stability.
Acs Med.Chem.Lett., 7, 2016
7BRP
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BU of 7brp by Molmil
Crystal structure of the 2019-nCoV main protease complexed with Boceprevir
分子名称: 3C-like proteinase, boceprevir (bound form)
著者Fu, L.F.
登録日2020-03-29
公開日2020-05-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Both Boceprevir and GC376 efficaciously inhibit SARS-CoV-2 by targeting its main protease.
Nat Commun, 11, 2020
7BRO
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BU of 7bro by Molmil
Crystal structure of the 2019-nCoV main protease
分子名称: 3C-like proteinase
著者Fu, L.F.
登録日2020-03-29
公開日2020-05-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Both Boceprevir and GC376 efficaciously inhibit SARS-CoV-2 by targeting its main protease.
Nat Commun, 11, 2020
3NGO
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BU of 3ngo by Molmil
Crystal structure of the human CNOT6L nuclease domain in complex with poly(A) DNA
分子名称: 5'-D(*AP*AP*AP*A)-3', CCR4-NOT transcription complex subunit 6-like, MAGNESIUM ION
著者Wang, H, Morita, M, Yang, W, Bartlam, M, Yamamoto, T, Rao, Z.
登録日2010-06-12
公開日2010-07-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of the human CNOT6L nuclease domain reveals strict poly(A) substrate specificity.
Embo J., 2010
3NGQ
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BU of 3ngq by Molmil
Crystal structure of the human CNOT6L nuclease domain
分子名称: 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, CCR4-NOT transcription complex subunit 6-like, MAGNESIUM ION
著者Wang, H, Morita, M, Yang, W, Bartlam, M, Yamamoto, T, Rao, Z.
登録日2010-06-13
公開日2010-07-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of the human CNOT6L nuclease domain reveals strict poly(A) substrate specificity.
Embo J., 2010
3NGN
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BU of 3ngn by Molmil
Crystal structure of the human CNOT6L nuclease domain in complex with AMP
分子名称: ADENOSINE MONOPHOSPHATE, CCR4-NOT transcription complex subunit 6-like
著者Wang, H, Morita, M, Yang, W, Bartlam, M, Yamamoto, T, Rao, Z.
登録日2010-06-12
公開日2010-07-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of the human CNOT6L nuclease domain reveals strict poly(A) substrate specificity.
Embo J., 2010
5ZUG
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BU of 5zug by Molmil
Structure of the bacterial acetate channel SatP
分子名称: Succinate-acetate/proton symporter SatP, nonyl beta-D-glucopyranoside
著者Sun, P.C, Li, J.L, Xiao, Q.J, Guan, Z.Y, Deng, D.
登録日2018-05-07
公開日2018-11-21
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.802 Å)
主引用文献Crystal structure of the bacterial acetate transporter SatP reveals that it forms a hexameric channel.
J. Biol. Chem., 293, 2018
3DJU
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BU of 3dju by Molmil
Crystal structure of human BTG2
分子名称: Protein BTG2
著者Yang, X, Morita, M, Wang, H, Suzuki, T, Bartlam, M, Yamamoto, T.
登録日2008-06-24
公開日2008-11-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Crystal structures of human BTG2 and mouse TIS21 involved in suppression of CAF1 deadenylase activity
Nucleic Acids Res., 36, 2008
3DJN
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BU of 3djn by Molmil
Crystal structure of mouse TIS21
分子名称: Protein BTG2
著者Yang, X, Morita, M, Wang, H, Suzuki, T, Bartlam, M, Yamamoto, T.
登録日2008-06-24
公開日2008-11-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of human BTG2 and mouse TIS21 involved in suppression of CAF1 deadenylase activity
Nucleic Acids Res., 36, 2008
8UN4
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BU of 8un4 by Molmil
KRAS-G13D-GDP in complex with Cpd36 ((E)-1-((3S)-4-(7-(6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl)-6-chloro-8-fluoro-2-(((S)-2-methylenetetrahydro-1H-pyrrolizin-7a(5H)-yl)methoxy)quinazolin-4-yl)-3-methylpiperazin-1-yl)-3-(4-((dimethylamino)methyl)-5-methylpyridin-2-yl)prop-2-en-1-one)
分子名称: (2E)-1-{(3S)-4-[(7M)-7-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-8-fluoro-2-{[(4R,7aS)-2-methylidenetetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-4-yl]-3-methylpiperazin-1-yl}-3-{4-[(dimethylamino)methyl]-5-methylpyridin-2-yl}prop-2-en-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Ultsch, M.H.
登録日2023-10-18
公開日2023-12-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Structure-Based Design and Evaluation of Reversible KRAS G13D Inhibitors.
Acs Med.Chem.Lett., 15, 2024
1PRO
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BU of 1pro by Molmil
HIV-1 PROTEASE DIMER COMPLEXED WITH A-98881
分子名称: (5R,6R)-2,4-BIS-(4-HYDROXY-3-METHOXYBENZYL)-1,5-DIBENZYL-3-OXO-6-HYDROXY-1,2,4-TRIAZACYCLOHEPTANE, HIV-1 PROTEASE
著者Park, C.H, Kong, X.P, Dealwis, C.G.
登録日1995-07-18
公開日1996-08-17
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A novel, picomolar inhibitor of human immunodeficiency virus type 1 protease.
J.Med.Chem., 39, 1996
3R66
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BU of 3r66 by Molmil
Crystal structure of human ISG15 in complex with NS1 N-terminal region from influenza virus B, Northeast Structural Genomics Consortium Target IDs HX6481, HR2873, and OR2
分子名称: Non-structural protein 1, Ubiquitin-like protein ISG15
著者Guan, R, Ma, L.C, Krug, R.M, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2011-03-21
公開日2011-06-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Structure of the complex of ISG15 and Influenza B virus NS1 Protein: implications for the mechanism of SN1-mediated inhibition of ISG15 conjugation
To be Published
3SDL
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BU of 3sdl by Molmil
Crystal structure of human ISG15 in complex with NS1 N-terminal region from influenza B virus, Northeast Structural Genomics Consortium Target IDs HX6481, HR2873, and OR2
分子名称: Non-structural protein 1, Ubiquitin-like protein ISG15
著者Guan, R, Ma, L.-C, Krug, R.M, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2011-06-09
公開日2011-07-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Structural basis for the sequence-specific recognition of human ISG15 by the NS1 protein of influenza B virus.
Proc.Natl.Acad.Sci.USA, 108, 2011

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