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5XVG
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BU of 5xvg by Molmil
Crystal Structure of PAK4 in complex with inhibitor CZH226
分子名称: 1,2-ETHANEDIOL, ETHANOL, Serine/threonine-protein kinase PAK 4, ...
著者Zhao, F, Li, H.
登録日2017-06-27
公開日2018-02-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Based Design of 6-Chloro-4-aminoquinazoline-2-carboxamide Derivatives as Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors.
J. Med. Chem., 61, 2018
5XVF
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BU of 5xvf by Molmil
Crystal Structure of PAK4 in complex with inhibitor CZH062
分子名称: 2-(4-azanylpiperidin-1-yl)-6-chloranyl-N-(1-methylimidazol-4-yl)quinazolin-4-amine, Serine/threonine-protein kinase PAK 4
著者Zhao, F, Li, H.
登録日2017-06-27
公開日2018-02-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.655 Å)
主引用文献Structure-Based Design of 6-Chloro-4-aminoquinazoline-2-carboxamide Derivatives as Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors.
J. Med. Chem., 61, 2018
8I3U
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BU of 8i3u by Molmil
Local CryoEM structure of the SARS-CoV-2 S6P in complex with 14B1 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Fab 14B1, Light chain of Fab 14B1, ...
著者Li, Z, Yu, F, Cao, S.
登録日2023-01-18
公開日2023-10-04
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Broadly neutralizing antibodies derived from the earliest COVID-19 convalescents protect mice from SARS-CoV-2 variants challenge.
Signal Transduct Target Ther, 8, 2023
8I3S
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BU of 8i3s by Molmil
Local CryoEM structure of the SARS-CoV-2 S6P in complex with 7B3 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain od Fab 7B3, Light chain of Fab 7B3, ...
著者Li, Z, Yu, F, Cao, S, ZHao, H.
登録日2023-01-17
公開日2023-10-04
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Broadly neutralizing antibodies derived from the earliest COVID-19 convalescents protect mice from SARS-CoV-2 variants challenge.
Signal Transduct Target Ther, 8, 2023
6DUB
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BU of 6dub by Molmil
Crystal structure of a methyltransferase
分子名称: Alpha N-terminal protein methyltransferase 1B, GLYCEROL, RCC1, ...
著者Dong, C, Tempel, W, Li, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2018-06-20
公開日2018-07-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献An asparagine/glycine switch governs product specificity of human N-terminal methyltransferase NTMT2.
Commun Biol, 1, 2018
5DHV
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BU of 5dhv by Molmil
HIV-1 Rev NTD dimers with variable crossing angles
分子名称: Anti-Rev Antibody Fab single-chain variable fragment, heavy chain, light chain, ...
著者DiMattia, M.A, Watts, N.R, Wingfield, P.T, Grimes, J.M, Stuart, D.I, Steven, A.C.
登録日2015-08-31
公開日2016-06-22
最終更新日2017-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Structure of HIV-1 Rev Filaments Suggests a Bilateral Model for Rev-RRE Assembly.
Structure, 24, 2016
5DHX
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BU of 5dhx by Molmil
HIV-1 Rev NTD dimers with variable crossing angles
分子名称: Anti-Rev Antibody Fab single-chain variable fragment, light chain,Anti-Rev Antibody Fab single-chain variable fragment, heavy chain, ...
著者DiMattia, M.A, Watts, N.R, Wingfield, P.T, Grimes, J.M, Stuart, D.I, Steven, A.C.
登録日2015-08-31
公開日2016-06-22
最終更新日2017-08-30
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The Structure of HIV-1 Rev Filaments Suggests a Bilateral Model for Rev-RRE Assembly.
Structure, 24, 2016
5DHY
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BU of 5dhy by Molmil
HIV-1 Rev NTD dimers with variable crossing angles
分子名称: Anti-Rev Antibody Fab single-chain variable fragment, heavy chain, light chain, ...
著者DiMattia, M.A, Watts, N.R, Wingfield, P.T, Grimes, J.M, Stuart, D.I, Steven, A.C.
登録日2015-08-31
公開日2016-06-22
最終更新日2017-08-30
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献The Structure of HIV-1 Rev Filaments Suggests a Bilateral Model for Rev-RRE Assembly.
Structure, 24, 2016
5DHZ
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BU of 5dhz by Molmil
HIV-1 Rev NTD dimers with variable crossing angles
分子名称: Anti-Rev Antibody Fab single-chain variable fragment, heavy chain, light chain, ...
著者DiMattia, M.A, Watts, N.R, Wingfield, P.T, Grimes, J.M, Stuart, D.I, Steven, A.C.
登録日2015-08-31
公開日2016-06-29
最終更新日2017-08-30
実験手法X-RAY DIFFRACTION (4.3 Å)
主引用文献The Structure of HIV-1 Rev Filaments Suggests a Bilateral Model for Rev-RRE Assembly.
Structure, 24, 2016
5E1M
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BU of 5e1m by Molmil
Crystal structure of NTMT1 in complex with PPKRIA peptide
分子名称: GLYCEROL, N-terminal Xaa-Pro-Lys N-methyltransferase 1, RCC1, ...
著者Dong, C, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2015-09-29
公開日2015-10-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural basis for substrate recognition by the human N-terminal methyltransferase 1.
Genes Dev., 29, 2015
5E2A
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BU of 5e2a by Molmil
Crystal structure of NTMT1 in complex with N-terminally methylated SPKRIA peptide
分子名称: GLYCEROL, N-terminal Xaa-Pro-Lys N-methyltransferase 1, RCC1, ...
著者Dong, C, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2015-09-30
公開日2015-10-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural basis for substrate recognition by the human N-terminal methyltransferase 1.
Genes Dev., 29, 2015
6NI3
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BU of 6ni3 by Molmil
B2V2R-Gs protein subcomplex of a GPCR-G protein-beta-arrestin mega-complex
分子名称: 8-[(1R)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one, Endolysin,Beta-2 adrenergic receptor chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Nguyen, A.H, Thomsen, A.R.B, Cahill, T.J, des Georges, A, Lefkowitz, R.J.
登録日2018-12-26
公開日2019-11-20
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structure of an endosomal signaling GPCR-G protein-beta-arrestin megacomplex.
Nat.Struct.Mol.Biol., 26, 2019
6NI2
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BU of 6ni2 by Molmil
Stabilized beta-arrestin 1-V2T subcomplex of a GPCR-G protein-beta-arrestin mega-complex
分子名称: Beta-arrestin-1, Fab30 Heavy Chain, Fab30 Light Chain, ...
著者Nguyen, A.H, Thomsen, A.R.B, Cahill, T.J, des Georges, A, Lefkowitz, R.J.
登録日2018-12-26
公開日2019-11-20
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structure of an endosomal signaling GPCR-G protein-beta-arrestin megacomplex.
Nat.Struct.Mol.Biol., 26, 2019
8G6U
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BU of 8g6u by Molmil
Cryo-EM structure of T/F100 SOSIP.664 HIV-1 Env trimer with LMHS mutations in complex with 8ANC195 and 10-1074
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, CRF-1_AE T/F100 HIV-1 gp41, ...
著者Chen, Y, Zhou, F, Huang, R, Tolbert, W, Pazgier, M.
登録日2023-02-16
公開日2023-11-08
実験手法ELECTRON MICROSCOPY (3.16 Å)
主引用文献Structure-function analyses reveal key molecular determinants of HIV-1 CRF01_AE resistance to the entry inhibitor temsavir.
Nat Commun, 14, 2023
6LB9
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BU of 6lb9 by Molmil
Magnesium ion-bound SspB crystal structure
分子名称: DUF4007 domain-containing protein, MAGNESIUM ION
著者Liqiong, L, Yubing, Z.
登録日2019-11-13
公開日2020-03-25
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.227 Å)
主引用文献SspABCD-SspE is a phosphorothioation-sensing bacterial defence system with broad anti-phage activities.
Nat Microbiol, 5, 2020
6M08
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BU of 6m08 by Molmil
Crystal structure of Lp-PLA2 in complex with a novel covalent inhibitor.
分子名称: (2S)-2-[(Z)-3-[2-(diethylamino)ethyl-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]amino]-1-oxidanyl-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid, Platelet-activating factor acetylhydrolase
著者Hu, H.C, Xu, Y.C.
登録日2020-02-20
公開日2020-12-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Identification of Highly Selective Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Inhibitors by a Covalent Fragment-Based Approach.
J.Med.Chem., 63, 2020
6M07
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BU of 6m07 by Molmil
Crystal structure of Lp-PLA2 in complex with a novel covalent inhibitor
分子名称: (2S)-2-[(E)-3-[2-(diethylamino)ethyl-[[4-[4-(trifluoromethyl)-2-[2,2,2-tris(fluoranyl)ethoxy]phenyl]phenyl]methyl]amino]-1-oxidanyl-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid, Platelet-activating factor acetylhydrolase
著者Hu, H.C, Xu, Y.C.
登録日2020-02-20
公開日2020-12-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Identification of Highly Selective Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Inhibitors by a Covalent Fragment-Based Approach.
J.Med.Chem., 63, 2020
6M06
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BU of 6m06 by Molmil
Crystal structure of Lp-PLA2 in complex with a novel covalent inhibitor
分子名称: (2S)-2-[(Z)-1,3-bis(oxidanyl)-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid, Platelet-activating factor acetylhydrolase
著者Hu, H.C, Xu, Y.C.
登録日2020-02-20
公開日2020-12-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Identification of Highly Selective Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Inhibitors by a Covalent Fragment-Based Approach.
J.Med.Chem., 63, 2020
8HOA
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BU of 8hoa by Molmil
ScRIPK mutant K124R
分子名称: (2R,5R)-hexane-2,5-diol, ADENOSINE-5'-TRIPHOSPHATE, FORMIC ACID, ...
著者Fang, J.L, Zhang, M.Q, Ming, Z.H.
登録日2022-12-09
公開日2023-10-18
実験手法X-RAY DIFFRACTION (1.676 Å)
主引用文献Receptor-like cytoplasmic kinase ScRIPK in sugarcane regulates disease resistance and drought tolerance in Arabidopsis.
Front Plant Sci, 14, 2023
8HO6
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BU of 8ho6 by Molmil
ScRIPK WT
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ScRIPK kinase protein
著者Fang, J.L, Zhang, M.Q.
登録日2022-12-09
公開日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Receptor-like cytoplasmic kinase ScRIPK in sugarcane regulates disease resistance and drought tolerance in Arabidopsis.
Front Plant Sci, 14, 2023
8HOD
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BU of 8hod by Molmil
ScRIPK MUTANT-S253A, T254A
分子名称: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, Hypothetical protein
著者Fang, J.L, Zhang, M.Q.
登録日2022-12-09
公開日2023-10-18
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Receptor-like cytoplasmic kinase ScRIPK in sugarcane regulates disease resistance and drought tolerance in Arabidopsis.
Front Plant Sci, 14, 2023
8FS1
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BU of 8fs1 by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor 11a (YD905)
分子名称: 1,2-ETHANEDIOL, 5'-S-{2-[N'-(cyclohexylmethyl)carbamimidamido]ethyl}-N-(3-phenylpropyl)-5'-thioadenosine, DNA (5'-D(*AP*TP*GP*GP*GP*AP*CP*TP*TP*TP*TP*TP*GP*A)-3'), ...
著者Zhou, J, Horton, J.R, Cheng, X.
登録日2023-01-09
公開日2023-05-10
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Comparative Study of Adenosine Analogs as Inhibitors of Protein Arginine Methyltransferases and a Clostridioides difficile- Specific DNA Adenine Methyltransferase.
Acs Chem.Biol., 18, 2023
8FS2
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BU of 8fs2 by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor 11b (YD907)
分子名称: 1,2-ETHANEDIOL, 5'-S-{3-[N'-(cyclohexylmethyl)carbamimidamido]propyl}-N-(3-phenylpropyl)-5'-thioadenosine, DNA (5'-D(*TP*TP*CP*AP*AP*AP*AP*AP*GP*TP*CP*CP*CP*A)-3'), ...
著者Zhou, J, Horton, J.R, Cheng, X.
登録日2023-01-09
公開日2023-05-10
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Comparative Study of Adenosine Analogs as Inhibitors of Protein Arginine Methyltransferases and a Clostridioides difficile- Specific DNA Adenine Methyltransferase.
Acs Chem.Biol., 18, 2023
8DFL
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BU of 8dfl by Molmil
Structure of human Kv1.3 with A0194009G09 nanobodies (alternate conformation)
分子名称: Nanobody A0194009G09, POTASSIUM ION, Potassium voltage-gated channel subfamily A member 3,Green fluorescent protein fusion
著者Meyerson, J.R, Selvakumar, P.
登録日2022-06-22
公開日2022-07-13
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.25 Å)
主引用文献Structures of the T cell potassium channel Kv1.3 with immunoglobulin modulators.
Nat Commun, 13, 2022
7KPU
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Crystal structure of human NatD (NAA40) bound to a bisubstrate analogue with a C-3 linker
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETYL GROUP, AMINO GROUP, ...
著者Deng, S, Marmorstein, R.
登録日2020-11-12
公開日2021-06-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Novel Bisubstrate Inhibitors for Protein N-Terminal Acetyltransferase D.
J.Med.Chem., 64, 2021

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件を2024-07-10に公開中

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