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2P4I
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BU of 2p4i by Molmil
Evolution of a highly Selective and Potent 2-(Pyridin-2-yl)-1,3,5-triazine Tie-2 Kinase Inhibitor
分子名称: 4-METHYL-3-({3-[2-(METHYLAMINO)PYRIMIDIN-4-YL]PYRIDIN-2-YL}OXY)-N-[2-MORPHOLIN-4-YL-5-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE, Angiopoietin-1 receptor
著者Bellon, S.F.
登録日2007-03-12
公開日2007-03-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Evolution of a highly selective and potent 2-(pyridin-2-yl)-1,3,5-triazine Tie-2 kinase inhibitor.
J.Med.Chem., 50, 2007
5YEU
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BU of 5yeu by Molmil
Structural and mechanistic analyses reveal a unique Cas4-like protein in the mimivirus virophage resistance element system
分子名称: MAGNESIUM ION, Uncharacterized protein R354
著者Dou, C, Yu, M.J, Gu, Y.J, Cheng, W.
登録日2017-09-19
公開日2018-07-25
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.001 Å)
主引用文献Structural and Mechanistic Analyses Reveal a Unique Cas4-like Protein in the Mimivirus Virophage Resistance Element System.
Iscience, 3, 2018
5YET
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BU of 5yet by Molmil
Structure of R354_WT
分子名称: Uncharacterized protein R354
著者Dou, C, Yu, M.J, Gu, Y.J, Cheng, W.
登録日2017-09-19
公開日2018-06-20
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.806 Å)
主引用文献Structural and Mechanistic Analyses Reveal a Unique Cas4-like Protein in the Mimivirus Virophage Resistance Element System.
Iscience, 3, 2018
2OFV
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BU of 2ofv by Molmil
crystal structure of aminoquinazoline 1 bound to Lck
分子名称: 3-(2-AMINOQUINAZOLIN-6-YL)-4-METHYL-N-[3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE, Proto-oncogene tyrosine-protein kinase LCK
著者Huang, X.
登録日2007-01-04
公開日2007-02-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of Aminoquinazolines as Potent, Orally Bioavailable Inhibitors of Lck: Synthesis, SAR, and in Vivo Anti-Inflammatory Activity
J.Med.Chem., 49, 2006
2OG8
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BU of 2og8 by Molmil
crystal structure of aminoquinazoline 36 bound to Lck
分子名称: N-{2-[(N,N-DIETHYLGLYCYL)AMINO]-5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-3-[2-(METHYLAMINO)QUINAZOLIN-6-YL]BENZAMIDE, Proto-oncogene tyrosine-protein kinase LCK
著者Huang, X.
登録日2007-01-05
公開日2007-02-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of Aminoquinazolines as Potent, Orally Bioavailable Inhibitors of Lck: Synthesis, SAR, and in Vivo Anti-Inflammatory Activity
J.Med.Chem., 49, 2006
2OO8
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BU of 2oo8 by Molmil
Synthesis, Structural Analysis, and SAR Studies of Triazine Derivatives as Potent, Selective Tie-2 Inhibitors
分子名称: Angiopoietin-1 receptor, N-{3-[3-(DIMETHYLAMINO)PROPYL]-5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]BENZAMIDE
著者Bellon, S.F, Kim, J.
登録日2007-01-25
公開日2007-03-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Synthesis, structural analysis, and SAR studies of triazine derivatives as potent, selective Tie-2 inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
6KI3
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BU of 6ki3 by Molmil
The crystal structure of AsfvAP:dF commplex
分子名称: DNA (5'-D(*CP*CP*TP*CP*GP*TP*CP*GP*GP*GP*GP*AP*CP*GP*CP*TP*G)-3'), DNA (5'-D(*GP*CP*AP*GP*CP*GP*TP*CP*C)-3'), DNA (5'-D(P*(3DR)P*CP*GP*AP*CP*GP*AP*G)-3'), ...
著者Chen, Y, Gan, J.
登録日2019-07-17
公開日2020-05-27
実験手法X-RAY DIFFRACTION (2.354 Å)
主引用文献A unique DNA-binding mode of African swine fever virus AP endonuclease.
Cell Discov, 6, 2020
3BYU
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BU of 3byu by Molmil
co-crystal structure of Lck and aminopyrimidine reverse amide 23
分子名称: 2-methyl-N-{4-methyl-3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)carbamoyl]phenyl}-3-(trifluoromethyl)benzamide, Proto-oncogene tyrosine-protein kinase LCK
著者Huang, X.
登録日2008-01-16
公開日2008-09-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-guided design of aminopyrimidine amides as potent, selective inhibitors of lymphocyte specific kinase: synthesis, structure-activity relationships, and inhibition of in vivo T cell activation.
J.Med.Chem., 51, 2008
3BYS
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BU of 3bys by Molmil
co-crystal structure of Lck and aminopyrimidine amide 10b
分子名称: 4-methyl-N~3~-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)-N~1~-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide, Proto-oncogene tyrosine-protein kinase LCK
著者Huang, X.
登録日2008-01-16
公開日2008-09-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-guided design of aminopyrimidine amides as potent, selective inhibitors of lymphocyte specific kinase: synthesis, structure-activity relationships, and inhibition of in vivo T cell activation.
J.Med.Chem., 51, 2008
6KHY
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BU of 6khy by Molmil
The crystal structure of AsfvAP:AG
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DNA (AGCGTCACCGACGAGGC), DNA(AGCGTCACCGACGAGG), ...
著者Chen, Y.Q, Gan, J.H.
登録日2019-07-16
公開日2020-06-03
実験手法X-RAY DIFFRACTION (3.008 Å)
主引用文献A unique DNA-binding mode of African swine fever virus AP endonuclease.
Cell Discov, 6, 2020
7FJ3
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BU of 7fj3 by Molmil
Cryo-EM structure of PRV A-capid
分子名称: Major capsid protein, Small capsomere-interacting protein, Triplex capsid protein 1, ...
著者Zheng, Q, Li, S, Zha, Z, Sun, H.
登録日2021-08-02
公開日2022-06-22
実験手法ELECTRON MICROSCOPY (4.53 Å)
主引用文献Structures of pseudorabies virus capsids.
Nat Commun, 13, 2022
7FJ1
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BU of 7fj1 by Molmil
Cryo-EM structure of pseudorabies virus C-capsid
分子名称: Capsid vertex component 1, DNA packaging tegument protein UL25, Major capsid protein, ...
著者Zheng, Q, Li, S, Zha, Z, Sun, H.
登録日2021-08-02
公開日2022-06-22
実験手法ELECTRON MICROSCOPY (4.43 Å)
主引用文献Structures of pseudorabies virus capsids.
Nat Commun, 13, 2022
6MQC
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BU of 6mqc by Molmil
Vaccine-elicited NHP FP-targeting neutralizing antibody 0PV-c.01 in complex with FP (residue 512-519)
分子名称: 0PV-C.01 antibody Fab heavy chain, 0PV-C.01 antibody Fab light chain, HIV fusion peptide residue 512-519
著者Xu, K, Wang, Y, Kwong, P.D.
登録日2018-10-09
公開日2019-07-31
最終更新日2019-11-13
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Antibody Lineages with Vaccine-Induced Antigen-Binding Hotspots Develop Broad HIV Neutralization.
Cell, 178, 2019
6MQM
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BU of 6mqm by Molmil
Vaccine-elicited NHP FP-targeting neutralizing antibody DF1W-a.01 in complex with HIV fusion peptide (residue 512-519)
分子名称: HIV Env fusion peptide residue 512-519, antibody Fab heavy chain, antibody Fab light chain
著者Xu, K, Wang, Y, Kwong, P.D.
登録日2018-10-10
公開日2019-07-31
最終更新日2019-11-13
実験手法X-RAY DIFFRACTION (3.484 Å)
主引用文献Antibody Lineages with Vaccine-Induced Antigen-Binding Hotspots Develop Broad HIV Neutralization.
Cell, 178, 2019
6MQR
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BU of 6mqr by Molmil
Vaccine-elicited NHP FP-targeting neutralizing antibody 0PV-a.01 in complex with FP (residue 512-519)
分子名称: CALCIUM ION, HIV fusion peptide residue 512-519, SULFATE ION, ...
著者Xu, K, Wang, Y, Kwong, P.D.
登録日2018-10-10
公開日2019-07-31
最終更新日2019-11-13
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Antibody Lineages with Vaccine-Induced Antigen-Binding Hotspots Develop Broad HIV Neutralization.
Cell, 178, 2019
6N16
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BU of 6n16 by Molmil
Vaccine-elicited NHP FP-targeting neutralizing antibody 0PV-b.01 in complex with HIV fusion peptide (residue 512-519)
分子名称: HIV fusion peptide (512-519), antibody 0PV-b.01 Fab heavy chain, antibody 0PV-b.01 Fab light chain
著者Xu, K, Wang, Y, Kwong, P.D.
登録日2018-11-08
公開日2019-07-31
最終更新日2019-11-13
実験手法X-RAY DIFFRACTION (2.302 Å)
主引用文献Antibody Lineages with Vaccine-Induced Antigen-Binding Hotspots Develop Broad HIV Neutralization.
Cell, 178, 2019
6MQE
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BU of 6mqe by Molmil
Vaccine-elicited NHP FP-targeting HIV neutralizing antibody DFPH-a.15 in complex with HIV fusion peptide (residue 512-519)
分子名称: DFPHa.15 antibody Fab heavy chain, DFPHa.15 antibody Fab light chain, HIV fusion peptide
著者Xu, K, Wang, Y, Kwong, P.D.
登録日2018-10-09
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.459 Å)
主引用文献Antibody Lineages with Vaccine-Induced Antigen-Binding Hotspots Develop Broad HIV Neutralization.
Cell, 178, 2019
6MQS
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BU of 6mqs by Molmil
Vaccine-elicited NHP FP-targeting HIV neutralizing antibody A12V163-a.01 in complex with HIV fusion peptide (residue 512-519)
分子名称: HIV fusion peptide residue 512-519, antibody A12V163-a.01 heavy chain, antibody A12V163-a.01 light chain
著者Xu, K, Wang, Y, Kwong, P.D.
登録日2018-10-10
公開日2019-07-31
最終更新日2019-11-13
実験手法X-RAY DIFFRACTION (2.997 Å)
主引用文献Antibody Lineages with Vaccine-Induced Antigen-Binding Hotspots Develop Broad HIV Neutralization.
Cell, 178, 2019
7D39
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BU of 7d39 by Molmil
FLR-apo
分子名称: Cd1, FLAVIN MONONUCLEOTIDE
著者Hong, S, Yang, G.H, Zhang, P.
登録日2020-09-18
公開日2021-03-03
実験手法X-RAY DIFFRACTION (2.198 Å)
主引用文献Discovery of an ene-reductase for initiating flavone and flavonol catabolism in gut bacteria.
Nat Commun, 12, 2021
7D3B
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BU of 7d3b by Molmil
flavone reductase
分子名称: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, Cd1, FLAVIN MONONUCLEOTIDE
著者Hong, S, Yang, G.H, Zhang, P.
登録日2020-09-18
公開日2021-03-03
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Discovery of an ene-reductase for initiating flavone and flavonol catabolism in gut bacteria.
Nat Commun, 12, 2021
7D3A
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BU of 7d3a by Molmil
flavone reductase
分子名称: 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one, Cd1, FLAVIN MONONUCLEOTIDE
著者Hong, S, Yang, G.H, Zhang, P.
登録日2020-09-18
公開日2021-03-03
最終更新日2021-09-29
実験手法X-RAY DIFFRACTION (2.552 Å)
主引用文献Discovery of an ene-reductase for initiating flavone and flavonol catabolism in gut bacteria.
Nat Commun, 12, 2021
7D38
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BU of 7d38 by Molmil
flavone reductase
分子名称: Cd1, FLAVIN MONONUCLEOTIDE, chrysin
著者Hong, S, Yang, G.H, Zhang, P.
登録日2020-09-18
公開日2021-03-03
実験手法X-RAY DIFFRACTION (2.649 Å)
主引用文献Discovery of an ene-reductase for initiating flavone and flavonol catabolism in gut bacteria.
Nat Commun, 12, 2021
6M31
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BU of 6m31 by Molmil
Structural and Functional Insights into an Archaeal Lipid Synthase
分子名称: Digeranylgeranylglyceryl phosphate synthase, LAURYL DIMETHYLAMINE-N-OXIDE, MAGNESIUM ION, ...
著者Ren, S, Cheng, W.
登録日2020-03-02
公開日2021-02-03
最終更新日2022-08-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and Functional Insights into an Archaeal Lipid Synthase
Cell Rep, 33, 2020
6MPH
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BU of 6mph by Molmil
Cryo-EM structure at 3.8 A resolution of HIV-1 fusion peptide-directed antibody, DF1W-a.01, elicited by vaccination of Rhesus macaques, in complex with stabilized HIV-1 Env BG505 DS-SOSIP, which was also bound to antibodies VRC03 and PGT122
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, DF1W-a.01 Light chain, ...
著者Acharya, P, Xu, K, Kwong, P.D.
登録日2018-10-06
公開日2019-07-24
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Antibody Lineages with Vaccine-Induced Antigen-Binding Hotspots Develop Broad HIV Neutralization.
Cell, 178, 2019
6N1W
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BU of 6n1w by Molmil
Cryo-EM structure at 4.2 A resolution of vaccine-elicited antibody DFPH-a.15 in complex with HIV-1 Env BG505 DS-SOSIP, and antibodies VRC03 and PGT122
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, DFPH-a.15 Light chain, ...
著者Acharya, P, Kwong, P.D.
登録日2018-11-12
公開日2019-07-24
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Antibody Lineages with Vaccine-Induced Antigen-Binding Hotspots Develop Broad HIV Neutralization.
Cell, 178, 2019

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