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5MW3
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BU of 5mw3 by Molmil
Crystal structure of Dot1L in complex with inhibitor CPD1 [N6-(2,6-dichlorophenyl)-N6-(pent-2-yn-1-yl)quinoline-4,6-diamine] and inhibitor CPD2 [(R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-amine]
分子名称: (3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-amine, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
著者Be, C, Koch, E, Gaul, C, Stauffer, F, Moebitz, H, Scheufler, C.
登録日2017-01-18
公開日2017-03-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Discovery of Potent, Selective, and Structurally Novel Dot1L Inhibitors by a Fragment Linking Approach.
ACS Med Chem Lett, 8, 2017
4NWK
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BU of 4nwk by Molmil
Crystal structure of hepatis c virus protease (ns3) complexed with bms-605339 aka n-(tert-butoxycarbonyl)-3-me thyl-l-valyl-(4r)-n-((1r,2s)-1-((cyclopropylsulfonyl)carba moyl)-2-vinylcyclopropyl)-4-((6-methoxy-1-isoquinolinyl)ox y)-l-prolinamide
分子名称: GLYCEROL, HCV NS3 1a Protease, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-4-[(6-methoxyisoquinolin-1-yl)oxy]-L-prolinamide, ...
著者Muckelbauer, J.K, Klei, H.E.
登録日2013-12-06
公開日2014-03-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Discovery and Early Clinical Evaluation of BMS-605339, a Potent and Orally Efficacious Tripeptidic Acylsulfonamide NS3 Protease Inhibitor for the Treatment of Hepatitis C Virus Infection.
J.Med.Chem., 57, 2014
4NWL
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BU of 4nwl by Molmil
Crystal structure of hepatis c virus protease (ns3) complexed with bms-650032 aka n-(tert-butoxycarbonyl)-3-me thyl-l-valyl-(4r)-4-((7-chloro-4-methoxy-1-isoquinolinyl)o xy)-n-((1r,2s)-1-((cyclopropylsulfonyl)carbamoyl)-2-vinylc yclopropyl)-l-prolinamide
分子名称: HCV NS3 1a Protease, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-L-prolinamide, ZINC ION
著者Muckelbauer, J.K, Klei, H.E.
登録日2013-12-06
公開日2014-03-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery and Early Clinical Evaluation of BMS-605339, a Potent and Orally Efficacious Tripeptidic Acylsulfonamide NS3 Protease Inhibitor for the Treatment of Hepatitis C Virus Infection.
J.Med.Chem., 57, 2014
6K7P
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BU of 6k7p by Molmil
Crystal structure of human AFF4-THD domain
分子名称: AF4/FMR2 family member 4
著者Tang, D, Xue, Y, Li, S, Cheng, W, Duan, J, Wang, J, Qi, S.
登録日2019-06-08
公開日2020-03-11
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural and functional insight into the effect of AFF4 dimerization on activation of HIV-1 proviral transcription.
Cell Discov, 6, 2020
8G9X
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BU of 8g9x by Molmil
Cryo-EM structure of vFP49.02 Fab in complex with HIV-1 Env BG505 DS-SOSIP.664 (conformation 2)
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, Envelope glycoprotein gp120, ...
著者Changela, A, Gorman, J, Kwong, P.D.
登録日2023-02-22
公開日2023-04-19
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (4.46 Å)
主引用文献Diverse Murine Vaccinations Reveal Distinct Antibody Classes to Target Fusion Peptide and Variation in Peptide Length to Improve HIV Neutralization.
J.Virol., 97, 2023
8GAS
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BU of 8gas by Molmil
vFP48.02 Fab in complex with BG505 DS-SOSIP Env trimer
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, Envelope glycoprotein gp120, ...
著者Gorman, J, Kwong, P.D.
登録日2023-02-23
公開日2023-04-19
最終更新日2025-05-14
実験手法ELECTRON MICROSCOPY (4.04 Å)
主引用文献Diverse Murine Vaccinations Reveal Distinct Antibody Classes to Target Fusion Peptide and Variation in Peptide Length to Improve HIV Neutralization.
J.Virol., 97, 2023
8FR6
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BU of 8fr6 by Molmil
Antibody vFP53.02 in complex with HIV-1 envelope trimer BG505 DS-SOSIP
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, Envelope glycoprotein gp120, ...
著者Wang, S, Kwong, P.D.
登録日2023-01-06
公開日2023-04-19
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Diverse Murine Vaccinations Reveal Distinct Antibody Classes to Target Fusion Peptide and Variation in Peptide Length to Improve HIV Neutralization.
J.Virol., 97, 2023
8G85
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BU of 8g85 by Molmil
vFP52.02 Fab in complex with BG505 DS-SOSIP Env trimer
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, Envelope glycoprotein gp120, ...
著者Gorman, J, Kwong, P.D.
登録日2023-02-17
公開日2023-04-19
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.99 Å)
主引用文献Diverse Murine Vaccinations Reveal Distinct Antibody Classes to Target Fusion Peptide and Variation in Peptide Length to Improve HIV Neutralization.
J.Virol., 97, 2023
8G9W
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BU of 8g9w by Molmil
Cryo-EM structure of vFP49.02 Fab in complex with HIV-1 Env BG505 DS-SOSIP.664 (conformation 1)
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, Envelope glycoprotein gp120, ...
著者Changela, A, Gorman, J, Kwong, P.D.
登録日2023-02-22
公開日2023-04-19
最終更新日2024-11-20
実験手法ELECTRON MICROSCOPY (4.66 Å)
主引用文献Diverse Murine Vaccinations Reveal Distinct Antibody Classes to Target Fusion Peptide and Variation in Peptide Length to Improve HIV Neutralization.
J.Virol., 97, 2023
8G9Y
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BU of 8g9y by Molmil
Cryo-EM structure of vFP49.02 Fab in complex with HIV-1 Env BG505 DS-SOSIP.664 (conformation 3)
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, Envelope glycoprotein gp120, ...
著者Changela, A, Gorman, J, Kwong, P.D.
登録日2023-02-22
公開日2023-04-19
最終更新日2024-11-20
実験手法ELECTRON MICROSCOPY (4.28 Å)
主引用文献Diverse Murine Vaccinations Reveal Distinct Antibody Classes to Target Fusion Peptide and Variation in Peptide Length to Improve HIV Neutralization.
J.Virol., 97, 2023
5TKK
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BU of 5tkk by Molmil
Structure of mouse vaccination-elicited HIV neutralizing antibody vFP5.01 in complex with HIV-1 fusion peptide residue 512-519
分子名称: HIV-1 fusion peptide residue 512-519, mouse antibody vFP5.01 heavy chain, mouse antibody vFP5.01 light chain
著者Xu, K, Liu, K, Kwong, P.D.
登録日2016-10-06
公開日2018-04-04
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Epitope-based vaccine design yields fusion peptide-directed antibodies that neutralize diverse strains of HIV-1.
Nat. Med., 24, 2018
5TKJ
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BU of 5tkj by Molmil
Structure of vaccine-elicited diverse HIV-1 neutralizing antibody vFP1.01 in complex with HIV-1 fusion peptide residue 512-519
分子名称: HIV-1 fusion peptide residue 512-519, SULFATE ION, vFP1.01 chimeric mouse antibody heavy chain, ...
著者Xu, K, Liu, K, Kwong, P.D.
登録日2016-10-06
公開日2018-04-04
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.118 Å)
主引用文献Epitope-based vaccine design yields fusion peptide-directed antibodies that neutralize diverse strains of HIV-1.
Nat. Med., 24, 2018
2MXP
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BU of 2mxp by Molmil
Solution structure of NDP52 ubiquitin-binding zinc finger
分子名称: Calcium-binding and coiled-coil domain-containing protein 2, ZINC ION
著者Pan, L, Xie, X.
登録日2015-01-12
公開日2015-11-11
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Molecular basis of ubiquitin recognition by the autophagy receptor CALCOCO2
Autophagy, 11, 2015
4ZSE
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BU of 4zse by Molmil
Crystal structure of EGFR 696-1022 T790M/V948R, crystal form II
分子名称: 1,2-ETHANEDIOL, Epidermal growth factor receptor, MAGNESIUM ION, ...
著者Yan, X.E, Yun, C.H.
登録日2015-05-13
公開日2016-06-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Ibrutinib Selectively and Irreversibly Targets EGFR-mutant non-Small Cell Lung Cancer Cells
To Be Published
5XMK
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BU of 5xmk by Molmil
Cryo-EM structure of the ATP-bound Vps4 mutant-E233Q complex with Vta1 (masked)
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Vacuolar protein sorting-associated protein 4, Vacuolar protein sorting-associated protein VTA1
著者Sun, S, Li, L, Yang, F, Wang, X, Fan, F, Li, X, Wang, H, Sui, S.
登録日2017-05-15
公開日2017-08-09
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.18 Å)
主引用文献Cryo-EM structures of the ATP-bound Vps4(E233Q) hexamer and its complex with Vta1 at near-atomic resolution
Nat Commun, 8, 2017
5XMI
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BU of 5xmi by Molmil
Cryo-EM Structure of the ATP-bound VPS4 mutant-E233Q hexamer (masked)
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Vacuolar protein sorting-associated protein 4
著者Sun, S, Li, L, Yang, F, Wang, X, Fan, F, Li, X, Wang, H, Sui, S.
登録日2017-05-15
公開日2017-08-09
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Cryo-EM structures of the ATP-bound Vps4(E233Q) hexamer and its complex with Vta1 at near-atomic resolution
Nat Commun, 8, 2017
5X38
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BU of 5x38 by Molmil
Solution structure of the Family 1 carbohydrate-binding module with glucosylated Ser3
分子名称: Exoglucanase 1, beta-D-glucopyranose
著者Feng, Y, Tan, Z.
登録日2017-02-04
公開日2017-05-31
最終更新日2024-11-13
実験手法SOLUTION NMR
主引用文献Structural Insight into the Stabilizing Effect of O-Glycosylation
Biochemistry, 56, 2017
5X35
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BU of 5x35 by Molmil
Solution structure of the Family 1 carbohydrate-binding module with mannosylated Thr1
分子名称: Exoglucanase 1, alpha-D-mannopyranose
著者Feng, Y, Tan, Z.
登録日2017-02-04
公開日2017-05-31
最終更新日2024-11-13
実験手法SOLUTION NMR
主引用文献Structural Insight into the Stabilizing Effect of O-Glycosylation
Biochemistry, 56, 2017
5X3C
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BU of 5x3c by Molmil
Solution structure of the Family 1 carbohydrate-binding module Y5A mutant with mannosylated Ser3
分子名称: Exoglucanase 1, alpha-D-mannopyranose
著者Feng, Y, Tan, Z.
登録日2017-02-04
公開日2017-05-31
最終更新日2024-11-13
実験手法SOLUTION NMR
主引用文献Structural Insight into the Stabilizing Effect of O-Glycosylation
Biochemistry, 56, 2017
5X36
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BU of 5x36 by Molmil
Solution structure of the Family 1 carbohydrate-binding module with mannosylated Ser3
分子名称: Exoglucanase 1, alpha-D-mannopyranose
著者Feng, Y, Tan, Z.
登録日2017-02-04
公開日2017-05-31
最終更新日2024-10-16
実験手法SOLUTION NMR
主引用文献Structural Insight into the Stabilizing Effect of O-Glycosylation
Biochemistry, 56, 2017
5X37
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BU of 5x37 by Molmil
Solution structure of the Family 1 carbohydrate-binding module with mannosylated Ser14
分子名称: Exoglucanase 1, alpha-D-mannopyranose
著者Feng, Y, Tan, Z.
登録日2017-02-04
公開日2017-05-31
最終更新日2024-11-06
実験手法SOLUTION NMR
主引用文献Structural Insight into the Stabilizing Effect of O-Glycosylation
Biochemistry, 56, 2017
5MVS
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BU of 5mvs by Molmil
Crystal structure of Dot1L in complex with adenosine and inhibitor CPD1 [N6-(2,6-dichlorophenyl)-N6-(pent-2-yn-1-yl)quinoline-4,6-diamine]
分子名称: ADENOSINE, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
著者Be, C, Koch, E, Gaul, C, Stauffer, F, Moebitz, H, Scheufler, C.
登録日2017-01-17
公開日2017-03-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Discovery of Potent, Selective, and Structurally Novel Dot1L Inhibitors by a Fragment Linking Approach.
ACS Med Chem Lett, 8, 2017
5MW4
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BU of 5mw4 by Molmil
Crystal structure of Dot1L in complex with inhibitor CPD7 [N-(3-(((R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl)(methyl)amino)propyl)-2-(3-(2-chloro-3-(2-methylpyridin-3-yl)benzo[b]thiophen-5-yl)ureido)acetamide]
分子名称: Histone-lysine N-methyltransferase, H3 lysine-79 specific, N~2~-{[2-chloro-3-(2-methylpyridin-3-yl)-1-benzothiophen-5-yl]carbamoyl}-N-(3-{methyl[(3R)-1-(5H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]amino}propyl)glycinamide, ...
著者Be, C, Koch, E, Gaul, C, Stauffer, F, Moebitz, H, Scheufler, C.
登録日2017-01-18
公開日2017-03-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Discovery of Potent, Selective, and Structurally Novel Dot1L Inhibitors by a Fragment Linking Approach.
ACS Med Chem Lett, 8, 2017
1M07
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BU of 1m07 by Molmil
RESIDUES INVOLVED IN THE CATALYSIS AND BASE SPECIFICITY OF CYTOTOXIC RIBONUCLEASE FROM BULLFROG (RANA CATESBEIANA)
分子名称: 5'-D(*AP*CP*GP*A)-3', Ribonuclease
著者Leu, Y.-J, Chern, S.-S, Wang, S.-C, Hsiao, Y.-Y, Amiraslanov, I, Liaw, Y.-C, Liao, Y.-D.
登録日2002-06-12
公開日2003-01-21
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Residues involved in the catalysis, base specificity, and cytotoxicity of ribonuclease from Rana catesbeiana based upon mutagenesis and X-ray crystallography
J.Biol.Chem., 278, 2003
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2024-10-16
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

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