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7EOK
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BU of 7eok by Molmil
Crystal structure of the Pepper aptamer in complex with HBC485
分子名称: 4-[(~{Z})-1-cyano-2-[5-[2-(dimethylamino)ethyl-methyl-amino]pyrazin-2-yl]ethenyl]benzenecarbonitrile, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Huang, K.Y, Ren, A.M.
登録日2021-04-22
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure-based investigation of fluorogenic Pepper aptamer.
Nat.Chem.Biol., 17, 2021
7EOG
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BU of 7eog by Molmil
Crystal structure of the Pepper aptamer in complex with HBC, iridium hexammine soak
分子名称: 4-[(~{Z})-1-cyano-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]ethenyl]benzenecarbonitrile, GUANOSINE-5'-TRIPHOSPHATE, IRIDIUM HEXAMMINE ION, ...
著者Huang, K.Y, Ren, A.M.
登録日2021-04-22
公開日2021-11-24
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-based investigation of fluorogenic Pepper aptamer.
Nat.Chem.Biol., 17, 2021
7EOO
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BU of 7eoo by Molmil
Crystal structure of the Pepper aptamer in complex with HBC525
分子名称: (~{E})-2-(1,3-benzoxazol-2-yl)-3-[4-[2-hydroxyethyl(methyl)amino]phenyl]prop-2-enenitrile, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Huang, K.Y, Ren, A.M.
登録日2021-04-22
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Structure-based investigation of fluorogenic Pepper aptamer.
Nat.Chem.Biol., 17, 2021
7EOM
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BU of 7eom by Molmil
Crystal structure of the Pepper aptamer in complex with HBC508
分子名称: 4-[(~{Z})-1-cyano-2-[6-[2-hydroxyethyl(methyl)amino]pyridin-3-yl]ethenyl]benzenecarbonitrile, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Huang, K.Y, Ren, A.M.
登録日2021-04-22
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.703 Å)
主引用文献Structure-based investigation of fluorogenic Pepper aptamer.
Nat.Chem.Biol., 17, 2021
7EOP
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BU of 7eop by Molmil
Crystal structure of the Pepper aptamer in complex with HBC620
分子名称: 4-[(~{Z})-1-cyano-2-[5-[2-hydroxyethyl(methyl)amino]thieno[3,2-b]thiophen-2-yl]ethenyl]benzenecarbonitrile, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Huang, K.Y, Ren, A.M.
登録日2021-04-22
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-based investigation of fluorogenic Pepper aptamer.
Nat.Chem.Biol., 17, 2021
7EOH
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BU of 7eoh by Molmil
Crystal structure of the Pepper aptamer in complex with HBC
分子名称: 4-[(~{Z})-1-cyano-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]ethenyl]benzenecarbonitrile, MAGNESIUM ION, Pepper (49-MER)
著者Huang, K.Y, Ren, A.M.
登録日2021-04-22
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.637 Å)
主引用文献Structure-based investigation of fluorogenic Pepper aptamer.
Nat.Chem.Biol., 17, 2021
7EOL
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BU of 7eol by Molmil
Crystal structure of the Pepper aptamer in complex with HBC497
分子名称: 4-[(~{Z})-1-cyano-2-[5-[2-hydroxyethyl(methyl)amino]pyrazin-2-yl]ethenyl]benzenecarbonitrile, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Huang, K.Y, Ren, A.M.
登録日2021-04-22
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.309 Å)
主引用文献Structure-based investigation of fluorogenic Pepper aptamer.
Nat.Chem.Biol., 17, 2021
7EOJ
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BU of 7eoj by Molmil
Crystal structure of the Pepper aptamer in complex with HBC, cesium soak
分子名称: 4-[(~{Z})-1-cyano-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]ethenyl]benzenecarbonitrile, CESIUM ION, MAGNESIUM ION, ...
著者Huang, K.Y, Ren, A.M.
登録日2021-04-22
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Structure-based investigation of fluorogenic Pepper aptamer.
Nat.Chem.Biol., 17, 2021
7EOI
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BU of 7eoi by Molmil
Crystal structure of the Pepper aptamer in complex with HBC, manganese soak
分子名称: 4-[(~{Z})-1-cyano-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]ethenyl]benzenecarbonitrile, MAGNESIUM ION, MANGANESE (II) ION, ...
著者Huang, K.Y, Ren, A.M.
登録日2021-04-22
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Structure-based investigation of fluorogenic Pepper aptamer.
Nat.Chem.Biol., 17, 2021
7EON
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BU of 7eon by Molmil
Crystal structure of the Pepper aptamer in complex with HBC514
分子名称: 4-[(~{Z})-1-cyano-2-[4-[2-(dimethylamino)ethyl-methyl-amino]phenyl]ethenyl]benzenecarbonitrile, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Huang, K.Y, Ren, A.M.
登録日2021-04-22
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-based investigation of fluorogenic Pepper aptamer.
Nat.Chem.Biol., 17, 2021
8HZD
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BU of 8hzd by Molmil
A new fluorescent RNA aptamer bound with N618
分子名称: 4-[(~{E})-2-[(4~{Z})-4-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methylidene]-1-methyl-5-oxidanylidene-imidazol-2-yl]ethenyl]benzenecarbonitrile, MAGNESIUM ION, RNA (36-MER)
著者Song, Q.Q, Ren, A.M.
登録日2023-01-09
公開日2024-06-19
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structural basis of a small monomeric Clivia fluorogenic RNA with a large Stokes shift.
Nat.Chem.Biol., 2024
7DYR
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BU of 7dyr by Molmil
CryoEM Structure of Mannose Transporter ManYZ and Microcin E492 (MceA) complex
分子名称: Microcin E492, PTS system mannose-specific EIIC component, PTS system mannose-specific EIID component, ...
著者Wang, J.W, Zeng, J.W.
登録日2021-01-22
公開日2021-09-01
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.28 Å)
主引用文献Structure of the mannose phosphotransferase system (man-PTS) complexed with microcin E492, a pore-forming bacteriocin.
Cell Discov, 7, 2021
6OCZ
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BU of 6ocz by Molmil
Crystal Structure of Mycobacterium tuberculosis Proteasome in Complex with Phenylimidazole-based Inhibitor A86
分子名称: CITRIC ACID, DIMETHYLFORMAMIDE, N-{(2S)-1-({(2S)-1-[(2,4-difluorobenzyl)amino]-1-oxopropan-2-yl}amino)-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide (non-preferred name), ...
著者Hsu, H.C, Li, H.
登録日2019-03-25
公開日2019-10-09
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Selective Phenylimidazole-Based Inhibitors of theMycobacterium tuberculosisProteasome.
J.Med.Chem., 62, 2019
6OCW
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BU of 6ocw by Molmil
Crystal Structure of Mycobacterium tuberculosis Proteasome in Complex with Phenylimidazole-based Inhibitor A85
分子名称: CITRIC ACID, DIMETHYLFORMAMIDE, N-{(2S)-1-({(2S)-1-[(2,4-difluorobenzyl)amino]-1-oxopropan-2-yl}amino)-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide (non-preferred name), ...
著者Hsu, H.C, Li, H.
登録日2019-03-25
公開日2019-10-09
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Selective Phenylimidazole-Based Inhibitors of theMycobacterium tuberculosisProteasome.
J.Med.Chem., 62, 2019
6ODE
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BU of 6ode by Molmil
Crystal Structure of Mycobacterium tuberculosis Proteasome in Complex with Phenylimidazole-based Inhibitor B6
分子名称: N-{(2S)-1-({(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]ethyl}amino)-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide, Proteasome subunit alpha, Proteasome subunit beta
著者Hsu, H.C, Li, H.
登録日2019-03-26
公開日2019-10-09
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Selective Phenylimidazole-Based Inhibitors of theMycobacterium tuberculosisProteasome.
J.Med.Chem., 62, 2019
6WNK
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BU of 6wnk by Molmil
Macrocyclic peptides TDI5575 that selectively inhibit the Mycobacterium tuberculosis proteasome
分子名称: (12S,15S)-N-[(2-fluorophenyl)methyl]-10,13-dioxo-12-{2-oxo-2-[(2R)-2-phenylpyrrolidin-1-yl]ethyl}-2-oxa-11,14-diazatricyclo[15.2.2.1~3,7~]docosa-1(19),3(22),4,6,17,20-hexaene-15-carboxamide, CITRIC ACID, DIMETHYLFORMAMIDE, ...
著者Hsu, H.C, Li, H.
登録日2020-04-22
公開日2021-04-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Macrocyclic Peptides that Selectively Inhibit the Mycobacterium tuberculosis Proteasome.
J.Med.Chem., 64, 2021
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
6CT5
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BU of 6ct5 by Molmil
PptT PAP(CoA) 8918 complex
分子名称: 4'-phosphopantetheinyl transferase, COENZYME A, DIMETHYL SULFOXIDE, ...
著者Mosior, J, Sacchettini, J, TB Structural Genomics Consortium (TBSGC)
登録日2018-03-22
公開日2019-02-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.759346 Å)
主引用文献Opposing reactions in coenzyme A metabolism sensitizeMycobacterium tuberculosisto enzyme inhibition.
Science, 363, 2019
6K1H
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BU of 6k1h by Molmil
Structure of membrane protein
分子名称: PTS mannose transporter subunit IID, PTS system mannose-specific EIIC component, alpha-D-mannopyranose
著者Wang, J.W, Zeng, J.W.
登録日2019-05-10
公開日2019-07-10
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.52 Å)
主引用文献Structure of the mannose transporter of the bacterial phosphotransferase system.
Cell Res., 29, 2019
8EL0
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BU of 8el0 by Molmil
Structure of MBP-Mcl-1 in complex with a macrocyclic compound
分子名称: (7R,20P)-18-chloro-1-(4-fluorophenyl)-10-{[(2M)-2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy}-19-methyl-15-[2-(4-methylpiperazin-1-yl)ethyl]-7,8,15,16-tetrahydro-14H-17,20-etheno-9,13-(metheno)-6-oxa-2-thia-3,5,15-triazacyclooctadeca[1,2,3-cd]indene-7-carboxylic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Judge, R.A, Judd, A.S, Souers, A.J.
登録日2022-09-22
公開日2023-10-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.917 Å)
主引用文献Selective MCL-1 inhibitor ABBV-467 is efficacious in tumor models but is associated with cardiac troponin increases in patients.
Commun Med (Lond), 3, 2023
8EL1
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BU of 8el1 by Molmil
Structure of MBP-Mcl-1 in complex with ABBV-467
分子名称: (7R,16R)-19,23-dichloro-10-{[2-(4-{[(2R)-1,4-dioxan-2-yl]methoxy}phenyl)pyrimidin-4-yl]methoxy}-1-(4-fluorophenyl)-20,22-dimethyl-16-[(4-methylpiperazin-1-yl)methyl]-7,8,15,16-tetrahydro-18,21-etheno-13,9-(metheno)-6,14,17-trioxa-2-thia-3,5-diazacyclononadeca[1,2,3-cd]indene-7-carboxylic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Judge, R.A, Judd, A.S, Souers, A.J.
登録日2022-09-22
公開日2023-10-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.406 Å)
主引用文献Selective MCL-1 inhibitor ABBV-467 is efficacious in tumor models but is associated with cardiac troponin increases in patients.
Commun Med (Lond), 3, 2023
8EKX
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BU of 8ekx by Molmil
Structure of MBP-Mcl-1 in complex with MIK665
分子名称: (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Judge, R.A, Judd, A.S, Souers, A.J.
登録日2022-09-22
公開日2023-11-08
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Selective MCL-1 inhibitor ABBV-467 is efficacious in tumor models but is associated with cardiac troponin increases in patients.
Commun Med (Lond), 3, 2023
5XUR
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BU of 5xur by Molmil
Crystal Structure of Rv2466c C22S Mutant
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Thioredoxin-like reductase Rv2466c
著者Zhang, X, Li, H.
登録日2017-06-25
公開日2018-03-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.996 Å)
主引用文献Identification of a Mycothiol-Dependent Nitroreductase from Mycobacterium tuberculosis.
ACS Infect Dis, 4, 2018
3KQ6
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BU of 3kq6 by Molmil
Enhancing the Therapeutic Properties of a Protein by a Designed Zinc-Binding Site, Structural principles of a novel long-acting insulin analog
分子名称: CHLORIDE ION, Insulin A chain, Insulin B chain, ...
著者Wan, Z.L, Hu, S.Q, Whittaker, L, Phillips, N.B, Whittake, J, Ismail-Beigi, F, Weiss, M.A.
登録日2009-11-17
公開日2010-02-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Supramolecular protein engineering: design of zinc-stapled insulin hexamers as a long acting depot.
J.Biol.Chem., 285, 2010

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