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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2024-11-06
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
7C17
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BU of 7c17 by Molmil
The cryo-EM structure of E. coli CueR transcription activation complex with fully duplex promoter DNA
分子名称: DNA (72-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Fang, C.L, Zhang, Y.
登録日2020-05-02
公開日2020-09-30
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.22 Å)
主引用文献CueR activates transcription through a DNA distortion mechanism.
Nat.Chem.Biol., 17, 2021
5VGJ
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BU of 5vgj by Molmil
Crystal Structure of the Human Fab VRC38.01, an HIV-1 V1V2-Directed Neutralizing Antibody Isolated from Donor N90, bound to a scaffolded WITO V1V2 domain
分子名称: 1FD6-V1V2-WITO, 2-acetamido-2-deoxy-beta-D-glucopyranose, VRC38.01 Fab Heavy Chain, ...
著者Gorman, J, Li, J, Kwong, P.D.
登録日2017-04-11
公開日2017-05-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.456 Å)
主引用文献Virus-like Particles Identify an HIV V1V2 Apex-Binding Neutralizing Antibody that Lacks a Protruding Loop.
Immunity, 46, 2017
4WHZ
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BU of 4whz by Molmil
Design and Synthesis of Highly Potent and Isoform Selective JNK3 Inhibitors: SAR Studies on Aminopyrazole Derivatives
分子名称: 3-(4-{[(2-chlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-{1-[(3S)-pyrrolidin-3-yl]-1H-pyrazol-4-yl}benzamide, Mitogen-activated protein kinase 10
著者Park, H, LoGrasso, P.
登録日2014-09-24
公開日2014-11-26
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Design and Synthesis of Highly Potent and Isoform Selective JNK3 Inhibitors: SAR Studies on Aminopyrazole Derivatives.
J.Med.Chem., 57, 2014
3LFM
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BU of 3lfm by Molmil
Crystal structure of the fat mass and obesity associated (FTO) protein reveals basis for its substrate specificity
分子名称: 3-methylthymidine, FE (II) ION, N-OXALYLGLYCINE, ...
著者Chai, J, Han, Z.
登録日2010-01-18
公開日2010-04-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of the FTO protein reveals basis for its substrate specificity
Nature, 464, 2010
4G34
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BU of 4g34 by Molmil
Crystal Structure of GSK6924 Bound to PERK (R587-R1092, delete A660-T867) at 2.70 A Resolution
分子名称: 1-[5-(4-aminothieno[3,2-c]pyridin-3-yl)-2,3-dihydro-1H-indol-1-yl]-2-phenylethanone, Eukaryotic translation initiation factor 2-alpha kinase 3
著者Gampe, R.T, Axten, J.M.
登録日2012-07-13
公開日2012-08-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of 7-Methyl-5-(1-{[3-(trifluoromethyl)phenyl]acetyl}-2,3-dihydro-1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (GSK2606414), a Potent and Selective First-in-Class Inhibitor of Protein Kinase R (PKR)-like Endoplasmic Reticulum Kinase (PERK).
J.Med.Chem., 55, 2012
4G31
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BU of 4g31 by Molmil
Crystal Structure of GSK6414 Bound to PERK (R587-R1092, delete A660-T867) at 2.28 A Resolution
分子名称: 1-[5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone, Eukaryotic translation initiation factor 2-alpha kinase 3, GLYCEROL
著者Gampe, R.T, Axten, J.M.
登録日2012-07-13
公開日2012-08-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Discovery of 7-Methyl-5-(1-{[3-(trifluoromethyl)phenyl]acetyl}-2,3-dihydro-1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (GSK2606414), a Potent and Selective First-in-Class Inhibitor of Protein Kinase R (PKR)-like Endoplasmic Reticulum Kinase (PERK).
J.Med.Chem., 55, 2012
8R3Z
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BU of 8r3z by Molmil
Cryo-EM structure of the Asgard archaeal Argonaute HrAgo1 bound to a guide RNA
分子名称: HrAgo1, MAGNESIUM ION, RNA (5'-R(P*UP*GP*AP*GP*GP*U*(MG))-3')
著者Finocchio, G, Swarts, D, Jinek, M.
登録日2023-11-10
公開日2024-06-19
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献RNA-guided RNA silencing by an Asgard archaeal Argonaute.
Nat Commun, 15, 2024
8R6X
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BU of 8r6x by Molmil
Cryo-EM structure of a coxsackievirus A6 virus-like particle
分子名称: Genome polyprotein
著者Giannopoulou, E.A, Jakobi, A.J.
登録日2023-11-23
公開日2024-10-16
実験手法ELECTRON MICROSCOPY (3.15 Å)
主引用文献Enterovirus-like particles can encapsidate viral RNA
To Be Published
6L87
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BU of 6l87 by Molmil
Solution structure of the tandem PWWP-ARID domains of human RBBP1
分子名称: AT-rich interactive domain-containing protein 4A
著者Gong, W.B, Perrett, S, Feng, Y.G.
登録日2019-11-05
公開日2021-01-06
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural insight into chromatin recognition by multiple domains of the tumor suppressor RBBP1.
J.Mol.Biol., 2021
6J9F
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BU of 6j9f by Molmil
Cryo-EM structure of Xanthomonos oryzae transcription elongation complex with the bacteriophage protein P7
分子名称: 45L, DNA (29-MER), DNA-directed RNA polymerase subunit alpha, ...
著者You, L.L, Zhang, Y.
登録日2019-01-22
公開日2019-07-17
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.95 Å)
主引用文献Structural basis for transcription antitermination at bacterial intrinsic terminator.
Nat Commun, 10, 2019
6J9E
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BU of 6j9e by Molmil
Cryo-EM structure of Xanthomonos oryzae transcription elongation complex with NusA and the bacteriophage protein P7
分子名称: 45L, DNA (29-MER), DNA-directed RNA polymerase subunit alpha, ...
著者You, L.L, Zhang, Y.
登録日2019-01-22
公開日2019-07-17
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.41 Å)
主引用文献Structural basis for transcription antitermination at bacterial intrinsic terminator.
Nat Commun, 10, 2019
6KJ6
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BU of 6kj6 by Molmil
cryo-EM structure of Escherichia coli Crl transcription activation complex
分子名称: DNA (51-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Xu, J, Zhang, Y.
登録日2019-07-21
公開日2020-01-01
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Crl activates transcription by stabilizing active conformation of the master stress transcription initiation factor.
Elife, 8, 2019
5YJ7
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BU of 5yj7 by Molmil
Structural insight into the beta-GH1 glucosidase BGLN1 from oleaginous microalgae Nannochloropsis
分子名称: CALCIUM ION, GLYCEROL, Glycoside hydrolase
著者Dong, S, Liu, Y.J, Zhou, H.X, Xiao, Y, Xu, J, Cui, Q, Wang, X.Q, Feng, Y.G.
登録日2017-10-09
公開日2018-10-10
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Structural insight into a GH1 beta-glucosidase from the oleaginous microalga, Nannochloropsis oceanica.
Int.J.Biol.Macromol., 170, 2021
6E3M
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BU of 6e3m by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 6-(3-carboxyphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid
分子名称: 1,2-ETHANEDIOL, 6-(3-carboxyphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, ...
著者Morrison, C.N, Dick, B.L, Credille, C.V, Cohen, S.M.
登録日2018-07-14
公開日2019-07-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease.
J.Med.Chem., 62, 2019
6E3N
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BU of 6e3n by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 3-hydroxy-4-oxo-6-(o-tolyl)-1,4-dihydropyridine-2-carboxylic acid
分子名称: 3-hydroxy-6-(2-methylphenyl)-4-oxo-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, Polymerase acidic protein
著者Morrison, C.N, Dick, B.L, Credille, C.V, Cohen, S.M.
登録日2018-07-14
公開日2019-07-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease.
J.Med.Chem., 62, 2019
6E3O
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BU of 6e3o by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 6-(2-ethylphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid
分子名称: 6-(2-ethylphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, Polymerase acidic protein
著者Morrison, C.N, Dick, B.L, Credille, C.V, Cohen, S.M.
登録日2018-07-14
公開日2019-07-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease.
J.Med.Chem., 62, 2019
6E3P
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BU of 6e3p by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 6-(3-(1H-tetrazol-5-yl)phenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid
分子名称: 3-hydroxy-4-oxo-6-[3-(1H-tetrazol-5-yl)phenyl]-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, Polymerase acidic protein
著者Morrison, C.N, Dick, B.L, Credille, C.V, Cohen, S.M.
登録日2018-07-14
公開日2019-07-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease.
J.Med.Chem., 62, 2019
6E4C
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BU of 6e4c by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 3-hydroxy-6-(2-methyl-4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl)-4-oxo-1,4-dihydropyridine-2-carboxylic acid
分子名称: 1,2-ETHANEDIOL, 3-hydroxy-6-[2-methyl-4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]-4-oxo-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, ...
著者Morrison, C.N, Dick, B.L, Credille, C.V, Cohen, S.M.
登録日2018-07-17
公開日2019-07-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease.
J.Med.Chem., 62, 2019
5IHC
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BU of 5ihc by Molmil
MELK in complex with NVS-MELK12B
分子名称: 4-[1-(2-fluorophenyl)-1H-pyrazol-4-yl]-3-[(piperidin-4-yl)methoxy]pyridine, Maternal embryonic leucine zipper kinase
著者Sprague, E.R, Brazell, T.
登録日2016-02-29
公開日2016-06-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight.
J.Med.Chem., 59, 2016
5IHA
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BU of 5iha by Molmil
MELK in complex with NVS-MELK8F
分子名称: 1-methyl-4-(4-{4-[3-(2-methylpropoxy)pyridin-4-yl]-1H-pyrazol-1-yl}phenyl)piperazine, Maternal embryonic leucine zipper kinase
著者Sprague, E.R, Brazell, T.
登録日2016-02-29
公開日2016-06-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight.
J.Med.Chem., 59, 2016
6E6V
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BU of 6e6v by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 3-hydroxy-6-methyl-4-oxo-1,4-dihydropyridine-2-carboxylic acid
分子名称: 1,2-ETHANEDIOL, 3-hydroxy-6-methyl-4-oxo-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, ...
著者Dick, B.L, Morrison, C.N, Credille, C.V, Cohen, S.M.
登録日2018-07-25
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease.
J.Med.Chem., 62, 2019
6JYZ
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BU of 6jyz by Molmil
Crystal structure of endogalactoceramidase
分子名称: 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ISOPROPYL ALCOHOL, ...
著者Liuqing, C, Yan, F.
登録日2019-04-29
公開日2019-10-02
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structure of an endogalactosylceramidase from Rhodococcus hoagii 103S reveals the molecular basis of its substrate specificity.
J.Struct.Biol., 208, 2019
5IH9
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MELK in complex with NVS-MELK8A
分子名称: 1-methyl-4-[4-(4-{3-[(piperidin-4-yl)methoxy]pyridin-4-yl}-1H-pyrazol-1-yl)phenyl]piperazine, Maternal embryonic leucine zipper kinase
著者Sprague, E.R, Puleo, D.E.
登録日2016-02-29
公開日2016-06-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight.
J.Med.Chem., 59, 2016

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