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1DS0
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BU of 1ds0 by Molmil
CRYSTAL STRUCTURE OF CLAVAMINATE SYNTHASE
分子名称: ACETATE ION, CLAVAMINATE SYNTHASE 1, SULFATE ION
著者Zhang, Z.H, Ren, J, Stammers, D.K, Baldwin, J.E, Harlos, K, Schofield, C.J.
登録日2000-01-06
公開日2000-07-06
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Structural origins of the selectivity of the trifunctional oxygenase clavaminic acid synthase.
Nat.Struct.Biol., 7, 2000
6JQB
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BU of 6jqb by Molmil
The structure of maltooligosaccharide-forming amylase from Pseudomonas saccharophila STB07 with pseudo-maltoheptaose
分子名称: 1,2-ETHANEDIOL, ACARBOSE DERIVED HEPTASACCHARIDE, CALCIUM ION, ...
著者Li, Z.F, Ban, X.F, Zhang, Z.Q, Li, C.M, Gu, Z.B, Jin, T.C, Li, Y.L, Shang, Y.H.
登録日2019-03-30
公開日2020-04-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.101 Å)
主引用文献Structure of maltotetraose-forming amylase from Pseudomonas saccharophila STB07 provides insights into its product specificity.
Int.J.Biol.Macromol., 154, 2020
5LUA
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BU of 5lua by Molmil
Crystal structure of human legumain (AEP) in complex with compound 11b
分子名称: 2,4-di(morpholin-4-yl)aniline, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Dall, E, Ye, K, Brandstetter, H.
登録日2016-09-08
公開日2017-03-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Inhibition of delta-secretase improves cognitive functions in mouse models of Alzheimer's disease.
Nat Commun, 8, 2017
5LUB
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BU of 5lub by Molmil
Crystal structure of human legumain (AEP) in complex with compound 11
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, 7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-amine, ...
著者Dall, E, Ye, K, Brandstetter, H.
登録日2016-09-08
公開日2017-03-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Inhibition of delta-secretase improves cognitive functions in mouse models of Alzheimer's disease.
Nat Commun, 8, 2017
5LU8
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CRYSTAL STRUCTURE OF YVAD-CMK BOUND HUMAN LEGUMAIN (AEP) IN COMPLEX WITH COMPOUND 11B
分子名称: 2,4-di(morpholin-4-yl)aniline, 2-acetamido-2-deoxy-beta-D-glucopyranose, AC-TYR-VAL-ALA-ASP-CHLOROMETHYLKETONE, ...
著者Dall, E, Ye, K, Brandstetter, H.
登録日2016-09-08
公開日2017-03-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Inhibition of delta-secretase improves cognitive functions in mouse models of Alzheimer's disease.
Nat Commun, 8, 2017
5LU9
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Crystal structure of YVAD-cmk bound human legumain (AEP) in complex with compound 11
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-amine, AC-TYR-VAL-ALA-ASP-CHLOROMETHYLKETONE, ...
著者Dall, E, Ye, K, Brandstetter, H.
登録日2016-09-08
公開日2017-03-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Inhibition of delta-secretase improves cognitive functions in mouse models of Alzheimer's disease.
Nat Commun, 8, 2017
7M4U
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BU of 7m4u by Molmil
A. baumannii Ribosome-Eravacycline complex: 30S
分子名称: 16s Ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者Morgan, C.E, Yu, E.W.
登録日2021-03-22
公開日2021-05-19
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.71 Å)
主引用文献Cryo-EM Determination of Eravacycline-Bound Structures of the Ribosome and the Multidrug Efflux Pump AdeJ of Acinetobacter baumannii.
Mbio, 12, 2021
7M4Z
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BU of 7m4z by Molmil
A. baumannii Ribosome-Eravacycline complex: hpf-bound 70S
分子名称: 16s Ribosomal RNA, 23s ribosomal RNA, 30S ribosomal protein S10, ...
著者Morgan, C.E, Yu, E.W.
登録日2021-03-22
公開日2021-05-19
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.92 Å)
主引用文献Cryo-EM Determination of Eravacycline-Bound Structures of the Ribosome and the Multidrug Efflux Pump AdeJ of Acinetobacter baumannii.
Mbio, 12, 2021
7M4V
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BU of 7m4v by Molmil
A. baumannii Ribosome-Eravacycline complex: 50S
分子名称: 23s ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
著者Morgan, C.E, Yu, E.W.
登録日2021-03-22
公開日2021-05-19
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.54 Å)
主引用文献Cryo-EM Determination of Eravacycline-Bound Structures of the Ribosome and the Multidrug Efflux Pump AdeJ of Acinetobacter baumannii.
Mbio, 12, 2021
7M4X
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BU of 7m4x by Molmil
A. baumannii Ribosome-Eravacycline complex: P-site tRNA 70S
分子名称: 16s Ribosomal RNA, 23s ribosomal RNA, 30S ribosomal protein S10, ...
著者Morgan, C.E, Yu, E.W.
登録日2021-03-22
公開日2021-05-19
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.66 Å)
主引用文献Cryo-EM Determination of Eravacycline-Bound Structures of the Ribosome and the Multidrug Efflux Pump AdeJ of Acinetobacter baumannii.
Mbio, 12, 2021
7M4W
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BU of 7m4w by Molmil
A. baumannii Ribosome-Eravacycline complex: Empty 70S
分子名称: 16s Ribosomal RNA, 23s ribosomal RNA, 30S ribosomal protein S10, ...
著者Morgan, C.E, Yu, E.W.
登録日2021-03-22
公開日2021-05-19
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.55 Å)
主引用文献Cryo-EM Determination of Eravacycline-Bound Structures of the Ribosome and the Multidrug Efflux Pump AdeJ of Acinetobacter baumannii.
Mbio, 12, 2021
7M4Y
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BU of 7m4y by Molmil
A. baumannii Ribosome-Eravacycline complex: E-site tRNA 70S
分子名称: 16s Ribosomal RNA, 23s ribosomal RNA, 30S ribosomal protein S10, ...
著者Morgan, C.E, Yu, E.W.
登録日2021-03-22
公開日2021-05-19
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Cryo-EM Determination of Eravacycline-Bound Structures of the Ribosome and the Multidrug Efflux Pump AdeJ of Acinetobacter baumannii.
Mbio, 12, 2021
4ZT5
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BU of 4zt5 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (2S)-N-(3,5-dichlorobenzyl)-N'-(1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropane-1,3-diamine (Chem 1655)
分子名称: (2S)-N-(3,5-dichlorobenzyl)-N'-(1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropane-1,3-diamine, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Koh, C.-Y, Hol, W.G.J.
登録日2015-05-14
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献5-Fluoroimidazo[4,5-b]pyridine Is a Privileged Fragment That Conveys Bioavailability to Potent Trypanosomal Methionyl-tRNA Synthetase Inhibitors.
Acs Infect Dis., 2, 2016
4ZT3
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BU of 4zt3 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor N-(3,5-dichlorobenzyl)-N'-(5-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine (Chem 1614)
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, METHIONINE, ...
著者Koh, C.-Y, Hol, W.G.J.
登録日2015-05-14
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献5-Fluoroimidazo[4,5-b]pyridine Is a Privileged Fragment That Conveys Bioavailability to Potent Trypanosomal Methionyl-tRNA Synthetase Inhibitors.
Acs Infect Dis., 2, 2016
4ZT4
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BU of 4zt4 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitorN-(3,5-dichlorobenzyl)-2,2-difluoro-N'-(1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine (Chem 1708)
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, METHIONINE, ...
著者Koh, C.-Y, Hol, W.G.J.
登録日2015-05-14
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献5-Fluoroimidazo[4,5-b]pyridine Is a Privileged Fragment That Conveys Bioavailability to Potent Trypanosomal Methionyl-tRNA Synthetase Inhibitors.
Acs Infect Dis., 2, 2016
4ZT6
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BU of 4zt6 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor N-[(4R)-6,8-dichloro-3,4-dihydro-2H-chromen-4-yl]-N'-(5-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine (Chem 1709)
分子名称: DIMETHYL SULFOXIDE, METHIONINE, Methionyl-tRNA synthetase, ...
著者Koh, C.-Y, Hol, W.G.J.
登録日2015-05-14
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献5-Fluoroimidazo[4,5-b]pyridine Is a Privileged Fragment That Conveys Bioavailability to Potent Trypanosomal Methionyl-tRNA Synthetase Inhibitors.
Acs Infect Dis., 2, 2016
4ZT7
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BU of 4zt7 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor N-[(4R)-6,8-dichloro-1,2,3,4-tetrahydroquinolin-4-yl]-N'-(5-fluoro-3H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine (Chem 1717)
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, METHIONINE, ...
著者Koh, C.-Y, Hol, W.G.J.
登録日2015-05-14
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献5-Fluoroimidazo[4,5-b]pyridine Is a Privileged Fragment That Conveys Bioavailability to Potent Trypanosomal Methionyl-tRNA Synthetase Inhibitors.
Acs Infect Dis., 2, 2016
4ZT2
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BU of 4zt2 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor N-(3,5-dichlorobenzyl)-N'-(1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine (Chem 1575)
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, METHIONINE, ...
著者Koh, C.-Y, Hol, W.G.J.
登録日2015-05-14
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献5-Fluoroimidazo[4,5-b]pyridine Is a Privileged Fragment That Conveys Bioavailability to Potent Trypanosomal Methionyl-tRNA Synthetase Inhibitors.
Acs Infect Dis., 2, 2016
4Z4P
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BU of 4z4p by Molmil
Structure of the MLL4 SET Domain
分子名称: Histone-lysine N-methyltransferase 2D, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION
著者Zhang, Z, Mittal, A, Reid, J, Reich, S, Gamblin, S.J, Wilson, J.R.
登録日2015-04-02
公開日2015-09-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Evolving Catalytic Properties of the MLL Family SET Domain.
Structure, 23, 2015
6CML
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BU of 6cml by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (Chem 2093)
分子名称: 1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2-chloro-4-methoxyphenyl)methyl]-3-ethyl-1,3-dihydro-2H-imidazol-2-one, GLYCEROL, METHIONINE, ...
著者Barros-Alvarez, X, Hol, W.G.J.
登録日2018-03-05
公開日2019-03-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure-guided discovery of selective methionyl-tRNA synthetase inhibitors with potent activity against Trypanosoma brucei
Rsc Med Chem, 11, 2020
5H4I
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BU of 5h4i by Molmil
Unlinked NS2B-NS3 Protease from Zika Virus in complex with a compound fragment
分子名称: ACETATE ION, NS2B cofactor, NS3 protease, ...
著者Zhang, Z.Z, Li, Y.
登録日2016-10-31
公開日2016-12-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.004 Å)
主引用文献Crystal structure of unlinked NS2B-NS3 protease from Zika virus
Science, 354, 2016
5GPI
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BU of 5gpi by Molmil
Crystal Structures of Unlinked NS2B-NS3 Protease from Zika Virus and Its Complex with a Reverse Peptide Inhibitor
分子名称: NS2B cofactor, NS3 protease
著者Phoo, W.W, Zhang, Z.Z.
登録日2016-08-02
公開日2016-12-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.578 Å)
主引用文献Crystal structure of unlinked NS2B-NS3 protease from Zika virus
Science, 354, 2016
7VJL
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BU of 7vjl by Molmil
The crystal structure of FGFR4 kinase domain in complex with N-(5-cyano-4-((2-methoxyethyl)amino)pyridin-2-yl)-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxamide
分子名称: Fibroblast growth factor receptor 4, N-[5-(aminomethyl)-4-(2-methoxyethylamino)pyridin-2-yl]-7-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
著者Zhang, Z.M, Wang, Y.J.
登録日2021-09-28
公開日2022-02-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.900173 Å)
主引用文献Characterization of an aromatic trifluoromethyl ketone as a new warhead for covalently reversible kinase inhibitor design.
Bioorg.Med.Chem., 50, 2021
5V5F
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Crystal structure of RICE1 (PNT2)
分子名称: At3g11770
著者Li, P.
登録日2017-03-14
公開日2017-09-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.945 Å)
主引用文献RISC-interacting clearing 3'- 5' exoribonucleases (RICEs) degrade uridylated cleavage fragments to maintain functional RISC in Arabidopsis thaliana.
Elife, 6, 2017
5WVZ
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BU of 5wvz by Molmil
The crystal structure of Cren7 mutant L28F in complex with dsDNA
分子名称: Chromatin protein Cren7, DNA (5'-D(*GP*CP*GP*AP*TP*CP*GP*C)-3')
著者Zhang, Z.F, Zhao, M.H, Wang, L, Chen, Y.Y, Dong, Y.H, Gong, Y, Huang, L.
登録日2016-12-30
公開日2017-04-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Roles of Leu28 side chain intercalation in the interaction between Cren7 and DNA
Biochem. J., 474, 2017

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