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5JSG
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BU of 5jsg by Molmil
Crystal structure of Spindlin1 bound to compound EML405
分子名称: CHLORIDE ION, MAGNESIUM ION, Spindlin-1, ...
著者Su, X, Li, H.
登録日2016-05-08
公開日2017-05-10
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Developing Spindlin1 small-molecule inhibitors by using protein microarrays
Nat. Chem. Biol., 13, 2017
5JSJ
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BU of 5jsj by Molmil
Crystal structure of Spindlin1 bound to compound EML631
分子名称: CHLORIDE ION, MAGNESIUM ION, Spindlin-1, ...
著者Su, X, Li, H.
登録日2016-05-08
公開日2017-05-24
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.348 Å)
主引用文献Developing Spindlin1 small-molecule inhibitors by using protein microarrays
Nat. Chem. Biol., 13, 2017
5DER
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BU of 5der by Molmil
RNA oligonucleotide containing (R)-C5'-ME-2'F U
分子名称: RNA oligonucleotide containing (R)-C5'-Me-2'-FU
著者Harp, J.M, Egli, M.
登録日2015-08-25
公開日2016-06-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Basis of Duplex Thermodynamic Stability and Enhanced Nuclease Resistance of 5'-C-Methyl Pyrimidine-Modified Oligonucleotides.
J.Org.Chem., 81, 2016
6ECH
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BU of 6ech by Molmil
Pyruvate Kinase Isoform L-type with phosphorylated Ser12 (pS12) in complex with FBP
分子名称: 1,2-ETHANEDIOL, 1,6-di-O-phosphono-beta-D-fructofuranose, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Padyana, A, Tong, S.
登録日2018-08-07
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Distinct Hepatic PKA and CDK Signaling Pathways Control Activity-Independent Pyruvate Kinase Phosphorylation and Hepatic Glucose Production.
Cell Rep, 29, 2019
8H97
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BU of 8h97 by Molmil
GH86 agarase Aga86A_Wa
分子名称: Beta-agarase, CALCIUM ION, HEXAETHYLENE GLYCOL
著者Zhang, Y.Y, Dong, S, Feng, Y.G, Chang, Y.G.
登録日2022-10-25
公開日2023-02-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.194 Å)
主引用文献Structural characterization on a beta-agarase Aga86A_Wa from Wenyingzhuangia aestuarii reveals the prevalent methyl-galactose accommodation capacity of GH86 enzymes at subsite -1.
Carbohydr Polym, 306, 2023
7DPP
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BU of 7dpp by Molmil
SARS-CoV-2 3CL protease (3CLpro) in complex with myricetin
分子名称: 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, 3C-like proteinase
著者Su, H.X, Zhao, W.F, Xie, H, Li, M.J, Xu, Y.C.
登録日2020-12-21
公開日2021-05-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Identification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease.
Nat Commun, 12, 2021
7DPU
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BU of 7dpu by Molmil
SARS-CoV-2 3CL protease (3CLpro) in complex with 7-O-methyl-myricetin
分子名称: 3C-like proteinase, 7-methoxy-3,5-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one, GLYCEROL
著者Su, H.X, Zhao, W.F, Xie, H, Li, M.J, Xu, Y.C.
登録日2020-12-21
公開日2021-05-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Identification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease.
Nat Commun, 12, 2021
5D8T
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BU of 5d8t by Molmil
RNA octamer containing (S)-5' methyl, 2'-F U.
分子名称: COBALT HEXAMMINE(III), RNA oligonucleotide containing (S)-C5'-Me-2'-FU
著者Harp, J.M, Egli, M.
登録日2015-08-17
公開日2016-06-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural Basis of Duplex Thermodynamic Stability and Enhanced Nuclease Resistance of 5'-C-Methyl Pyrimidine-Modified Oligonucleotides.
J.Org.Chem., 81, 2016
7DNO
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BU of 7dno by Molmil
Characterization of Peptide Ligands Against WDR5 Isolated Using Phage Display Technique
分子名称: CYS-ARG-THR-LEU-PRO-PHE, WD repeat-containing protein 5
著者Cao, J, Cao, D, Xiong, B, Li, Y, Fan, T.
登録日2020-12-10
公開日2021-02-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Phage-Display Based Discovery and Characterization of Peptide Ligands against WDR5.
Molecules, 26, 2021
5AA3
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BU of 5aa3 by Molmil
Crystal structure of MltF from Pseudomonas aeruginosa in the presence of tetrasaccharide and tetrapeptide
分子名称: GLUTAMIC ACID, MEMBRANE-BOUND LYTIC MUREIN TRANSGLYCOSYLASE F
著者Dominguez-Gil, T, Acebron, I, Hermoso, J.A.
登録日2015-07-23
公開日2016-10-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Activation by Allostery in Cell-Wall Remodeling by a Modular Membrane-Bound Lytic Transglycosylase from Pseudomonas aeruginosa.
Structure, 24, 2016
6ECK
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BU of 6eck by Molmil
Pyruvate Kinase Isoform L-type with phosphorylated Ser113 (pS113) in complex with FBP
分子名称: 1,2-ETHANEDIOL, 1,6-di-O-phosphono-beta-D-fructofuranose, CITRATE ANION, ...
著者Padyana, A, Tong, S.
登録日2018-08-08
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Distinct Hepatic PKA and CDK Signaling Pathways Control Activity-Independent Pyruvate Kinase Phosphorylation and Hepatic Glucose Production.
Cell Rep, 29, 2019
6E1J
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BU of 6e1j by Molmil
Crystal Structure of Methylthioalkylmalate Synthase (BjuMAM1.1) from Brassica juncea
分子名称: 2-isopropylmalate synthase, A genome specific 1, 4-(METHYLSULFANYL)-2-OXOBUTANOIC ACID, ...
著者Lee, S.G, Jez, J.M.
登録日2018-07-09
公開日2019-05-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.096 Å)
主引用文献Molecular Basis of the Evolution of Methylthioalkylmalate Synthase and the Diversity of Methionine-Derived Glucosinolates.
Plant Cell, 31, 2019
4K91
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BU of 4k91 by Molmil
Crystal structure of Penicillin-Binding Protein 5 (PBP5) from Pseudomonas aeruginosa in apo state
分子名称: D-ala-D-ala-carboxypeptidase, SUCCINIC ACID
著者Smith, J, Toth, M, Vakulenko, S, Mobashery, S, Chen, Y.
登録日2013-04-19
公開日2013-09-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural analysis of the role of Pseudomonas aeruginosa penicillin-binding protein 5 in beta-lactam resistance.
Antimicrob.Agents Chemother., 57, 2013
4R3M
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BU of 4r3m by Molmil
Crystal structure of Human Hsp90 with JR9
分子名称: Heat shock protein HSP 90-alpha, N~3~-benzyl-2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]imidazo[1,2-a]pyrazine-3,8-diamine
著者Li, J, Yang, M, Ren, J, Xiong, B, He, J.
登録日2014-08-16
公開日2014-11-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Multi-substituted 8-aminoimidazo[1,2-a]pyrazines by Groebke-Blackburn-Bienayme reaction and their Hsp90 inhibitory activity.
Org.Biomol.Chem., 13, 2015
8GZJ
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BU of 8gzj by Molmil
Crystal structure of Cd2+-bound DNA aptamer
分子名称: 25-mer DNA, BARIUM ION, CADMIUM ION
著者Gan, J.H, Liu, H.H, Gao, Y.Q.
登録日2022-09-27
公開日2023-08-09
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.093 Å)
主引用文献Crystal structures and identification of novel Cd2+-specific DNA aptamer.
Nucleic Acids Res., 51, 2023
8GZL
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BU of 8gzl by Molmil
Crystal structure of Cd2+-bound DNA aptamer
分子名称: 25-mer DNA, BARIUM ION, CADMIUM ION
著者Gan, J.H, Liu, H.H, Gao, Y.Q.
登録日2022-09-27
公開日2023-08-09
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structures and identification of novel Cd2+-specific DNA aptamer.
Nucleic Acids Res., 51, 2023
8GZK
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BU of 8gzk by Molmil
Crystal structure of Cd2+-bound DNA aptamer T10A mutant
分子名称: 25-mer DNA, BARIUM ION, CADMIUM ION
著者Gan, J.H, Liu, H.H, Gao, Y.Q.
登録日2022-09-27
公開日2023-08-09
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Crystal structures and identification of novel Cd2+-specific DNA aptamer.
Nucleic Acids Res., 51, 2023
4RVZ
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BU of 4rvz by Molmil
Crystal structure of tRNA fluorescent labeling enzyme
分子名称: MAGNESIUM ION, N-(4-aminobutyl)-2-azidoacetamide, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
著者Dong, J, Li, F, Wang, J, Gong, W.
登録日2014-11-29
公開日2015-03-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A covalent approach for site-specific RNA labeling in Mammalian cells.
Angew.Chem.Int.Ed.Engl., 54, 2015
4TV6
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BU of 4tv6 by Molmil
Crystal Structure of Citrate Synthase Variant SbnG E151Q
分子名称: 2-dehydro-3-deoxyglucarate aldolase, OXALOACETATE ION
著者Kobylarz, M.J, Grigg, J.C, Murphy, M.E.P.
登録日2014-06-26
公開日2014-10-29
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献SbnG, a Citrate Synthase in Staphylococcus aureus: A NEW FOLD ON AN OLD ENZYME.
J.Biol.Chem., 289, 2014
4UMX
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BU of 4umx by Molmil
IDH1 R132H in complex with cpd 1
分子名称: 2,6-bis(1H-imidazol-1-ylmethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol, GLYCEROL, ISOCITRATE DEHYDROGENASE [NADP] CYTOPLASMIC, ...
著者Mathieu, M, Marquette, J.P.
登録日2014-05-22
公開日2014-11-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Selective Inhibition of Mutant Isocitrate Dehydrogenase 1 (Idh1) Via Disruption of a Metal Binding Network by an Allosteric Small Molecule.
J.Biol.Chem., 290, 2015
8FPT
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BU of 8fpt by Molmil
STRUCTURE OF ALPHA-SYNUCLEIN FIBRILS DERIVED FROM HUMAN LEWY BODY DEMENTIA TISSUE
分子名称: Alpha-synuclein
著者Barclay, A.M, Dhavale, D.D, Borcik, C.G, Rau, M.J, Basore, K, Milchberg, M.H, Warmuth, O.A, Kotzbauer, P.T, Rienstra, C.M, Schwieters, C.D.
登録日2023-01-05
公開日2023-02-22
最終更新日2024-05-15
実験手法SOLID-STATE NMR
主引用文献Structure of alpha-synuclein fibrils derived from human Lewy body dementia tissue.
Biorxiv, 2023
4UMY
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BU of 4umy by Molmil
IDH1 R132H in complex with cpd 1
分子名称: GLYCEROL, ISOCITRATE DEHYDROGENASE [NADP] CYTOPLASMIC, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者McLean, L, Zhang, Y, Mathieu, M.
登録日2014-05-22
公開日2014-11-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Selective Inhibition of Mutant Isocitrate Dehydrogenase 1 (Idh1) Via Disruption of a Metal Binding Network by an Allosteric Small Molecule.
J.Biol.Chem., 290, 2015
5A5X
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BU of 5a5x by Molmil
Crystal Structure of Se-Met MltF from Pseudomonas aeruginosa
分子名称: 1,2-ETHANEDIOL, MEMBRANE-BOUND LYTIC MUREIN TRANSGLYCOSYLASE F
著者Dominguez-Gil, T, Acebron, I, Hermoso, J.A.
登録日2015-06-23
公開日2016-10-12
最終更新日2017-03-22
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Activation by Allostery in Cell-Wall Remodeling by a Modular Membrane-Bound Lytic Transglycosylase from Pseudomonas aeruginosa.
Structure, 24, 2016
4TV5
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BU of 4tv5 by Molmil
Crystal Structure of Citrate Synthase SbnG
分子名称: 2-dehydro-3-deoxyglucarate aldolase, CALCIUM ION
著者Kobylarz, M.J, Grigg, J.C, Murphy, M.E.P.
登録日2014-06-25
公開日2014-10-29
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献SbnG, a Citrate Synthase in Staphylococcus aureus: A NEW FOLD ON AN OLD ENZYME.
J.Biol.Chem., 289, 2014
6FNQ
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BU of 6fnq by Molmil
Ergothioneine-biosynthetic methyltransferase EgtD in complex with N,N,N-trimethylhistidine (hercynine)
分子名称: GLYCEROL, Histidine N-alpha-methyltransferase, MAGNESIUM ION, ...
著者Vit, A, Blankenfeldt, W, Seebeck, F.P.
登録日2018-02-05
公開日2018-06-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Inhibition and Regulation of the Ergothioneine Biosynthetic Methyltransferase EgtD.
ACS Chem. Biol., 13, 2018

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