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5CLO
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BU of 5clo by Molmil
Crystal structure of a 4-oxalocrotonate tautomerase mutant in complex with nitrostyrene at 2.3 Angstrom
分子名称: 2-hydroxymuconate tautomerase, trans beta nitrostyrene
著者Thunnissen, A.M.W.H, Poddar, H.
登録日2015-07-16
公開日2016-03-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Using mutability landscapes of a promiscuous tautomerase to guide the engineering of enantioselective Michaelases.
Nat Commun, 7, 2016
5YKF
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BU of 5ykf by Molmil
Structure of pancreatic ATP-sensitive potassium channel bound with glibenclamide and ATPgammaS (3D class1 at 4.33A)
分子名称: 5-chloro-N-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide, ATP-binding cassette sub-family C member 8 isoform X2, ATP-sensitive inward rectifier potassium channel 11, ...
著者Chen, L, Wu, J.X.
登録日2017-10-14
公開日2018-04-18
最終更新日2019-11-06
実験手法ELECTRON MICROSCOPY (4.33 Å)
主引用文献Ligand binding and conformational changes of SUR1 subunit in pancreatic ATP-sensitive potassium channels.
Protein Cell, 9, 2018
6PC7
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BU of 6pc7 by Molmil
E. coli 50S ribosome bound to compound 46
分子名称: (2R)-2-[(3S,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-4,12-dimethyl-1,7,22-trioxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate, 23S ribosomal RNA, 50S ribosomal protein L13, ...
著者Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
登録日2019-06-16
公開日2020-06-17
最終更新日2020-10-07
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Synthetic group A streptogramin antibiotics that overcome Vat resistance.
Nature, 586, 2020
6PEG
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BU of 6peg by Molmil
MIF with a allosteric inhibitor
分子名称: 4-amino-5-hydroxy-6-[(E)-(3-{[3-(2-methylpropanoyl)pyrazolo[1,5-a]pyridin-2-yl]methyl}phenyl)diazenyl]naphthalene-1,3-disulfonic acid, ACETATE ION, GLYCEROL, ...
著者Asojo, O.A.
登録日2019-06-20
公開日2019-11-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Inhibition of Macrophage Migration Inhibitory Factor by a Chimera of Two Allosteric Binders.
Acs Med.Chem.Lett., 11, 2020
6CG8
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BU of 6cg8 by Molmil
Structure of C. crescentus GapR-DNA
分子名称: DNA (5'-D(*TP*TP*AP*AP*AP*AP*TP*TP*AP*AP*A)-3'), DNA (5'-D(*TP*TP*TP*AP*AP*TP*TP*TP*TP*AP*A)-3'), UPF0335 protein B7Z12_12435
著者Schumacher, M.A.
登録日2018-02-19
公開日2018-09-26
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.299 Å)
主引用文献A Bacterial Chromosome Structuring Protein Binds Overtwisted DNA to Stimulate Type II Topoisomerases and Enable DNA Replication.
Cell, 175, 2018
7ESC
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BU of 7esc by Molmil
FmnB complexed with AMP
分子名称: ADENOSINE MONOPHOSPHATE, FAD:protein FMN transferase, MAGNESIUM ION
著者Cheng, W, Zheng, Y.H.
登録日2021-05-10
公開日2021-11-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.201 Å)
主引用文献Structural insights into the catalytic and inhibitory mechanisms of the flavin transferase FmnB in Listeria monocytogenes.
MedComm (2020), 3, 2022
6PNO
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BU of 6pno by Molmil
Human GSTO1-1 complexed with 2-chloro-N-(4-chloro-3-(N-isopropylsulfamoyl)phenyl)acetamide
分子名称: 2-chloro-N-{4-chloro-3-[(propan-2-yl)sulfamoyl]phenyl}acetamide, Glutathione S-transferase omega-1, L(+)-TARTARIC ACID, ...
著者Oakley, A.J.
登録日2019-07-02
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Development of Benzenesulfonamide Derivatives as Potent Glutathione Transferase Omega-1 Inhibitors.
J.Med.Chem., 63, 2020
4NQN
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BU of 4nqn by Molmil
Crystal Structure of the bromodomain of human BRD9 in complex with a triazolo-phthalazine ligand
分子名称: 2-chloro-N-[5-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-2-(morpholin-4-yl)phenyl]benzenesulfonamide, Bromodomain-containing protein 9
著者Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2013-11-25
公開日2013-12-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Crystal Structure of the bromodomain of human BRD9 in complex with a triazolo-phthalazine ligand
To be Published
7ESA
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BU of 7esa by Molmil
the complex structure of flavin transferase FmnB complexed with FAD
分子名称: FAD:protein FMN transferase, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION
著者Zheng, Y.H, Cheng, W.
登録日2021-05-09
公開日2021-11-03
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural insights into the catalytic and inhibitory mechanisms of the flavin transferase FmnB in Listeria monocytogenes.
MedComm (2020), 3, 2022
5XYA
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BU of 5xya by Molmil
Crystal structure of a serine protease from Streptococcus species
分子名称: 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, CALCIUM ION, Chemokine protease C, ...
著者Jobichen, C, Sivaraman, J.
登録日2017-07-06
公開日2018-08-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of ScpC, a virulence protease fromStreptococcus pyogenes, reveals the functional domains and maturation mechanism.
Biochem. J., 475, 2018
7ESB
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BU of 7esb by Molmil
FmnB complexed with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, FAD:protein FMN transferase, MAGNESIUM ION
著者Zheng, Y.H, Cheng, W.
登録日2021-05-09
公開日2021-11-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural insights into the catalytic and inhibitory mechanisms of the flavin transferase FmnB in Listeria monocytogenes.
MedComm (2020), 3, 2022
6YBG
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BU of 6ybg by Molmil
Structure of Mcl-1 in complex with compound 2g
分子名称: (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-(2-methoxyphenyl)propanoic acid, CHLORIDE ION, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Dokurno, P, Surgenor, A.E, Murray, J.B.
登録日2020-03-17
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of S64315, a Potent and Selective Mcl-1 Inhibitor.
J.Med.Chem., 63, 2020
7F39
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BU of 7f39 by Molmil
The structure of flavin transferase FmnB
分子名称: FAD:protein FMN transferase
著者Cheng, W, Zheng, Y.H.
登録日2021-06-15
公開日2021-11-03
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.888 Å)
主引用文献Structural insights into the catalytic and inhibitory mechanisms of the flavin transferase FmnB in Listeria monocytogenes.
MedComm (2020), 3, 2022
7F2U
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BU of 7f2u by Molmil
FmnB complexed with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, FAD:protein FMN transferase, MAGNESIUM ION
著者Cheng, W, Zheng, Y.H.
登録日2021-06-14
公開日2021-11-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.984 Å)
主引用文献Structural insights into the catalytic and inhibitory mechanisms of the flavin transferase FmnB in Listeria monocytogenes.
MedComm (2020), 3, 2022
6PC8
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BU of 6pc8 by Molmil
E. coli 50S ribosome bound to compound 40q
分子名称: (2R)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate, 23S ribosomal RNA, 50S ribosomal protein L13, ...
著者Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
登録日2019-06-16
公開日2020-06-17
最終更新日2020-10-07
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Synthetic group A streptogramin antibiotics that overcome Vat resistance.
Nature, 586, 2020
6YKK
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BU of 6ykk by Molmil
Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with Compound 15
分子名称: 1,2-ETHANEDIOL, Leucine--tRNA ligase, MAGNESIUM ION, ...
著者Pang, L, Strelkov, S.V, Weeks, S.D.
登録日2020-04-06
公開日2020-12-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.236 Å)
主引用文献Synthesis and structure-activity studies of novel anhydrohexitol-based Leucyl-tRNA synthetase inhibitors.
Eur.J.Med.Chem., 211, 2021
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
6YKV
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BU of 6ykv by Molmil
Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with Compound 11g
分子名称: 1,2-ETHANEDIOL, Leucine--tRNA ligase, MAGNESIUM ION, ...
著者Pang, L, Strelkov, S.V, Weeks, S.D.
登録日2020-04-06
公開日2020-12-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Synthesis and structure-activity studies of novel anhydrohexitol-based Leucyl-tRNA synthetase inhibitors.
Eur.J.Med.Chem., 211, 2021
6YLC
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BU of 6ylc by Molmil
Biochemical, Cellular and Structural Characterization of Novel ERK3 Inhibitors
分子名称: 5-fluoranyl-2-[5-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]benzenecarbonitrile, Mitogen-activated protein kinase 6
著者Graedler, U.
登録日2020-04-07
公開日2020-09-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Biochemical, cellular and structural characterization of novel and selective ERK3 inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
5Y65
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BU of 5y65 by Molmil
Phosphoglycerate mutase 1 complexed with a small molecule inhibitor KH2
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Phosphoglycerate mutase 1, ...
著者Jiang, L.L, Zhou, L.
登録日2017-08-10
公開日2018-12-05
実験手法X-RAY DIFFRACTION (2.554 Å)
主引用文献Phosphoglycerate mutase 1 complexed with a small molecule inhibitor KH2
To Be Published
6PFV
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BU of 6pfv by Molmil
Structure of S. venezuelae RisG-WhiG-c-di-GMP complex: orthorhombic crystal form
分子名称: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), AmfC protein, RNA polymerase sigma factor
著者Schumacher, M.A.
登録日2019-06-22
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献c-di-GMP Arms an Anti-sigma to Control Progression of Multicellular Differentiation in Streptomyces.
Mol.Cell, 77, 2020
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
6YFY
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BU of 6yfy by Molmil
Solid-state NMR structure of the D-Arg4,L10-teixobactin - Lipid II complex in lipid bilayers.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-alpha-muramic acid, 3-methylbut-2-en-1-ol, D-Arg4,Leu10-Teixobactin, ...
著者Weingarth, M.H, Shukla, R.
登録日2020-03-26
公開日2020-06-10
最終更新日2024-08-07
実験手法SOLID-STATE NMR
主引用文献Mode of action of teixobactins in cellular membranes.
Nat Commun, 11, 2020
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
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

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件を2024-08-07に公開中

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