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6PRV
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BU of 6prv by Molmil
58nt RNA L11-binding domain from E. coli 23S rRNA
分子名称: 23S rRNA, MAGNESIUM ION, POTASSIUM ION
著者Conn, G.L, Dunstan, M.S.
登録日2019-07-11
公開日2020-01-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Ribosomal Protein L11 Selectively Stabilizes a Tertiary Structure of the GTPase Center rRNA Domain.
J.Mol.Biol., 432, 2020
6YDV
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BU of 6ydv by Molmil
Crystal Structure of the Jmjc Domain of Human JMJD1B in complex with FM001511a from the DSPL fragment library
分子名称: CHLORIDE ION, JMJD1B protein, MANGANESE (II) ION, ...
著者Snee, M, Nowak, R, Johansson, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U.
登録日2020-03-21
公開日2020-05-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Crystal Structure of the Jmjc Domain of Human JMJD1B in complex with FM001511a from the DSPL fragment library
To Be Published
6J5L
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BU of 6j5l by Molmil
Crystal structure of Trk-A in complex with the Pan-Trk Kinase Inhibitor, compound 10e
分子名称: High affinity nerve growth factor receptor, N-{2-[({3-[6-(piperazin-1-yl)pyridin-3-yl]-1H-indazol-5-yl}amino)methyl]phenyl}methanesulfonamide
著者Kensuke, A, Kazutaka, I.
登録日2019-01-11
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The discovery of novel 3-aryl-indazole derivatives as peripherally restricted pan-Trk inhibitors for the treatment of pain.
Bioorg.Med.Chem.Lett., 29, 2019
3T28
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BU of 3t28 by Molmil
TMAO-grown trypsin (bovine)-previously unreported tetragonal crystal form
分子名称: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
著者Cahn, J, Venkat, M, Saxby, S, Juers, D.
登録日2011-07-22
公開日2011-12-28
最終更新日2018-03-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The use of trimethylamine N-oxide as a primary precipitating agent and related methylamine osmolytes as cryoprotective agents for macromolecular crystallography.
Acta Crystallogr.,Sect.D, 68, 2012
3T2I
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BU of 3t2i by Molmil
Tetragonal thermolysin in the presence of sarcosine
分子名称: CALCIUM ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Cahn, J, Hti Lar Seng, N.S, Juers, D.
登録日2011-07-22
公開日2011-12-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The use of trimethylamine N-oxide as a primary precipitating agent and related methylamine osmolytes as cryoprotective agents for macromolecular crystallography.
Acta Crystallogr.,Sect.D, 68, 2012
3T2H
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BU of 3t2h by Molmil
Tetragonal thermolysin in the presence of TMAO
分子名称: CALCIUM ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Cahn, J, Hti Lar Seng, N.S, Juers, D.
登録日2011-07-22
公開日2011-12-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The use of trimethylamine N-oxide as a primary precipitating agent and related methylamine osmolytes as cryoprotective agents for macromolecular crystallography.
Acta Crystallogr.,Sect.D, 68, 2012
4IRO
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BU of 4iro by Molmil
Crystal structure of T-state carbonmonoxy hemoglobin from Trematomus bernacchii at pH 8.4
分子名称: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
著者Merlino, A, Balsamo, A, Mazzarella, L, Vergara, A.
登録日2013-01-15
公開日2013-02-20
最終更新日2013-10-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Role of tertiary structures on the Root effect in fish hemoglobins.
Biochim.Biophys.Acta, 1834, 2013
5UI4
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BU of 5ui4 by Molmil
Structure of NME1 covalently conjugated to imidazole fluorosulfate
分子名称: 4-[4-(3-methoxyphenyl)-1-(prop-2-yn-1-yl)-1H-imidazol-5-yl]phenyl sulfurofluoridate, Nucleoside diphosphate kinase A
著者Mortenson, D.E, Brighty, G.J, Wilson, I.A, Kelly, J.W.
登録日2017-01-12
公開日2018-01-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献"Inverse Drug Discovery" Strategy To Identify Proteins That Are Targeted by Latent Electrophiles As Exemplified by Aryl Fluorosulfates.
J. Am. Chem. Soc., 140, 2018
8UB6
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BU of 8ub6 by Molmil
Crystal Structure of a reconstructed Kaede-type Red Fluorescent Protein, LEA H62X, containing 3-methylhistidine at position 62
分子名称: LEAST EVOLVED ANCESTOR (LEA) GFP-LIKE PROTEINS
著者Henderson, J.N, Mills, J.H.
登録日2023-09-22
公開日2023-11-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Capturing excited-state structural snapshots of evolutionary green-to-red photochromic fluorescent proteins.
Front Chem, 11, 2023
6Z5T
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BU of 6z5t by Molmil
SARS-CoV-2 Macrodomain in complex with ADP-ribose
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, Replicase polyprotein 1ab, SODIUM ION
著者Zorzini, V, Rack, J, Ahel, I.
登録日2020-05-27
公開日2020-12-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.571 Å)
主引用文献Viral macrodomains: a structural and evolutionary assessment of the pharmacological potential.
Open Biology, 10, 2020
6YV4
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BU of 6yv4 by Molmil
STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRROLE-3-CARBOXYLIC ACID FRAGMENT 686
分子名称: 1,2-ETHANEDIOL, 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Hillier, J, Ruza, R.R, Jones, E.Y.
登録日2020-04-27
公開日2020-05-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity.
J.Med.Chem., 63, 2020
3T29
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BU of 3t29 by Molmil
TMAO-grown trigonal trypsin (bovine)
分子名称: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
著者Cahn, J, Venkat, M, Marshall, H, Juers, D.
登録日2011-07-22
公開日2011-12-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The use of trimethylamine N-oxide as a primary precipitating agent and related methylamine osmolytes as cryoprotective agents for macromolecular crystallography.
Acta Crystallogr.,Sect.D, 68, 2012
3T2J
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BU of 3t2j by Molmil
Tetragonal thermolysin in the presence of betaine
分子名称: CALCIUM ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Cahn, J, Hti Lar Seng, N.S, Juers, D.
登録日2011-07-22
公開日2011-12-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The use of trimethylamine N-oxide as a primary precipitating agent and related methylamine osmolytes as cryoprotective agents for macromolecular crystallography.
Acta Crystallogr.,Sect.D, 68, 2012
6Z6I
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BU of 6z6i by Molmil
SARS-CoV-2 Macrodomain in complex with ADP-HPD
分子名称: 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, 5'-O-[(S)-{[(S)-{[(2R,3R,4S)-3,4-DIHYDROXYPYRROLIDIN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]ADENOSINE, ...
著者Zorzini, V, Rack, J, Ahel, I.
登録日2020-05-28
公開日2020-12-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Viral macrodomains: a structural and evolutionary assessment of the pharmacological potential.
Open Biology, 10, 2020
4GCX
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BU of 4gcx by Molmil
tRNA-guanine transglycosylase Y106F, C158V, V233G mutant in complex with preQ1
分子名称: 7-DEAZA-7-AMINOMETHYL-GUANINE, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
著者Schmidt, I, Tidten-Luksch, N, Heine, A, Reuter, K, Klebe, G.
登録日2012-07-31
公開日2012-08-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Investigation of Specificity Determinants in Bacterial tRNA-Guanine Transglycosylase Reveals Queuine, the Substrate of Its Eucaryotic Counterpart, as Inhibitor.
Plos One, 8, 2013
4G93
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BU of 4g93 by Molmil
CRYSTAL STRUCTURE OF THE HUMAN HEPATITIS B VIRUS T = 4 CAPSID, ADYW STRAIN, in COMPLEX WITH THE PHENYLPROPENAMIDE ASSEMBLY ACCELERATOR AT-130
分子名称: Capsid protein, N-[(1E)-1-bromo-1-(2-methoxyphenyl)-3-oxo-3-(piperidin-1-yl)prop-1-en-2-yl]-4-nitrobenzamide
著者Katen, S.P, Zlotnick, A.
登録日2012-07-23
公開日2013-07-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (4.2 Å)
主引用文献Assembly-directed antivirals differentially bind quasiequivalent pockets to modify hepatitis B virus capsid tertiary and quaternary structure.
Structure, 21, 2013
6ZE8
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BU of 6ze8 by Molmil
Crystal structure of human chitotriosidase-1 (hCHIT) catalytic domain in complex with compound OATD-01
分子名称: 5-(4-((2S,5S)-5-(4-chlorobenzyl)-2-methylmorpholino)piperidin-1-yl)-4H-1,2,4-triazol-3-amine, Chitotriosidase-1, GLYCEROL, ...
著者Nowotny, M, Bartlomiejczak, A, Napiorkowska-Gromadzka, A.
登録日2020-06-16
公開日2020-11-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of OATD-01 , a First-in-Class Chitinase Inhibitor as Potential New Therapeutics for Idiopathic Pulmonary Fibrosis.
J.Med.Chem., 63, 2020
5YUA
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BU of 5yua by Molmil
Crystal structure of voltage-gated sodium channel NavAb in high-pH condition
分子名称: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, CHAPSO, ...
著者Irie, K, Shimomura, T, Fujiyoshi, Y.
登録日2017-11-21
公開日2017-12-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.80085564 Å)
主引用文献Structural insight on the voltage dependence of prokaryotic voltage gated sodium channel NavAb.
FEBS Lett., 2017
5YUC
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BU of 5yuc by Molmil
Crystal structure of voltage-gated sodium channel NavAb N49K mutant
分子名称: CALCIUM ION, CHAPSO, DODECYL-BETA-D-MALTOSIDE, ...
著者Irie, K, Shimomura, T, Fujiyoshi, Y.
登録日2017-11-21
公開日2017-12-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.40099168 Å)
主引用文献Structural insight on the voltage dependence of prokaryotic voltage gated sodium channel NavAb.
FEBS Lett., 2017
1JQZ
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BU of 1jqz by Molmil
Human Acidic Fibroblast Growth Factor. 141 Amino Acid Form with Amino Terminal His Tag.
分子名称: FORMIC ACID, acidic fibroblast growth factor
著者Brych, S.R, Blaber, S.I, Logan, T.M, Blaber, M.
登録日2001-08-09
公開日2001-12-19
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure and stability effects of mutations designed to increase the primary sequence symmetry within the core region of a beta-trefoil.
Protein Sci., 10, 2001
3TEG
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BU of 3teg by Molmil
Bacterial and Eukaryotic Phenylalanyl-tRNA Synthetases Catalyze Misaminoacylation of tRNAPhe with 3,4-Dihydroxy-L-Phenylalanine (L-Dopa)
分子名称: 3,4-DIHYDROXYPHENYLALANINE, Phenylalanyl-tRNA synthetase, mitochondrial
著者Moor, N, Klipcan, L, Safro, M.
登録日2011-08-14
公開日2011-11-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2044 Å)
主引用文献Bacterial and Eukaryotic Phenylalanyl-tRNA Synthetases Catalyze Misaminoacylation of tRNA(Phe) with 3,4-Dihydroxy-L-Phenylalanine.
Chem.Biol., 18, 2011
6QSI
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BU of 6qsi by Molmil
Pseudomonas fluorescens Pf-5 thiamine diphosphate-dependent 4-hydroxybenzoylformate decarboxylase
分子名称: 1,2-ETHANEDIOL, Benzoylformate decarboxylase, SODIUM ION, ...
著者Wilkinson, R.C, Fulop, V.
登録日2019-02-20
公開日2020-01-08
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Characterization of Thiamine Diphosphate-Dependent 4-Hydroxybenzoylformate Decarboxylase Enzymes fromRhodococcus jostiiRHA1 andPseudomonas fluorescensPf-5 Involved in Degradation of Aryl C2Lignin Degradation Fragments.
Biochemistry, 58, 2019
3TWM
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BU of 3twm by Molmil
Crystal structure of Arabidopsis thaliana FPG
分子名称: 5'-D(*AP*GP*CP*GP*TP*CP*CP*AP*(3DR)P*GP*TP*CP*TP*AP*CP*C)-3', 5'-D(*TP*GP*GP*TP*AP*GP*AP*CP*GP*TP*GP*GP*AP*CP*GP*C)-3', Formamidopyrimidine-DNA glycosylase 1
著者Duclos, S, Aller, P, Wallace, S.S, Doublie, S.
登録日2011-09-22
公開日2012-07-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural and biochemical studies of a plant formamidopyrimidine-DNA glycosylase reveal why eukaryotic Fpg glycosylases do not excise 8-oxoguanine.
Dna Repair, 11, 2012
5YUB
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BU of 5yub by Molmil
Crystal structure of voltage-gated sodium channel NavAb E32Q mutant
分子名称: CALCIUM ION, CHAPSO, DODECYL-BETA-D-MALTOSIDE, ...
著者Irie, K, Shimomura, T, Fujiyoshi, Y.
登録日2017-11-21
公開日2017-12-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.40004 Å)
主引用文献Structural insight on the voltage dependence of prokaryotic voltage gated sodium channel NavAb.
FEBS Lett., 2017
2UYT
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BU of 2uyt by Molmil
Structure of L-rhamnulose kinase in complex with ADP and beta-L- rhamnulose.
分子名称: 6-deoxy-beta-L-fructofuranose, ADENOSINE-5'-DIPHOSPHATE, RHAMNULOKINASE
著者Grueninger, D, Schulz, G.E.
登録日2007-04-13
公開日2007-06-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Substrate Spectrum of L-Rhamnulose Kinase Related to Models Derived from Two Ternary Complex Structures.
FEBS Lett., 581, 2007

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件を2024-08-07に公開中

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