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7OI6
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BU of 7oi6 by Molmil
Cryo-EM structure of late human 39S mitoribosome assembly intermediates, state 1
分子名称: 16S rRNA, 39S ribosomal protein L10, mitochondrial, ...
著者Cheng, J, Berninghausen, O, Beckmann, R.
登録日2021-05-11
公開日2021-10-13
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (5.7 Å)
主引用文献A distinct assembly pathway of the human 39S late pre-mitoribosome.
Nat Commun, 12, 2021
4Y39
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BU of 4y39 by Molmil
Endothiapepsin in complex with fragment 75
分子名称: 1,2-ETHANEDIOL, 4-bromo-N'-(3,4-dihydro-2H-pyrrol-5-yl)benzohydrazide, ACETATE ION, ...
著者Schiebel, J, Heine, A, Klebe, G.
登録日2015-02-10
公開日2016-02-17
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
4Y36
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BU of 4y36 by Molmil
Endothiapepsin in complex with fragment 4
分子名称: 1,2-ETHANEDIOL, 3-methylbenzohydrazide, Endothiapepsin, ...
著者Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G.
登録日2015-02-10
公開日2016-02-17
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
4Y3P
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BU of 4y3p by Molmil
Endothiapepsin in complex with fragment 17
分子名称: 1-(6-methylpyrimidin-4-yl)azepane, Endothiapepsin, GLYCEROL
著者Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G.
登録日2015-02-10
公開日2016-02-17
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
2N5A
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BU of 2n5a by Molmil
Structures of the REDUCED state of the mutant D24A of yeast thioredoxin 1
分子名称: Thioredoxin-1
著者Iqbal, A, Moraes, A.H, Valente, A.P, Almeida, F.C.L.
登録日2015-07-13
公開日2015-10-28
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structures of the reduced and oxidized state of the mutant D24A of yeast thioredoxin 1: insights into the mechanism for the closing of the water cavity.
J.Biomol.Nmr, 63, 2015
9CHO
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BU of 9cho by Molmil
Autoinhibited full-length LRRK2(I2020T) on microtubules with MLi-2
分子名称: (2~{R},6~{S})-2,6-dimethyl-4-[6-[5-(1-methylcyclopropyl)oxy-1~{H}-indazol-3-yl]pyrimidin-4-yl]morpholine, GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 2
著者Chen, S, Villa, E, Leschziner, A.E.
登録日2024-07-01
公開日2024-12-25
最終更新日2025-01-01
実験手法ELECTRON MICROSCOPY (7.8 Å)
主引用文献Cryo-electron tomography reveals the microtubule-bound form of inactive LRRK2.
Biorxiv, 2024
2YG1
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BU of 2yg1 by Molmil
APO STRUCTURE OF CELLOBIOHYDROLASE 1 (CEL7A) FROM HETEROBASIDION ANNOSUM
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CELLULOSE 1,4-BETA-CELLOBIOSIDASE, MAGNESIUM ION
著者Haddad-Momeni, M, Hansson, H, Mikkelsen, N.E, Wang, X, Svedberg, J, Sandgren, M, Stahlberg, J.
登録日2011-04-11
公開日2012-04-25
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural, Biochemical, and Computational Characterization of the Glycoside Hydrolase Family 7 Cellobiohydrolase of the Tree-Killing Fungus Heterobasidion Irregulare.
J.Biol.Chem., 288, 2013
4EUL
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BU of 4eul by Molmil
Crystal structure of enhanced Green Fluorescent Protein to 1.35A resolution reveals alternative conformations for Glu222
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, Green fluorescent protein, ...
著者Jones, D.D, Arpino, J.A.J, Rizkallah, P.J.
登録日2012-04-25
公開日2012-10-03
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Crystal structure of enhanced green fluorescent protein to 1.35 a resolution reveals alternative conformations for glu222.
Plos One, 7, 2012
8I2J
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BU of 8i2j by Molmil
E. coli tryptophanyl-tRNA synthetase bound with a chemical fragment at the dimerization interface
分子名称: 1-(4-methoxyphenyl)ethanone, SULFATE ION, TRYPTOPHANYL-5'AMP, ...
著者Xiang, M, Zhou, H.
登録日2023-01-14
公開日2023-04-12
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening.
Nucleic Acids Res., 51, 2023
4E7F
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BU of 4e7f by Molmil
E. cloacae C115D MurA in complex with UDP
分子名称: 1,2-ETHANEDIOL, ACETATE ION, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, ...
著者Zhu, J.-Y, Betzi, S, Yang, Y, Schonbrunn, E.
登録日2012-03-16
公開日2013-03-20
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Open-close transition of MurA
To be Published
4YD5
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BU of 4yd5 by Molmil
Endothiapepsin in complex with fragment 236
分子名称: 1-(2-chloro-5-nitrophenyl)-N-methylmethanamine, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Stieler, M, Heine, A, Klebe, G.
登録日2015-02-20
公開日2016-03-02
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.209 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
1TBJ
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BU of 1tbj by Molmil
H141A mutant of rat liver arginase I
分子名称: Arginase 1, GLYCEROL, MANGANESE (II) ION
著者Cama, E, Cox, J.D, Ash, D.E, Christianson, D.W.
登録日2004-05-20
公開日2005-08-16
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Probing the role of the hyper-reactive histidine residue of arginase.
Arch.Biochem.Biophys., 444, 2005
6DUR
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BU of 6dur by Molmil
Citrobacter freundii tyrosine phenol-lyase complexed with L-phenylalanine
分子名称: (2E)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}-3-phenylpropanoic acid, (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-phenylalanine, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ...
著者Phillips, R.S.
登録日2018-06-21
公開日2018-10-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structures of Wild-Type and F448A Mutant Citrobacter freundii Tyrosine Phenol-Lyase Complexed with a Substrate and Inhibitors: Implications for the Reaction Mechanism.
Biochemistry, 57, 2018
4Y4U
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BU of 4y4u by Molmil
Endothiapepsin in complex with fragment 14
分子名称: 1-(4-bromo-2-chlorophenyl)-3-methylthiourea, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ...
著者Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G.
登録日2015-02-11
公開日2016-03-02
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.754 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
4N0J
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BU of 4n0j by Molmil
Crystal structure of dimethyllysine hen egg-white lysozyme in complex with sclx4 at 1.9 A resolution
分子名称: 25,26,27,28-tetrahydroxypentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-5,11,17,23-tetrasulfonic acid, CHLORIDE ION, GLYCEROL, ...
著者McGovern, R.E, Crowley, P.B.
登録日2013-10-02
公開日2014-11-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural study of a small molecule receptor bound to dimethyllysine in lysozyme.
Chem Sci, 6, 2015
8QJI
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BU of 8qji by Molmil
Crystal structure of GSK3b in complex with N-(4-(5-(1,2,4-oxadiazol-3-yl)thiophen-2-yl)pyridin-2-yl)cyclopropanecarboxamide inhibitor (TW362)
分子名称: Glycogen synthase kinase-3 beta, N-[4-[5-(1,2,4-oxadiazol-3-yl)thiophen-2-yl]pyridin-2-yl]cyclopropanecarboxamide
著者Slugocka, E.A, Grygier, P, Wichur, T, Czarna, A, Wieckowska, A.
登録日2023-09-13
公開日2024-09-04
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.02 Å)
主引用文献Exploring Novel GSK-3 beta Inhibitors for Anti-Neuroinflammatory and Neuroprotective Effects: Synthesis, Crystallography, Computational Analysis, and Biological Evaluation.
Acs Chem Neurosci, 15, 2024
4E7B
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BU of 4e7b by Molmil
E. cloacae MurA in complex with UDP-glucose
分子名称: 1,2-ETHANEDIOL, ACETATE ION, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, ...
著者Zhu, J.-Y, Yang, Y, Schonbrunn, E.
登録日2012-03-16
公開日2013-03-20
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Open-close transition of MurA
To be Published
4Y7T
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BU of 4y7t by Molmil
Structural analysis of MurU
分子名称: GLYCEROL, Nucleotidyl transferase, SULFATE ION
著者Renner-Schneck, M.G, Stehle, T.
登録日2015-02-16
公開日2015-03-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of the N-Acetylmuramic Acid alpha-1-Phosphate (MurNAc-alpha 1-P) Uridylyltransferase MurU, a Minimal Sugar Nucleotidyltransferase and Potential Drug Target Enzyme in Gram-negative Pathogens.
J.Biol.Chem., 290, 2015
8HFJ
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BU of 8hfj by Molmil
Crystal Structure of CbAR mutant (H162F) in complex with NADP+ and a bulky 1,3-cyclodiketone
分子名称: 2-methyl-2-[(4-methylphenyl)methyl]cyclopentane-1,3-dione, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Versicolorin reductase
著者Hou, X.D, Yin, D.J, Rao, Y.J.
登録日2022-11-10
公開日2023-06-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structural analysis of an anthrol reductase inspires enantioselective synthesis of enantiopure hydroxycycloketones and beta-halohydrins.
Nat Commun, 14, 2023
1TKB
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BU of 1tkb by Molmil
SPECIFICITY OF COENZYME BINDING IN THIAMIN DIPHOSPHATE DEPENDENT ENZYMES: CRYSTAL STRUCTURES OF YEAST TRANSKETOLASE IN COMPLEX WITH ANALOGS OF THIAMIN DIPHOSPHATE
分子名称: 1'-DEAZO-THIAMIN DIPHOSPHATE, CALCIUM ION, TRANSKETOLASE
著者Schneider, G, Koenig, S.
登録日1994-02-07
公開日1994-11-30
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Specificity of coenzyme binding in thiamin diphosphate-dependent enzymes. Crystal structures of yeast transketolase in complex with analogs of thiamin diphosphate.
J.Biol.Chem., 269, 1994
4E76
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Apo crystal structure of HCV NS5B genotype 2A JFH-1 isolate with beta hairpin loop deletion
分子名称: 1,2-ETHANEDIOL, RNA-directed RNA polymerase, SULFATE ION
著者Edwards, T.E, Mosley, R.T.
登録日2012-03-16
公開日2012-04-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of hepatitis C virus polymerase in complex with primer-template RNA.
J.Virol., 86, 2012
4YES
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BU of 4yes by Molmil
Thrombin in complex with (S)-(4-chloro-2-((1-(5-methyl-1H-pyrrole-2-carbonyl)pyrrolidine-2-carboxamido)methyl)phenyl)methanaminium
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hirudin, ...
著者Orth, P.
登録日2015-02-24
公開日2015-06-17
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Improved Stability of Proline-Derived Direct Thrombin Inhibitors through Hydroxyl to Heterocycle Replacement.
Acs Med.Chem.Lett., 6, 2015
4YLK
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BU of 4ylk by Molmil
Crystal structure of DYRK1A in complex with 10-Chloro-substituted 11H-indolo[3,2-c]quinolone-6-carboxylic acid inhibitor 5s
分子名称: 1,2-ETHANEDIOL, 10-chloro-2-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ...
著者Chaikuad, A, Falke, H, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Kunick, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2015-03-05
公開日2015-03-25
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献10-Iodo-11H-indolo[3,2-c]quinoline-6-carboxylic Acids Are Selective Inhibitors of DYRK1A.
J.Med.Chem., 58, 2015
2Y71
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BU of 2y71 by Molmil
Structure of Mycobacterium tuberculosis type II dehydroquinase complexed with (1R,4S,5R)-1,4,5-trihydroxy-3-((5-methylbenzo(b) thiophen-2-yl)methoxy)cyclohex-2-enecarboxylate
分子名称: (1R,4S,5R)-1,4,5-trihydroxy-3-[(5-methyl-1-benzothiophen-2-yl)methoxy]cyclohex-2-ene-1-carboxylic acid, 3-DEHYDROQUINATE DEHYDRATASE, SODIUM ION, ...
著者Otero, J.M, Llamas-Saiz, A.L, Fox, G.C, Tizon, L, Prazeres, V.F.V, Lamb, H, Hawkins, A.R, Ainsa, J.A, Castedo, L, Gonzalez-Bello, C, van Raaij, M.J.
登録日2011-01-28
公開日2011-08-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A prodrug approach for improving antituberculosis activity of potent Mycobacterium tuberculosis type II dehydroquinase inhibitors.
J. Med. Chem., 54, 2011
4YCT
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Endothiapepsin in complex with fragment 216
分子名称: 1,2-ETHANEDIOL, 4-(trifluoromethyl)benzenecarboximidamide, ACETATE ION, ...
著者Stieler, M, Heine, A, Klebe, G.
登録日2015-02-20
公開日2016-03-02
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published

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件を2025-10-08に公開中

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