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8PPK
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BU of 8ppk by Molmil
Bat-Hp-CoV Nsp1 and eIF1 bound to the human 40S small ribosomal subunit
分子名称: 18S rRNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ...
著者Schubert, K, Karousis, E.D, Ban, I, Lapointe, C.P, Leibundgut, M, Baeumlin, E, Kummerant, E, Scaiola, A, Schoenhut, T, Ziegelmueller, J, Puglisi, J.D, Muehlemann, O, Ban, N.
登録日2023-07-07
公開日2023-10-18
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献Universal features of Nsp1-mediated translational shutdown by coronaviruses.
Mol.Cell, 83, 2023
5JSS
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BU of 5jss by Molmil
Thermolysin in complex with JC149.
分子名称: CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Krimmer, S.G, Cramer, J, Heine, A, Klebe, G.
登録日2016-05-09
公開日2016-12-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Rational Design of Thermodynamic and Kinetic Binding Profiles by Optimizing Surface Water Networks Coating Protein-Bound Ligands.
J. Med. Chem., 59, 2016
4S2X
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BU of 4s2x by Molmil
Structure of E. coli RppH bound to RNA and two magnesium ions
分子名称: MAGNESIUM ION, RNA (5'-R(*(APC)*GP*U)-3'), RNA pyrophosphohydrolase, ...
著者Vasilyev, N, Serganov, A.
登録日2015-01-23
公開日2015-02-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structures of RNA Complexes with the Escherichia coli RNA Pyrophosphohydrolase RppH Unveil the Basis for Specific 5'-End-dependent mRNA Decay.
J.Biol.Chem., 290, 2015
5JT6
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BU of 5jt6 by Molmil
tRNA guanine Transglycosylase (TGT) in co-crystallized complex with 2-((2-morpholinoethyl)amino)-1H-benzo[d]imidazole-5-carbohydrazide
分子名称: 2-{[2-(morpholin-4-yl)ethyl]amino}-1H-benzimidazole-6-carbohydrazide, CHLORIDE ION, GLYCEROL, ...
著者Ehrmann, F.R, Heine, A, Klebe, G.
登録日2016-05-09
公開日2017-05-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Benzimidazole-based Inhibitors as a Novel Scaffold to Inhibit Z.mobilis TGT and Study Protein Flexibility and the Contributions of Active Site Residues to Binding Affinity of lin-Benzopurines.
To be Published
5K1Q
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BU of 5k1q by Molmil
Crystal structure of oxidized Shewanella Yellow Enzyme 4 (SYE4) in complex with p-methylphenol
分子名称: FLAVIN MONONUCLEOTIDE, NAD(P)H:flavin oxidoreductase Sye4, P-CRESOL
著者Elegheert, J, Brige, A, Savvides, S.N.
登録日2016-05-18
公開日2017-06-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural dissection of Shewanella oneidensis old yellow enzyme 4 bound to a Meisenheimer complex and (nitro)phenolic ligands.
FEBS Lett., 591, 2017
5K27
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BU of 5k27 by Molmil
Crystal structure of ancestral protein ancMT of ADP-dependent sugar kinases family.
分子名称: ADENOSINE MONOPHOSPHATE, IODIDE ION, ancMT
著者Castro-Fernandez, V, Herrera-Morande, A, Zamora, R, Merino, F, Pereira, H.M, Brandao-Neto, J, Garratt, R, Guixe, V.
登録日2016-05-18
公開日2017-05-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Reconstructed ancestral enzymes reveal that negative selection drove the evolution of substrate specificity in ADP-dependent kinases.
J. Biol. Chem., 292, 2017
3L93
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BU of 3l93 by Molmil
Phosphopantetheine adenylyltransferase from Yersinia pestis.
分子名称: FORMIC ACID, Phosphopantetheine adenylyltransferase
著者Osipiuk, J, Maltseva, N, Makowska-grzyska, M, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2010-01-04
公開日2010-01-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献X-ray crystal structure of phosphopantetheine adenylyltransferase from Yersinia pestis.
To be Published
5JPG
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BU of 5jpg by Molmil
Rat Galectin 5 with lactose
分子名称: Galectin-5, SODIUM ION, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose
著者Romero, A, Ruiz, F.M.
登録日2016-05-03
公開日2017-05-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Characterization of Rat Galectin-5, an N-Tailed Monomeric Proto-Type-like Galectin.
Biomolecules, 11, 2021
4RTV
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BU of 4rtv by Molmil
Crystal structure of the Src tyrosine kinase SH3 domain S94A/Q128R mutant in complex with the high affinity synthetic peptide APP12
分子名称: APP12 peptide, Proto-oncogene tyrosine-protein kinase Src
著者Camara-Artigas, A, Bacarizo, J.
登録日2014-11-16
公開日2015-10-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Crystal structure of the Src tyrosine kinase SH3 domain S94A/Q128R mutant in complex with the high affinity synthetic peptide APP12
To be Published
5JSW
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BU of 5jsw by Molmil
tRNA guanine Transglycosylase (TGT) in co-crystallized complex with 6-amino-2-((((3a'R,6'R,6a'R)-2,2,2',2'-tetramethyldihydro-3a'H-spiro[[1,3]dioxolane-4,4'-furo[3,4-d][1,3]dioxol]-6'-yl)methyl)amino)-1H-imidazo[4,5-g]quinazolin-8(7H)-one
分子名称: 1,2-ETHANEDIOL, 6-amino-2-({[(3a'R,4S,6'R,6a'R)-2,2,2',2'-tetramethyldihydro-3a'H-spiro[1,3-dioxolane-4,4'-furo[3,4-d][1,3]dioxol]-6'-yl]methyl}amino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one (non-preferred name), CHLORIDE ION, ...
著者Ehrmann, F.R, Nguyen, D, Heine, A, Klebe, G.
登録日2016-05-09
公開日2017-05-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Application of carbohydrates based lin-benzoguanines in a solvent-exposed subpocket of the tRNA-modifying Enzyme TGT
To be Published
4TQ8
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BU of 4tq8 by Molmil
Dual binding mode for 3-(9H-fluoren-9-ylideneaminooxy)propanoic acid binding to Human transthyretin (TTR)
分子名称: 1,2-ETHANEDIOL, 3-[(9H-fluoren-9-ylideneamino)oxy]propanoic acid, Transthyretin
著者Ciccone, L, Orlandini, E, Nencetti, S, Rossello, A, Stura, E.A.
登録日2014-06-10
公開日2015-06-24
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献X-ray crystal structure and activity of fluorenyl-based compounds as transthyretin fibrillogenesis inhibitors.
J Enzyme Inhib Med Chem, 2015
4TTI
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BU of 4tti by Molmil
Crystal structure of double mutant E. Coli purine nucleoside phosphorylase with 4 FMC molecules
分子名称: (1S)-1-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-D-ribitol, PHOSPHATE ION, Purine nucleoside phosphorylase DeoD-type, ...
著者Stefanic, Z, Bzowska, A.
登録日2014-06-21
公開日2015-07-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Crystallographic snapshots of ligand binding to hexameric purine nucleoside phosphorylase and kinetic studies give insight into the mechanism of catalysis.
Sci Rep, 8, 2018
1ADJ
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BU of 1adj by Molmil
HISTIDYL-TRNA SYNTHETASE IN COMPLEX WITH HISTIDINE
分子名称: HISTIDINE, HISTIDYL-TRNA SYNTHETASE, SULFATE ION
著者Cusack, S, Aberg, A.
登録日1997-02-18
公開日1997-08-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure analysis of the activation of histidine by Thermus thermophilus histidyl-tRNA synthetase.
Biochemistry, 36, 1997
4RK5
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BU of 4rk5 by Molmil
Crystal structure of LacI family transcriptional regulator from Lactobacillus casei, Target EFI-512911, with bound sucrose
分子名称: ACETATE ION, SODIUM ION, Transcriptional regulator, ...
著者Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Siedel, R.D, Hillerich, B, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-10-11
公開日2014-11-05
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Crystal Structure of LacI Transcriptional Regulator Lsei_2103 from Lactobacillus casei, Target EFI-512911
To be Published
4RKQ
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BU of 4rkq by Molmil
Crystal structure of LacI family transcriptional regulator from Arthrobacter sp. FB24, target EFI-560007
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ...
著者Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Siedel, R.D, Hillerich, B, Love, J, Whalen, K.L, Gerlt, J.A, Burley, S.K, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-10-13
公開日2014-11-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.903 Å)
主引用文献Crystal Structure of LacI Transcriptional Regulator PurR from Arthrobacter Sp, Target Nysgxrc 11027R
To be Published
4RLE
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BU of 4rle by Molmil
Crystal structure of the c-di-AMP binding PII-like protein DarA
分子名称: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, NICKEL (II) ION, Uncharacterized protein YaaQ
著者Dickmanns, A, Neumann, P, Ficner, R.
登録日2014-10-16
公開日2014-12-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Identification, Characterization, and Structure Analysis of the Cyclic di-AMP-binding PII-like Signal Transduction Protein DarA.
J.Biol.Chem., 290, 2015
5L41
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BU of 5l41 by Molmil
Thermolysin in complex with JC148 (MPD cryo protectant)
分子名称: CALCIUM ION, DIMETHYL SULFOXIDE, Thermolysin, ...
著者Krimmer, S.G, Cramer, J, Heine, A, Klebe, G.
登録日2016-05-24
公開日2016-12-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Rational Design of Thermodynamic and Kinetic Binding Profiles by Optimizing Surface Water Networks Coating Protein-Bound Ligands.
J. Med. Chem., 59, 2016
5L6X
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BU of 5l6x by Molmil
CRYSTAL STRUCTURE OF HGSTP1-1 COMPLEXED WITH FERROCENE-GLUTATHIONE CONJUGATE
分子名称: AZIDE ION, Glutathione S-transferase P, S-[N-(ferrocenylmethyl)carbamoylmethyl]-glutathione
著者Lopez-Jaramillo, F.J, Garcia-Fuentes, L, Vargas-Berenguel, A.
登録日2016-06-01
公開日2017-06-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献CRYSTAL STRUCTURE OF HGSTP1-1 COMPLEXED WITH FERROCENE-GLUTATHIONE CONJUGATE
To Be Published
4S0P
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BU of 4s0p by Molmil
Crystal Structure of the Autoinhibited Dimer of Pro-apoptotic BAX (II)
分子名称: Apoptosis regulator BAX
著者Priyadarshi, A, Gavathiotis, E.
登録日2015-01-04
公開日2016-07-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.252 Å)
主引用文献An Autoinhibited Dimeric Form of BAX Regulates the BAX Activation Pathway.
Mol.Cell, 63, 2016
5L7T
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BU of 5l7t by Molmil
17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal inhibitor.
分子名称: (4-fluoranyl-3-oxidanyl-phenyl)-[6-(3-methyl-4-oxidanyl-phenyl)pyridin-2-yl]methanone, 17-beta-hydroxysteroid dehydrogenase 14, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Bertoletti, N, Braun, F, Marchais-Oberwinkler, S, Heine, A, Klebe, G.
登録日2016-06-03
公開日2016-12-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.983 Å)
主引用文献First Structure-Activity Relationship of 17 beta-Hydroxysteroid Dehydrogenase Type 14 Nonsteroidal Inhibitors and Crystal Structures in Complex with the Enzyme.
J. Med. Chem., 59, 2016
5L7X
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BU of 5l7x by Molmil
Afamin antibody fragment, N14 Fab, L1- glycosylated, crystal form II
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, Mouse Antibody Fab Fragment, ...
著者Rupp, B, Naschberger, A.
登録日2016-06-04
公開日2016-07-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献The N14 anti-afamin antibody Fab: a rare VL1 CDR glycosylation, crystallographic re-sequencing, molecular plasticity and conservative versus enthusiastic modelling.
Acta Crystallogr D Struct Biol, 72, 2016
5L89
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BU of 5l89 by Molmil
Crystal structure of Rhodospirillum rubrum Rru_A0973 mutant E32A
分子名称: CALCIUM ION, Rru_A0973
著者He, D, Hughes, S, Vanden-Hehir, S, Georgiev, A, Altenbach, K, Tarrant, E, Mackay, C.L, Waldron, K.J, Clarke, D.J, Marles-Wright, J.
登録日2016-06-07
公開日2016-08-31
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Structural characterization of encapsulated ferritin provides insight into iron storage in bacterial nanocompartments.
Elife, 5, 2016
4RTX
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BU of 4rtx by Molmil
Crystal structure of the Src tyrosine kinase SH3 domain T96G/Q128R mutant
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, NICKEL (II) ION, Proto-oncogene tyrosine-protein kinase Src, ...
著者Camara-Artigas, A.
登録日2014-11-16
公開日2015-10-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Crystal structure of the Src tyrosine kinase SH3 domain T96G/Q128R mutant
To be Published
5LA5
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BU of 5la5 by Molmil
Room temperature X-ray diffraction of tetragonal HEWL. Second data set (0.62 MGy)
分子名称: ACETATE ION, CHLORIDE ION, Lysozyme C
著者Castellvi, A, Juanhuix, J.
登録日2016-06-13
公開日2016-12-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Uridine as a new scavenger for synchrotron-based structural biology techniques.
J Synchrotron Radiat, 24, 2017
4RUM
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BU of 4rum by Molmil
Crystal structure of the NiCo transition-metal riboswitch bound to cobalt
分子名称: COBALT (II) ION, GLYCEROL, MAGNESIUM ION, ...
著者Ramesh, A, Winkler, W.C.
登録日2014-11-21
公開日2015-04-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6426 Å)
主引用文献Bacterial riboswitches cooperatively bind Ni(2+) or Co(2+) ions and control expression of heavy metal transporters.
Mol.Cell, 57, 2015

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