4LBV
 
 | | Identifying ligand binding hot spots in proteins using brominated fragments | | 分子名称: | AMMONIUM ION, CHLORIDE ION, Elongation factor Tu-A, ... | | 著者 | Groftehauge, M.K, Therkelsen, M, Taaning, R, Skrydstrup, T, Morth, J.P, Nissen, P. | | 登録日 | 2013-06-21 | | 公開日 | 2013-09-11 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Identifying ligand-binding hot spots in proteins using brominated fragments.
Acta Crystallogr.,Sect.F, 69, 2013
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7UUK
 | | Crystal structure of aminoglycoside resistance enzyme ApmA, complex with tobramycin | | 分子名称: | Aminocyclitol acetyltransferase ApmA, CHLORIDE ION, TOBRAMYCIN | | 著者 | Stogios, P.J, Evdokimova, E, Di Leo, R, Bordeleau, E, Wright, G.D, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID) | | 登録日 | 2022-04-28 | | 公開日 | 2023-04-19 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.82 Å) | | 主引用文献 | Mechanistic plasticity in ApmA enables aminoglycoside promiscuity for resistance.
Nat.Chem.Biol., 20, 2024
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5QHK
 | | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human FAM83B in complex with FMOPL000010a | | 分子名称: | 1,2-ETHANEDIOL, IODIDE ION, Protein FAM83B, ... | | 著者 | Pinkas, D.M, Bufton, J.C, Fox, A.E, Talon, R, Krojer, T, Douangamath, A, Collins, P, Zhang, R, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Bullock, A.N. | | 登録日 | 2018-05-18 | | 公開日 | 2018-12-19 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | | 主引用文献 | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
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2N5F
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7UR6
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2C9O
 | | 3D Structure of the human RuvB-like helicase RuvBL1 | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, RUVB-LIKE 1 | | 著者 | Matias, P.M, Gorynia, S, Donner, P, Carrondo, M.A. | | 登録日 | 2005-12-14 | | 公開日 | 2006-10-23 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystal structure of the human AAA+ protein RuvBL1.
J. Biol. Chem., 281, 2006
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1YNW
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1HIH
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5QJ7
 | | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z32327641 | | 分子名称: | 1,2-ETHANEDIOL, ADP-sugar pyrophosphatase, CHLORIDE ION, ... | | 著者 | Dubianok, Y, Collins, P, Krojer, T, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Huber, K, von Delft, F. | | 登録日 | 2018-10-31 | | 公開日 | 2018-12-19 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | | 主引用文献 | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
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5QJL
 | | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z56983806 | | 分子名称: | 1,2-ETHANEDIOL, 1-methyl-N-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, ADP-sugar pyrophosphatase, ... | | 著者 | Dubianok, Y, Collins, P, Krojer, T, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Huber, K, von Delft, F. | | 登録日 | 2018-10-31 | | 公開日 | 2018-12-19 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | | 主引用文献 | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
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1R3T
 | | Uroporphyrinogen Decarboxylase single mutant D86G in complex with coproporphyrinogen-III | | 分子名称: | COPROPORPHYRINOGEN III, Uroporphyrinogen Decarboxylase | | 著者 | Phillips, J.D, Whitby, F.G, Kushner, J.P, Hill, C.P. | | 登録日 | 2003-10-03 | | 公開日 | 2003-12-09 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural basis for tetrapyrrole coordination by uroporphyrinogen decarboxylase
Embo J., 22, 2003
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1HLF
 | | BINDING OF GLUCOPYRANOSYLIDENE-SPIRO-THIOHYDANTOIN TO GLYCOGEN PHOSPHORYLASE B: KINETIC AND CRYSTALLOGRAPHIC STUD | | 分子名称: | (5S,7R,8S,9S,10R)-8,9,10-trihydroxy-7-(hydroxymethyl)-2-thioxo-6-oxa-1,3-diazaspiro[4.5]decan-4-one, GLYCOGEN PHOSPHORYLASE, PYRIDOXAL-5'-PHOSPHATE | | 著者 | Oikonomakos, N.G, Skamnaki, V.T, Docsa, T, Toth, B, Gergely, P, Osz, E, Szilagyi, L, Somsak, L. | | 登録日 | 2000-12-01 | | 公開日 | 2000-12-13 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | | 主引用文献 | Kinetic and crystallographic studies of glucopyranosylidene spirothiohydantoin
binding to glycogen phosphorylase B
BIOORG.MED.CHEM., 10, 2002
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2YNF
 | | HIV-1 Reverse Transcriptase Y188L mutant in complex with inhibitor GSK560 | | 分子名称: | 2-azanyl-N-[[4-bromanyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-4-chloranyl-1H-imidazole-5-carboxamide, D(-)-TARTARIC ACID, MAGNESIUM ION, ... | | 著者 | Chong, P, Sebahar, P, Youngman, M, Garrido, D, Zhang, H, Stewart, E.L, Nolte, R.T, Wang, L, Ferris, R.G, Edelstein, M, Weaver, K, Mathis, A, Peat, A. | | 登録日 | 2012-10-14 | | 公開日 | 2013-01-09 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | | 主引用文献 | Rational Design of Potent Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase.
J.Med.Chem., 55, 2012
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4IQ9
 | | Substrate and reaction specificity of Mycobacterium tuberculosis cytochrome P450 CYP121 | | 分子名称: | (3S,6S)-3-(4-hydroxybenzyl)-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione, Cytochrome P450 121, GLYCEROL, ... | | 著者 | Fonvielle, M, Ledu, M.H, Lequin, O, Lecoq, A, Jacquet, M, Thai, R, Dubois, S, Grach, G, Gondry, M, Belin, P. | | 登録日 | 2013-01-11 | | 公開日 | 2013-05-01 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Substrate and Reaction Specificity of Mycobacterium tuberculosis Cytochrome P450 CYP121: INSIGHTS FROM BIOCHEMICAL STUDIES AND CRYSTAL STRUCTURES.
J.Biol.Chem., 288, 2013
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2YNI
 | | HIV-1 Reverse Transcriptase in complex with inhibitor GSK952 | | 分子名称: | 4-chloranyl-N-[[4-chloranyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-1H-imidazole-5-carboxamide, D(-)-TARTARIC ACID, MAGNESIUM ION, ... | | 著者 | Chong, P, Sebahar, P, Youngman, M, Garrido, D, Zhang, H, Stewart, E.L, Nolte, R.T, Wang, L, Ferris, R.G, Edelstein, M, Weaver, K, Mathis, A, Peat, A. | | 登録日 | 2012-10-15 | | 公開日 | 2013-01-09 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | | 主引用文献 | Rational Design of Potent Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase.
J.Med.Chem., 55, 2012
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1NQG
 | | OUTER MEMBRANE COBALAMIN TRANSPORTER (BTUB) FROM E. COLI, WITH BOUND CALCIUM | | 分子名称: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, CALCIUM ION, vitamin b12 receptor | | 著者 | Chimento, D.P, Mohanty, A.K, Kadner, R.J, Wiener, M.C. | | 登録日 | 2003-01-21 | | 公開日 | 2003-04-29 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (3.31 Å) | | 主引用文献 | Substrate-induced transmembrane signaling in the cobalamin transporter BtuB
Nat.Struct.Biol., 10, 2003
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3K1Q
 | | Backbone model of an aquareovirus virion by cryo-electron microscopy and bioinformatics | | 分子名称: | Core protein VP6, Outer capsid VP5, Outer capsid VP7, ... | | 著者 | Cheng, L.P, Zhu, J, Hiu, W.H, Zhang, X.K, Honig, B, Fang, Q, Zhou, Z.H. | | 登録日 | 2009-09-28 | | 公開日 | 2010-03-23 | | 最終更新日 | 2024-02-21 | | 実験手法 | ELECTRON MICROSCOPY (4.5 Å) | | 主引用文献 | Backbone Model of an Aquareovirus Virion by Cryo-Electron Microscopy and Bioinformatics
J.Mol.Biol., 397, 2010
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1OCX
 | | E. coli maltose-O-acetyltransferase | | 分子名称: | MALTOSE O-ACETYLTRANSFERASE, TRIMETHYL LEAD ION | | 著者 | Lo Leggio, L, Dal Degan, F, Poulsen, P, Larsen, S. | | 登録日 | 2003-02-11 | | 公開日 | 2003-06-12 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | The Structure and Specificity of Escherichia Coli Maltose Acetyltransferase Give New Insight Into the Laca Family of Acyltransferases.
Biochemistry, 42, 2003
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3PK1
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7BZD
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4LB3
 | | Crystal structure of human AR complexed with NADP+ and {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid | | 分子名称: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid | | 著者 | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A. | | 登録日 | 2013-06-20 | | 公開日 | 2014-04-30 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (0.8 Å) | | 主引用文献 | Modulation of aldose reductase inhibition by halogen bond tuning.
Acs Chem.Biol., 8, 2013
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4LC0
 | | Identifying ligand binding hot spots in proteins using brominated fragments | | 分子名称: | AMMONIUM ION, Elongation factor Tu-A, MAGNESIUM ION, ... | | 著者 | Groftehauge, M.K, Therkelsen, M, Taaning, R, Skrydstrup, T, Morth, J.P, Nissen, P. | | 登録日 | 2013-06-21 | | 公開日 | 2013-09-11 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.221 Å) | | 主引用文献 | Identifying ligand-binding hot spots in proteins using brominated fragments.
Acta Crystallogr.,Sect.F, 69, 2013
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4IQB
 | | High Resolution Crystal Structure of C.elegans Thymidylate Synthase | | 分子名称: | SULFATE ION, Thymidylate synthase | | 著者 | Wilk, P, Dowiercial, A, Banaszak, K, Jarmula, A, Rypniewski, W, Rode, W. | | 登録日 | 2013-01-11 | | 公開日 | 2014-01-22 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | | 主引用文献 | Crystal structures of nematode (parasitic T. spiralis and free living C. elegans), compared to mammalian, thymidylate synthases (TS). Molecular docking and molecular dynamics simulations in search for nematode-specific inhibitors of TS.
J. Mol. Graph. Model., 77, 2017
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7W6O
 | | Crystal structure of a PSH1 in complex with J1K | | 分子名称: | 4-(2-hydroxyethylcarbamoyl)benzoic acid, PSH1 | | 著者 | Gao, J, Lara, P, Li, Z.S, Han, X, Wei, R, Liu, W.D. | | 登録日 | 2021-12-02 | | 公開日 | 2022-09-14 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Multiple Substrate Binding Mode-Guided Engineering of a Thermophilic PET Hydrolase.
Acs Catalysis, 12, 2022
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7W6Q
 | | Crystal structure of a PSH1 in complex with ligand J1K | | 分子名称: | 4-(2-hydroxyethylcarbamoyl)benzoic acid, PSH1 | | 著者 | Gao, J, Lara, P, Li, Z.S, Han, X, Wei, R, Liu, W.D. | | 登録日 | 2021-12-02 | | 公開日 | 2022-09-14 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Multiple Substrate Binding Mode-Guided Engineering of a Thermophilic PET Hydrolase.
Acs Catalysis, 12, 2022
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