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PDB: 46476 件
4AYH
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BU of 4ayh by Molmil
The X-ray structure of zinc bound ZinT
分子名称: METAL-BINDING PROTEIN YODA, SULFATE ION, ZINC ION
著者Alaleona, F, Ilari, A, Battistoni, A, Petrarca, P, Chiancone, E.
登録日2012-06-21
公開日2013-07-10
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献The Salmonella Enterica Zint Structure, Zinc Affinity and Interaction with the High-Affinity Uptake Protein Znua Provide Insight Into the Management of Periplasmic Zinc.
Biochim.Biophys.Acta, 1840, 2014
5RL4
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BU of 5rl4 by Molmil
PanDDA analysis group deposition of computational designs of SARS-CoV-2 main protease covalent inhibitors -- Crystal Structure of SARS-CoV-2 main protease in complex with LON-WEI-adc59df6-3 (Mpro-x3124)
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, N-(4-tert-butylphenyl)-N-[(1R)-2-(methylamino)-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
著者Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Zaidman, D, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Gorrie-Stone, T.J, Skyner, R, London, N, Walsh, M.A, von Delft, F.
登録日2020-08-05
公開日2020-12-02
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献PanDDA analysis group deposition of computational designs of SARS-CoV-2 main protease covalent inhibitors
To Be Published
4O5X
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BU of 4o5x by Molmil
O6-carboxymethylguanine in DNA forms a sequence context dependent wobble base pair structure with thymine.
分子名称: 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*(C6G)P*AP*AP*TP*TP*TP*GP*CP*G)-3'), MAGNESIUM ION
著者Zhang, F, Tsunoda, M, Suzuki, K, Kikuchi, Y, Wilkinson, O, Millington, C.L, Margison, G.P, Williams, D.M, Takenaka, A.
登録日2013-12-20
公開日2014-07-02
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献O(6)-Carboxymethylguanine in DNA forms a sequence context-dependent wobble base-pair structure with thymine
Acta Crystallogr.,Sect.D, 70, 2014
4B55
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BU of 4b55 by Molmil
Crystal Structure of the Covalent Adduct Formed between Mycobacterium marinum Aryalamine N-acetyltransferase and Phenyl vinyl ketone a derivative of Piperidinols
分子名称: 3-hydroxy-1-phenylpropan-1-one, ARYLAMINE N-ACETYLTRANSFERASE NAT
著者Abuhammad, A, Fullam, E, Lowe, E.D, Staunton, D, Kawamura, A, Westwood, I.M, Bhakta, S, Garner, A.C, Wilson, D.L, Seden, P.T, Davies, S.G, Russell, A.J, Garman, E.F, Sim, E.
登録日2012-08-02
公開日2013-01-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Piperidinols that Show Anti-Tubercular Activity as Inhibitors of Arylamine N-Acetyltransferase: An Essential Enzyme for Mycobacterial Survival Inside Macrophages.
Plos One, 7, 2012
7FSR
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BU of 7fsr by Molmil
SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z54615640
分子名称: 1,2-ETHANEDIOL, ALANINE, D-GLUTAMIC ACID, ...
著者Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
登録日2023-01-24
公開日2023-02-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献SDCBP PanDDA analysis group deposition
To Be Published
7FTA
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BU of 7fta by Molmil
SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z228589380
分子名称: 1,2-ETHANEDIOL, 3-[(pyrimidin-2-yl)amino]benzoic acid, D-GLUTAMIC ACID, ...
著者Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
登録日2023-01-24
公開日2023-02-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献SDCBP PanDDA analysis group deposition
To Be Published
6JP7
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BU of 6jp7 by Molmil
Human antibody 32D6 Fab in complex with PEG
分子名称: (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, HEXAETHYLENE GLYCOL, immunoglobulin Fab heavy chain, ...
著者Lee, C.C, Ko, T.P, Lin, L.L, Wang, A.H.J.
登録日2019-03-26
公開日2020-02-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.909 Å)
主引用文献Structural basis of polyethylene glycol recognition by antibody.
J.Biomed.Sci., 27, 2020
4B6W
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BU of 4b6w by Molmil
Architecture of Trypanosoma brucei Tubulin-Binding cofactor B
分子名称: 1,2-ETHANEDIOL, TUBULIN-SPECIFIC CHAPERONE
著者Fleming, J.R, Morgan, R.E, Fyfe, P.K, Kelly, S.M, Hunter, W.N.
登録日2012-08-15
公開日2012-08-22
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献The Architecture of Trypanosoma Brucei Tubulin-Binding Cofactor B and Implications for Function.
FEBS J., 280, 2013
7FSU
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BU of 7fsu by Molmil
SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z729726784
分子名称: 1,2-ETHANEDIOL, 2-cyclopentyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide, ALANINE, ...
著者Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
登録日2023-01-24
公開日2023-02-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献SDCBP PanDDA analysis group deposition
To Be Published
3FLP
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BU of 3flp by Molmil
Crystal structure of native heptameric SAP-like pentraxin from Limulus polyphemus
分子名称: CALCIUM ION, SAP-like pentraxin
著者Shrive, A.K, Greenhough, T.J, Armstrong, P.B.
登録日2008-12-19
公開日2009-01-20
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structures of Limulus SAP-like pentraxin reveal two molecular aggregations.
J.Mol.Biol., 386, 2009
7FST
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BU of 7fst by Molmil
SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z26968795
分子名称: 1,2-ETHANEDIOL, ALANINE, D-GLUTAMIC ACID, ...
著者Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
登録日2023-01-24
公開日2023-02-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献SDCBP PanDDA analysis group deposition
To Be Published
3FMZ
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BU of 3fmz by Molmil
Crystal Structure of Retinol-Binding Protein 4 (RBP4) in complex with non-retinoid ligand
分子名称: 2-[({4-[2-(trifluoromethyl)phenyl]piperidin-1-yl}carbonyl)amino]benzoic acid, Retinol-binding protein 4
著者Wang, Z, Johnstone, S, Walker, N.P.
登録日2008-12-22
公開日2009-01-27
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Identification and Characterization of a Non-retinoid Ligand for Retinol-binding Protein 4 Which Lowers Serum Retinol-binding Protein 4 Levels in Vivo.
J.Biol.Chem., 284, 2009
7FSP
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BU of 7fsp by Molmil
SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z1650168321
分子名称: 1,2-ETHANEDIOL, ALANINE, D-GLUTAMIC ACID, ...
著者Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
登録日2023-01-24
公開日2023-02-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献SDCBP PanDDA analysis group deposition
To Be Published
4AVC
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BU of 4avc by Molmil
Crystal structure of protein lysine acetyltransferase Rv0998 in complex with acetyl CoA and cAMP
分子名称: 1,2-ETHANEDIOL, ACETYL COENZYME *A, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, ...
著者Lee, H.J, Lang, P.T, Fortune, S.M, Sassetti, C.M, Alber, T.
登録日2012-05-24
公開日2012-07-11
最終更新日2012-08-22
実験手法X-RAY DIFFRACTION (2.806 Å)
主引用文献Cyclic AMP Regulation of Protein Lysine Acetylation in Mycobacterium Tuberculosis.
Nat.Struct.Mol.Biol., 19, 2012
7FTB
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BU of 7ftb by Molmil
SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z1198269757
分子名称: 1,2-ETHANEDIOL, D-GLUTAMIC ACID, GLYCINE, ...
著者Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
登録日2023-01-24
公開日2023-02-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献SDCBP PanDDA analysis group deposition
To Be Published
4LRF
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BU of 4lrf by Molmil
Phosphopentomutase S154G variant soaked with ribose 5-phosphate
分子名称: 5-O-phosphono-alpha-D-ribofuranose, GLYCEROL, MANGANESE (II) ION, ...
著者Birmingham, W.A, Starbird, C.A, Panosian, T.D, Nannemann, D.P, Iverson, T.M, Bachmann, B.O.
登録日2013-07-19
公開日2013-07-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Bioretrosynthetic construction of a didanosine biosynthetic pathway.
Nat.Chem.Biol., 10, 2014
7FSO
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BU of 7fso by Molmil
SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z198195770
分子名称: 1,2-ETHANEDIOL, D-GLUTAMIC ACID, GLYCINE, ...
著者Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
登録日2023-01-24
公開日2023-02-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献SDCBP PanDDA analysis group deposition
To Be Published
7FSQ
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BU of 7fsq by Molmil
SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z1429867185
分子名称: 1,2-ETHANEDIOL, 4-methoxy-1H-indole, ALANINE, ...
著者Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
登録日2023-01-24
公開日2023-02-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献SDCBP PanDDA analysis group deposition
To Be Published
7FSS
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BU of 7fss by Molmil
SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z839706072
分子名称: 1,2-ETHANEDIOL, 2-(4-bromanylpyrazol-1-yl)-~{N}-cyclopropyl-~{N}-methyl-ethanamide, ALANINE, ...
著者Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
登録日2023-01-24
公開日2023-02-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献SDCBP PanDDA analysis group deposition
To Be Published
7FSY
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BU of 7fsy by Molmil
SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z1148165337
分子名称: 1,2-ETHANEDIOL, 2-(1H-indazol-1-yl)-N,N-dimethylacetamide, ALANINE, ...
著者Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
登録日2023-01-24
公開日2023-02-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献SDCBP PanDDA analysis group deposition
To Be Published
3GIG
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BU of 3gig by Molmil
Crystal structure of phosphorylated DesKC in complex with AMP-PCP
分子名称: MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Sensor histidine kinase desK
著者Trajtenberg, F, Albanesi, D, Alzari, P.M, Buschiazzo, A, de Mendoza, D.
登録日2009-03-05
公開日2009-09-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.502 Å)
主引用文献Structural plasticity and catalysis regulation of a thermosensor histidine kinase
Proc.Natl.Acad.Sci.USA, 106, 2009
7FT2
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BU of 7ft2 by Molmil
SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z235449082
分子名称: 1,2-ETHANEDIOL, ALANINE, D-GLUTAMIC ACID, ...
著者Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
登録日2023-01-24
公開日2023-02-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献SDCBP PanDDA analysis group deposition
To Be Published
7FT6
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BU of 7ft6 by Molmil
SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with POB0008
分子名称: 1,2-ETHANEDIOL, ALANINE, D-GLUTAMIC ACID, ...
著者Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
登録日2023-01-24
公開日2023-02-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献SDCBP PanDDA analysis group deposition
To Be Published
4LY1
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BU of 4ly1 by Molmil
Structure of Human HDAC2 in complex with inhibitor 4-(acetylamino)-N-[2-amino-5-(thiophen-2-yl)phenyl]benzamide
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 4-(acetylamino)-N-[2-amino-5-(thiophen-2-yl)phenyl]benzamide, CALCIUM ION, ...
著者Fong, R, Lupardus, P.J.
登録日2013-07-30
公開日2013-08-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Histone Deacetylase (HDAC) Inhibitor Kinetic Rate Constants Correlate with Cellular Histone Acetylation but Not Transcription and Cell Viability.
J.Biol.Chem., 288, 2013
7FTD
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BU of 7ftd by Molmil
SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z27782662
分子名称: 1,2-ETHANEDIOL, ALANINE, D-GLUTAMIC ACID, ...
著者Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
登録日2023-01-24
公開日2023-02-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献SDCBP PanDDA analysis group deposition
To Be Published

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