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5RUG
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BU of 5rug by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000038389
分子名称: NAPHTHYLOXYACETIC ACID, Non-structural protein 3
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-09-28
公開日2020-12-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
5RUT
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BU of 5rut by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000161958
分子名称: ATROLACTIC ACID (2-PHENYL-LACTIC ACID), Non-structural protein 3
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-09-28
公開日2020-12-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
4FYJ
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BU of 4fyj by Molmil
Crystal Structure of P. aeruginosa peptidyl-tRNA hydrolase
分子名称: Peptidyl-tRNA hydrolase
著者Hughes, R.C, McFeeters, H, McFeeters, R.L.
登録日2012-07-04
公開日2012-12-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Recombinant production, crystallization and X-ray crystallographic structure determination of the peptidyl-tRNA hydrolase of Pseudomonas aeruginosa.
Acta Crystallogr.,Sect.F, 68, 2012
5RV8
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BU of 5rv8 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000039575
分子名称: 6-methylpyridine-3-carboxamide, Non-structural protein 3
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-09-28
公開日2020-12-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
5RVP
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BU of 5rvp by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000154817
分子名称: ISOQUINOLIN-1-AMINE, Non-structural protein 3
著者Correy, G.C, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-10-02
公開日2020-12-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
3EMN
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BU of 3emn by Molmil
The Crystal Structure of Mouse VDAC1 at 2.3 A resolution
分子名称: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Voltage-dependent anion-selective channel protein 1
著者Ujwal, R, Cascio, D, Colletier, J.-P, Faham, S, Zhang, J, Toro, L, Ping, P, Abramson, J.
登録日2008-09-24
公開日2008-12-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The crystal structure of mouse VDAC1 at 2.3 A resolution reveals mechanistic insights into metabolite gating
Proc.Natl.Acad.Sci.USA, 105, 2008
4GKS
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BU of 4gks by Molmil
A2-MHC Complex carrying FLTGIGIITV
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, FLT Cognate peptide, ...
著者Sewell, A.K, Rizkallah, P.J, Cole, D.K, Wooldridge, L, Price, D.A.
登録日2012-08-13
公開日2012-09-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.346 Å)
主引用文献T-cell Receptor-optimized Peptide Skewing of the T-cell Repertoire Can Enhance Antigen Targeting.
J.Biol.Chem., 287, 2012
2R84
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Crystal structure of PurP from Pyrococcus furiosus complexed with AMP and AICAR
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE MONOPHOSPHATE, AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, ...
著者Zhang, Y, White, R.H, Ealick, S.E.
登録日2007-09-10
公開日2007-12-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure and function of 5-formaminoimidazole-4-carboxamide ribonucleotide synthetase from Methanocaldococcus jannaschii.
Biochemistry, 47, 2008
4FSL
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BU of 4fsl by Molmil
Crystal structure of beta-site app-cleaving enzyme 1 (BACE-DB-MUT) complex with N-(N-(4- acetamido-3-chloro-5-methylbenzyl)carbamimidoyl)-3-(4- methoxyphenyl)-5-methyl-4-isothiazolecarboxamide
分子名称: Beta-secretase 1, IODIDE ION, N-{N-[4-(acetylamino)-3-chloro-5-methylbenzyl]carbamimidoyl}-3-(4-methoxyphenyl)-5-methyl-1,2-thiazole-4-carboxamide
著者Muckelbauer, J.K.
登録日2012-06-27
公開日2012-10-10
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Acyl Guanidine Inhibitors of beta-Secretase (BACE-1): Optimization of a Micromolar Hit to a Nanomolar Lead via Iterative Solid- and Solution-Phase Library Synthesis
J.Med.Chem., 55, 2012
3EMS
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BU of 3ems by Molmil
Effect of Ariginine on lysozyme
分子名称: ARGININE, CHLORIDE ION, Lysozyme C, ...
著者Ito, L, Shiraki, K, Matsuura, T, Yamaguhi, H.
登録日2008-09-25
公開日2008-10-21
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.651 Å)
主引用文献Effect of Ariginine on lysozyme
to be published
3EN1
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BU of 3en1 by Molmil
Crystal structure of Toluene 2,3-Dioxygenase
分子名称: 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, Benzene 1,2-dioxygenase subunit alpha, Benzene 1,2-dioxygenase subunit beta, ...
著者Friemann, R, Lee, K, Brown, E.N, Gibson, D.T, Eklund, H, Ramaswamy, S.
登録日2008-09-25
公開日2009-03-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structures of the multicomponent Rieske non-heme iron toluene 2,3-dioxygenase enzyme system
Acta Crystallogr.,Sect.D, 65, 2009
4FUK
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BU of 4fuk by Molmil
Aminopeptidase from Trypanosoma brucei
分子名称: GLYCEROL, Methionine aminopeptidase, UNKNOWN ATOM OR ION, ...
著者El Bakkouri, M, Tempel, W, Osman, K.T, Loppnau, P, Graslund, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Lin, Y.H, Structural Genomics Consortium (SGC)
登録日2012-06-28
公開日2012-08-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Aminpeptidase from Trypanosoma brucei (CASP Target)
To be Published
2R8O
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BU of 2r8o by Molmil
Transketolase from E. coli in complex with substrate D-xylulose-5-phosphate
分子名称: 1,2-ETHANEDIOL, 2-C-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thia zol-3-ium-2-yl}-5-O-phosphono-D-xylitol, CALCIUM ION, ...
著者Wille, G, Asztalos, P, Weiss, M.S, Tittmann, K.
登録日2007-09-11
公開日2007-12-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Strain and near attack conformers in enzymic thiamin catalysis: X-ray crystallographic snapshots of bacterial transketolase in covalent complex with donor ketoses xylulose 5-phosphate and fructose 6-phosphate, and in noncovalent complex with acceptor aldose ribose 5-phosphate.
Biochemistry, 46, 2007
2RBF
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BU of 2rbf by Molmil
Structure of the ribbon-helix-helix domain of Escherichia coli PutA (PutA52) complexed with operator DNA (O2)
分子名称: Bifunctional protein putA, DNA (5'-D(*DTP*DT*DTP*DGP*DCP*DGP*DGP*DTP*DTP*DGP*DCP*DAP*DCP*DCP*DTP*DTP*DTP*DCP*DAP*DAP*DA)-3'), DNA (5'-D(*DTP*DTP*DTP*DGP*DAP*DAP*DAP*DGP*DGP*DTP*DGP*DCP*DAP*DAP*DCP*DCP*DGP*DCP*DAP*DAP*DA)-3')
著者Tanner, J.J.
登録日2007-09-18
公開日2008-07-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural basis of the transcriptional regulation of the proline utilization regulon by multifunctional PutA.
J.Mol.Biol., 381, 2008
4FWP
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BU of 4fwp by Molmil
Crystal structure of Salmonella typhimurium propionate kinase (TdcD) in complex with GDP
分子名称: 1,2-ETHANEDIOL, GUANOSINE-5'-DIPHOSPHATE, Propionate kinase
著者Chittori, S, Savithri, H.S, Murthy, M.R.N.
登録日2012-07-01
公開日2013-06-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Mechanistic features of Salmonella typhimurium propionate kinase (TdcD): insights from kinetic and crystallographic studies.
Biochim.Biophys.Acta, 1834, 2013
2RDR
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BU of 2rdr by Molmil
Crystal Structure of PtlH with Fe/oxalylglycine bound
分子名称: 1-deoxypentalenic acid 11-beta hydroxylase; Fe(II)/alpha-ketoglutarate dependent hydroxylase, FE (III) ION, MAGNESIUM ION, ...
著者You, Z, Omura, S, Ikeda, H, Cane, D.E, Jogl, G.
登録日2007-09-24
公開日2007-10-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of the Non-heme Iron Dioxygenase PtlH in Pentalenolactone Biosynthesis.
J.Biol.Chem., 282, 2007
2RCZ
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BU of 2rcz by Molmil
Structure of the second PDZ domain of ZO-1
分子名称: Tight junction protein ZO-1
著者Lavie, A, Lye, M.F.
登録日2007-09-20
公開日2007-10-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Domain swapping within PDZ2 is responsible for dimerization of ZO proteins.
J.Biol.Chem., 282, 2007
2RFE
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BU of 2rfe by Molmil
Crystal structure of the complex between the EGFR kinase domain and a Mig6 peptide
分子名称: ERBB receptor feedback inhibitor 1, Epidermal growth factor receptor
著者Zhang, X, Pickin, K.A, Bose, R, Jura, N, Cole, P.A, Kuriyan, J.
登録日2007-09-28
公開日2007-12-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Inhibition of the EGF receptor by binding of MIG6 to an activating kinase domain interface.
Nature, 450, 2007
3E9R
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BU of 3e9r by Molmil
Crystal structure of purine nucleoside phosphorylase from Schistosoma mansoni in complex with adenine
分子名称: ACETATE ION, ADENINE, DIMETHYL SULFOXIDE, ...
著者Pereira, H.M, Rezende, M.M, Oliva, G, Garratt, R.C.
登録日2008-08-23
公開日2009-09-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Adenosine binding to low-molecular-weight purine nucleoside phosphorylase: the structural basis for recognition based on its complex with the enzyme from Schistosoma mansoni.
Acta Crystallogr.,Sect.D, 66, 2010
2RHO
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BU of 2rho by Molmil
Synthetic Gene Encoded Bacillus Subtilis FtsZ NCS Dimer with Bound GDP and GTP-gamma-S
分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Cell Division Protein ftsZ, GUANOSINE-5'-DIPHOSPHATE
著者Lovell, S, Halloran, Z, Hjerrild, K, Sheridan, D, Burgin, A, Stewart, L, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D)
登録日2007-10-09
公開日2008-10-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Combined protein construct and synthetic gene engineering for heterologous protein expression and crystallization using Gene Composer.
BMC Biotechnol., 9, 2009
2RIX
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BU of 2rix by Molmil
B-specific-1,3-galactosyltransferase)(GTB) + UDP
分子名称: GLYCEROL, Glycoprotein-fucosylgalactoside alpha-galactosyltransferase, MANGANESE (II) ION, ...
著者Evans, S.V, Alfaro, J.A.
登録日2007-10-13
公開日2008-02-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献ABO(H) blood group A and B glycosyltransferases recognize substrate via specific conformational changes.
J.Biol.Chem., 283, 2008
2RJ9
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BU of 2rj9 by Molmil
B-specific alpha-1,3-galactosyltransferase (GTB) + UDP+ Amino-deoxy-acceptor
分子名称: Glycoprotein-fucosylgalactoside alpha-galactosyltransferase, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE, ...
著者Evans, S.V, Alfaro, J.A.
登録日2007-10-14
公開日2008-02-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献ABO(H) blood group A and B glycosyltransferases recognize substrate via specific conformational changes.
J.Biol.Chem., 283, 2008
4FUR
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BU of 4fur by Molmil
Crystal Structure of Urease subunit gamma 2 from Brucella melitensis biovar Abortus 2308
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Urease subunit gamma 2
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-06-28
公開日2012-08-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of Urease subunit gamma 2 from Brucella melitensis biovar Abortus 2308
TO BE PUBLISHED
2RID
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BU of 2rid by Molmil
Crystal structure of the trimeric neck and carbohydrate recognition domain of human surfactant protein D in complex with Allyl 7-O-carbamoyl-L-glycero-D-manno-heptopyranoside
分子名称: CALCIUM ION, Pulmonary surfactant-associated protein D, prop-2-en-1-yl 7-O-carbamoyl-L-glycero-alpha-D-manno-heptopyranoside
著者Wang, H, Head, J, Kosma, P, Sheikh, S, McDonald, B, Smith, K, Cafarella, T, Seaton, B, Crouch, E.
登録日2007-10-10
公開日2008-01-15
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Recognition of heptoses and the inner core of bacterial lipopolysaccharides by surfactant protein d.
Biochemistry, 47, 2008
5RS8
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PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000001601
分子名称: N-(FURAN-2-YLMETHYL)-7H-PURIN-6-AMINE, Non-structural protein 3
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-09-28
公開日2020-12-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.01 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021

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