5RT8
 
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000161908 | | 分子名称: | 1,2-benzoxazol-3-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 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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3F6B
 | | Crystal structure of benzoylformate decarboxylase in complex with the pyridyl inhibitor PAA | | 分子名称: | 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2-[(1S,2E)-1-hydroxy-3-pyridin-3-ylprop-2-en-1-yl]-4-methyl-1,3-thiazol-3-ium, Benzoylformate decarboxylase, MAGNESIUM ION | | 著者 | Brandt, G.S, McLeish, M.J, Kenyon, G.L, Petsko, G.A, Ringe, D, Jordan, F. | | 登録日 | 2008-11-05 | | 公開日 | 2008-12-09 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | | 主引用文献 | Detection and time course of formation of major thiamin diphosphate-bound covalent intermediates derived from a chromophoric substrate analogue on benzoylformate decarboxylase.
Biochemistry, 48, 2009
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5RTN
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000013514509 | | 分子名称: | 2-AMINOQUINAZOLIN-4(3H)-ONE, 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
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3PKA
 | | M. tuberculosis MetAP with bengamide analog Y02, in Mn form | | 分子名称: | (2R,3R,4S,5R,6E)-3,4,5-trihydroxy-2-methoxy-8,8-dimethyl-N-[2-(2,4,6-trimethylphenoxy)ethyl]non-6-enamide, CHLORIDE ION, MANGANESE (II) ION, ... | | 著者 | Ye, Q.Z, Lu, J.P. | | 登録日 | 2010-11-11 | | 公開日 | 2011-04-20 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Inhibition of Mycobacterium tuberculosis Methionine Aminopeptidases by Bengamide Derivatives.
Chemmedchem, 6, 2011
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2Q95
 | | E. coli methionine aminopeptidase Mn-form with inhibitor A05 | | 分子名称: | 5-(2-CHLORO-4-NITROPHENYL)-2-FUROIC ACID, MANGANESE (II) ION, Methionine aminopeptidase, ... | | 著者 | Ye, Q.-Z. | | 登録日 | 2007-06-12 | | 公開日 | 2008-01-01 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural analysis of inhibition of E. coli methionine aminopeptidase: implication of loop flexibility in selective inhibition of bacterial enzymes.
Bmc Struct.Biol., 7, 2007
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5RU3
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000161696 | | 分子名称: | 2-fluoro-4-hydroxybenzonitrile, 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
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4HG2
 | | The Structure of a Putative Type II Methyltransferase from Anaeromyxobacter dehalogenans. | | 分子名称: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Methyltransferase type 11 | | 著者 | Cuff, M.E, Chhor, G, Clancy, S, Brown, R.N, Cort, J.R, Heffron, F, Nakayasu, E.S, Adkins, J.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Program for the Characterization of Secreted Effector Proteins (PCSEP) | | 登録日 | 2012-10-05 | | 公開日 | 2012-10-17 | | 最終更新日 | 2017-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | The Structure of a Putative Type II Methyltransferase from Anaeromyxobacter dehalogenans.
TO BE PUBLISHED
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4GQI
 | | Synthesis of novel MT3 receptor ligands via unusual Knoevenagel condensation | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, N-{(3R)-3-[2-(acetylamino)ethyl]-2-oxo-2,3-dihydro-1H-indol-5-yl}acetamide, ... | | 著者 | Volkova, M.S, Jensen, K.C, Lozinskaya, N.A, Sosonyuk, S.E, Proskurnina, M.V, Mesecar, A.D, Zefirov, N.S. | | 登録日 | 2012-08-23 | | 公開日 | 2013-07-10 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.948 Å) | | 主引用文献 | Synthesis of novel МТ3 receptor ligands via an unusual Knoevenagel condensation.
Bioorg.Med.Chem.Lett., 22, 2012
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2H77
 | | Crystal structure of human TR alpha bound T3 in monoclinic space group | | 分子名称: | 3,5,3'TRIIODOTHYRONINE, THRA protein | | 著者 | Nascimento, A.S, Dias, S.M.G, Nunes, F.M, Aparicio, R, Bleicher, L, Ambrosio, A.L.B, Figueira, A.C.M, Santos, M.A.M, Neto, M.O, Fischer, H, Togashi, H.F.M, Craievich, A.F, Garrat, R.C, Baxter, J.D, Webb, P, Polikarpov, I. | | 登録日 | 2006-06-01 | | 公開日 | 2006-07-25 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | Structural rearrangements in the thyroid hormone receptor hinge domain and their putative role in the receptor function.
J.Mol.Biol., 360, 2006
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5RUJ
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000404314 | | 分子名称: | (5-bromo-1H-indol-3-yl)acetic 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 (1.01 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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4GQT
 | | N-terminal domain of C. elegans Hsp90 | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Heat shock protein 90, ZINC ION | | 著者 | Osipiuk, J, Chhor, G, Gu, M, Van Oosten-Hawle, P, Morimoto, R.I, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2012-08-23 | | 公開日 | 2012-09-05 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | N-terminal domain of C. elegans Hsp90
To be Published
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5RV0
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000039994 | | 分子名称: | N-(1,3-thiazol-2-yl)benzamide, 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
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3F9E
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2Q5X
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5RVG
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000400552187_N3 | | 分子名称: | 3-{3-[(3S)-oxolan-3-yl]propyl}-3H-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 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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4OPF
 | | Streptomcyes albus JA3453 oxazolomycin ketosynthase domain OzmH KS8 | | 分子名称: | NRPS/PKS | | 著者 | Osipiuk, J, Bigelow, L, Endres, M, Babnigg, G, Bingman, C.A, Yennamalli, R, Lohman, J.R, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | 登録日 | 2014-02-05 | | 公開日 | 2014-02-19 | | 最終更新日 | 2017-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | Structural and evolutionary relationships of "AT-less" type I polyketide synthase ketosynthases.
Proc.Natl.Acad.Sci.USA, 112, 2015
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3FKV
 | | AmpC K67R mutant complexed with benzo(b)thiophene-2-boronic acid (bzb) | | 分子名称: | BENZO[B]THIOPHENE-2-BORONIC ACID, Beta-lactamase, PHOSPHATE ION, ... | | 著者 | Chen, Y, McReynolds, A, Shoichet, B.K. | | 登録日 | 2008-12-17 | | 公開日 | 2009-03-24 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.847 Å) | | 主引用文献 | Re-examining the role of Lys67 in class C beta-lactamase catalysis.
Protein Sci., 18, 2009
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2H9C
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2H9F
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5RSL
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000365052868 | | 分子名称: | 6-[(1s,4s)-2-azabicyclo[2.2.2]octan-2-yl]-5-chloropyrimidin-4-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 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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2Q60
 | | Crystal structure of the ligand binding domain of polyandrocarpa misakiensis rxr in tetramer in absence of ligand | | 分子名称: | Retinoid X receptor | | 著者 | Borel, F, De Groot, A, Juillan-Binard, C, De Rosny, E, Laudet, V, Pebay-Peyroula, E, Fontecilla-Camps, J.-C, Ferrer, J.-L. | | 登録日 | 2007-06-04 | | 公開日 | 2008-05-27 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Crystal structure of the ligand-binding domain of the retinoid X receptor from the ascidian polyandrocarpa misakiensis.
Proteins, 74, 2008
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2H16
 | | Structure of human ADP-ribosylation factor-like 5 (ARL5) | | 分子名称: | ADP-ribosylation factor-like protein 5A, GUANOSINE-5'-DIPHOSPHATE, UNKNOWN ATOM OR ION | | 著者 | Rabeh, W.M, Tempel, W, Yaniw, D, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | | 登録日 | 2006-05-16 | | 公開日 | 2006-06-13 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure of human ADP-ribosylation factor-like 5 (ARL5)
To be Published
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4GU7
 | | Crystal structure of DyP-type peroxidase (SCO7193) from Streptomyces coelicolor | | 分子名称: | NICKEL (II) ION, PROTOPORPHYRIN IX CONTAINING FE, Putative uncharacterized protein SCO7193 | | 著者 | Lukk, T, Hetta, A.M.A, Jones, A, Solbiati, J, Majumdar, S, Cronan, J.E, Gerlt, J.A, Nair, S.K. | | 登録日 | 2012-08-29 | | 公開日 | 2013-09-11 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | DyP-type peroxidases from Stretptomyces and Thermobifida can modify organosolv lignin.
To be Published
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5RT1
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000039810 | | 分子名称: | 2,3-dihydro-1-benzofuran-5-carboxylic 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
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3N9S
 | | Class II fructose-1,6-bisphosphate aldolase from helicobacter pylori in complex with N-(4-hydroxybutyl)- glycolohydroxamic acid bis-phosphate, a competitive inhibitor | | 分子名称: | 4-{hydroxy[(phosphonooxy)acetyl]amino}butyl dihydrogen phosphate, CALCIUM ION, Fructose-bisphosphate aldolase, ... | | 著者 | Coincon, M, Sygusch, S. | | 登録日 | 2010-05-31 | | 公開日 | 2010-11-17 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Rational Design, Synthesis, and Evaluation of New Selective Inhibitors of Microbial Class II (Zinc Dependent) Fructose Bis-phosphate Aldolases.
J.Med.Chem., 53, 2010
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