6ZJE
 
 | | Crystal structure of human adenylate kinase 3, AK3, in complex with inhibitor Ap5A | | 分子名称: | BIS(ADENOSINE)-5'-PENTAPHOSPHATE, CHLORIDE ION, GTP:AMP phosphotransferase AK3, ... | | 著者 | Grundstrom, C, Rogne, P, Wolf-Watz, M, Sauer-Eriksson, A.E. | | 登録日 | 2020-06-28 | | 公開日 | 2020-09-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Structural Basis for GTP versus ATP Selectivity in the NMP Kinase AK3.
Biochemistry, 59, 2020
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7B3G
 | | Notum complex with ARUK3003902 | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-((2-chlorophenyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one, ... | | 著者 | Zhao, Y, Jone, E.Y. | | 登録日 | 2020-11-30 | | 公開日 | 2021-12-08 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | | 主引用文献 | Virtual Screening Directly Identifies New Fragment-Sized Inhibitors of Carboxylesterase Notum with Nanomolar Activity.
J.Med.Chem., 65, 2022
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3MWU
 | | Activated Calcium-Dependent Protein Kinase 1 from Cryptosporidium parvum (CpCDPK1) in complex with bumped kinase inhibitor RM-1-95 | | 分子名称: | 3-(naphthalen-1-ylmethyl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, Calmodulin-domain protein kinase 1 | | 著者 | Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa, Medical Structural Genomics of Pathogenic Protozoa (MSGPP) | | 登録日 | 2010-05-06 | | 公開日 | 2010-07-21 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Discovery of Potent and Selective Inhibitors of Calcium-Dependent Protein Kinase 1 (CDPK1) from C. parvum and T. gondii.
ACS Med Chem Lett, 1, 2010
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8QWX
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1UNJ
 | | Crystal structure of a 7-Aminoactinomycin D complex with non-complementary DNA | | 分子名称: | 5'-D(*TP*TP*AP*GP*BRU*TP)-3', 7-AMINO-ACTINOMYCIN D | | 著者 | Alexopoulos, E.C, Klement, R, Jares-Erijman, E.A, Uson, I, Jovin, T.M, Sheldrick, G.M. | | 登録日 | 2003-09-10 | | 公開日 | 2004-12-16 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Crystal and Solution Structures of 7-Amino-Actinomycin D Complexes with D(Ttagbrut), D(Ttagtt) and D(Tttagttt)
Acta Crystallogr.,Sect.D, 61, 2005
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8R17
 | | Crystal structure of Neurospora crassa NADase with modified C-terminus | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Conidial surface nicotinamide adenine dinucleotide glycohydrolase,Conidial surface nicotinamide adenine dinucleotide glycohydrolase nadA, ... | | 著者 | Kallio, J.P, Ferrario, E, Ziegler, M. | | 登録日 | 2023-11-01 | | 公開日 | 2024-07-03 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Evolution of fungal tuberculosis necrotizing toxin (TNT) domain-containing enzymes reveals divergent adaptations to enhance NAD cleavage.
Protein Sci., 33, 2024
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8QOY
 | | Capsular polysaccharide synthesis multienzyme of Actinobacillus Pleuropneumoniae serotype 3 | | 分子名称: | SULFATE ION, TagF-like capsule polymerase Cps3D, ZINC ION | | 著者 | Di Domenico, V, Litschko, C, Schulze, J, Bethe, A, Cifuente, J.O, Marina, A, Budde, I, Mast, T.A, Sulewska, M, Berger, M, Buettner, F, Gerardy-Schahn, R, Fiebig, T, Guerin, M.E. | | 登録日 | 2023-09-29 | | 公開日 | 2024-07-03 | | 最終更新日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Transition transferases prime bacterial capsule polymerization.
Nat.Chem.Biol., 2024
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8QZW
 | | Crystal structure of deoxyhypusine synthase from Trichomonas vaginalis | | 分子名称: | Deoxyhypusine synthase related protein, putative, GLYCEROL, ... | | 著者 | Wator, E, Wilk, P, Grudnik, P. | | 登録日 | 2023-10-30 | | 公開日 | 2024-07-03 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | Structural characterization of the (deoxy)hypusination in Trichomonas vaginalis questions the bifunctionality of deoxyhypusine synthase.
Febs J., 291, 2024
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7B84
 | | Notum-Fragment065 | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | 著者 | Zhao, Y, Jonees, E.Y. | | 登録日 | 2020-12-12 | | 公開日 | 2022-01-12 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | | 主引用文献 | Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
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7B8F
 | | Notum-Fragment 154 | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(benzimidazol-1-ylmethyl)benzenecarbonitrile, ... | | 著者 | Zhao, Y, Jonees, E.Y. | | 登録日 | 2020-12-12 | | 公開日 | 2022-01-12 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
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7B8C
 | | Notum-Fragment 147 | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-methyl-~{N}-(2-methylpropyl)imidazo[1,2-a]pyridine-3-carboxamide, ... | | 著者 | Zhao, Y, Jonees, E.Y. | | 登録日 | 2020-12-12 | | 公開日 | 2022-01-12 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
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6VGK
 | | ClpP1P2 complex from M. tuberculosis | | 分子名称: | ATP-dependent Clp protease proteolytic subunit 1, ATP-dependent Clp protease proteolytic subunit 2 | | 著者 | Ripstein, Z.A, Vahidi, S, Rubinstein, J.L, Kay, L.E. | | 登録日 | 2020-01-08 | | 公開日 | 2020-03-18 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | An allosteric switch regulatesMycobacterium tuberculosisClpP1P2 protease function as established by cryo-EM and methyl-TROSY NMR.
Proc.Natl.Acad.Sci.USA, 117, 2020
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7B87
 | | Notum-Fragment074 | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | 著者 | Zhao, Y, Jonees, E.Y. | | 登録日 | 2020-12-12 | | 公開日 | 2022-01-12 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
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8QZX
 | | CryoEM structure of DHS-eIF5A complex structure from Trichomonas vaginalis | | 分子名称: | Deoxyhypusine synthase related protein, putative, Eukaryotic translation initiation factor 5A, ... | | 著者 | Wator, E, Wilk, P, Grudnik, P. | | 登録日 | 2023-10-30 | | 公開日 | 2024-07-03 | | 最終更新日 | 2024-10-23 | | 実験手法 | ELECTRON MICROSCOPY (3.01 Å) | | 主引用文献 | Structural characterization of the (deoxy)hypusination in Trichomonas vaginalis questions the bifunctionality of deoxyhypusine synthase.
Febs J., 291, 2024
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7AD5
 | | Crystal structure of the effector AvrLm5-9 from Leptosphaeria maculans | | 分子名称: | ACETATE ION, Avirulence protein LmJ1, GLYCEROL, ... | | 著者 | Lazar, N, Mesarich, C, Petit-Houdenot, Y, Talbi, N, Li de la Sierra-Gallay, I, Zelie, E, Blondeau, K, Gracy, J, Ollivier, B, van de Wouw, A, Balesdent, M.H, Idnurm, A, van Tilbeurgh, H, Fudal, I. | | 登録日 | 2020-09-14 | | 公開日 | 2021-10-06 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | | 主引用文献 | A new family of structurally conserved fungal effectors displays epistatic interactions with plant resistance proteins.
Plos Pathog., 18, 2022
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7B86
 | | Notum-Fragment067 | | 分子名称: | 1,2-ETHANEDIOL, 2-[4-(1~{H}-pyrazol-3-yl)phenoxy]pyrimidine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Zhao, Y, Jonees, E.Y. | | 登録日 | 2020-12-12 | | 公開日 | 2022-01-12 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
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7B8D
 | | Notum-Fragment 151 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-amino-N-(pyridin-2-yl)benzenesulfonamide, DIMETHYL SULFOXIDE, ... | | 著者 | Zhao, Y, Jonees, E.Y. | | 登録日 | 2020-12-12 | | 公開日 | 2022-01-12 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
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7ADF
 | | SFX structure of dehaloperoxidase B in the ferric form | | 分子名称: | Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | 著者 | Moreno Chicano, T, Ebrahim, A.E, Axford, D.A, Sherrell, D.A, Sugimoto, H, Tono, K, Owada, S, Worrall, J.W, Strange, R.W, Owen, R.L, Hough, M.A. | | 登録日 | 2020-09-14 | | 公開日 | 2021-10-06 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | SFX structure of dehaloperoxidase B in the ferric form
to be published
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5LZJ
 | | Cholera toxin El Tor B-pentamer in complex with inhibitor Laura237 | | 分子名称: | (~{Z})-~{N}-[2-[(2~{R},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide, Cholera enterotoxin subunit B, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Heggelund, J.E, Krengel, U. | | 登録日 | 2016-09-29 | | 公開日 | 2017-05-31 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Towards new cholera prophylactics and treatment: Crystal structures of bacterial enterotoxins in complex with GM1 mimics.
Sci Rep, 7, 2017
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8E2I
 | | Cryo-EM structure of BIRC6/Smac | | 分子名称: | Baculoviral IAP repeat-containing protein 6, Diablo IAP-binding mitochondrial protein | | 著者 | Hunkeler, M, Fischer, E.S. | | 登録日 | 2022-08-15 | | 公開日 | 2023-02-15 | | 最終更新日 | 2024-06-12 | | 実験手法 | ELECTRON MICROSCOPY (3.04 Å) | | 主引用文献 | Structures of BIRC6-client complexes provide a mechanism of SMAC-mediated release of caspases.
Science, 379, 2023
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5TBY
 | | HUMAN BETA CARDIAC HEAVY MEROMYOSIN INTERACTING-HEADS MOTIF OBTAINED BY HOMOLOGY MODELING (USING SWISS-MODEL) OF HUMAN SEQUENCE FROM APHONOPELMA HOMOLOGY MODEL (PDB-3JBH), RIGIDLY FITTED TO HUMAN BETA-CARDIAC NEGATIVELY STAINED THICK FILAMENT 3D-RECONSTRUCTION (EMD-2240) | | 分子名称: | Myosin light chain 3, Myosin regulatory light chain 2, ventricular/cardiac muscle isoform, ... | | 著者 | ALAMO, L, WARE, J.S, PINTO, A, GILLILAN, R.E, SEIDMAN, J.G, SEIDMAN, C.E, PADRON, R. | | 登録日 | 2016-09-13 | | 公開日 | 2017-06-07 | | 最終更新日 | 2024-10-23 | | 実験手法 | ELECTRON MICROSCOPY (20 Å) | | 主引用文献 | Effects of myosin variants on interacting-heads motif explain distinct hypertrophic and dilated cardiomyopathy phenotypes.
Elife, 6, 2017
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1C4Z
 | | STRUCTURE OF AN E6AP-UBCH7 COMPLEX: INSIGHTS INTO THE UBIQUITINATION PATHWAY | | 分子名称: | UBIQUITIN CONJUGATING ENZYME E2, UBIQUITIN-PROTEIN LIGASE E3A | | 著者 | Huang, L, Kinnucan, E, Wang, G, Beaudenon, S, Howley, P.M, Huibregtse, J.M, Pavletich, N.P. | | 登録日 | 1999-10-14 | | 公開日 | 1999-11-17 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structure of an E6AP-UbcH7 complex: insights into ubiquitination by the E2-E3 enzyme cascade.
Science, 286, 1999
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7B89
 | | Notum-Fragment077 | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, ... | | 著者 | Zhao, Y, Jonees, E.Y. | | 登録日 | 2020-12-12 | | 公開日 | 2022-01-12 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
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7ADG
 | | Cocktail experiment G: fragments 216 and 338 at 90 mM concentration in complex with Endothiapepsin | | 分子名称: | 2-(1H-imidazol-1-yl)-N-(trans-4-methylcyclohexyl)acetamide, ACETATE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Hassaan, E, Klebe, G, Heine, A, Schiebel, J, Koester, H. | | 登録日 | 2020-09-14 | | 公開日 | 2021-10-06 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.0794636 Å) | | 主引用文献 | Comparison of Cocktail Screening in X-Ray Crystallography vs NMR
To Be Published
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8QIX
 | | Structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with inhibitor | | 分子名称: | 3-(3-methylindol-1-yl)-~{N}-(4-phenoxyphenyl)sulfonyl-propanamide, Phosphopantetheine adenylyltransferase | | 著者 | Thomas, S.E, McCarthy, W.J, Coyne, A.G, Blundell, T.L. | | 登録日 | 2023-09-12 | | 公開日 | 2024-07-24 | | 最終更新日 | 2024-09-11 | | 実験手法 | X-RAY DIFFRACTION (1.579 Å) | | 主引用文献 | A Fragment-Based Competitive 19 F LB-NMR Platform For Hotspot-Directed Ligand Profiling.
Angew.Chem.Int.Ed.Engl., 63, 2024
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