4EY6
 
 | | Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with (-)-galantamine | | 分子名称: | (-)-GALANTHAMINE, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Cheung, J, Rudolph, M, Burshteyn, F, Cassidy, M, Gary, E, Love, J, Height, J, Franklin, M. | | 登録日 | 2012-05-01 | | 公開日 | 2012-10-17 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.3983 Å) | | 主引用文献 | Structures of human acetylcholinesterase in complex with pharmacologically important ligands.
J.Med.Chem., 55, 2012
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3HXA
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3HV8
 | | Crystal structure of FimX EAL domain from Pseudomonas aeruginosa bound to c-di-GMP | | 分子名称: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Protein FimX | | 著者 | Navarro, M.V.A.S, De, N, Bae, N, Sondermann, H. | | 登録日 | 2009-06-15 | | 公開日 | 2009-08-18 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.445 Å) | | 主引用文献 | Structural analysis of the GGDEF-EAL domain-containing c-di-GMP receptor FimX.
Structure, 17, 2009
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4CBW
 | | Crystal structure of Plasmodium berghei actin I with D-loop from muscle actin | | 分子名称: | 1,4-DIETHYLENE DIOXIDE, ACTIN, ALPHA SKELETAL MUSCLE, ... | | 著者 | Vahokoski, J, Bhargav, S.P, Desfosses, A, Andreadaki, M, Kumpula, E.P, Ignatev, A, Munico Martinez, S, Lepper, S, Frischknecht, F, Siden-Kiamos, I, Sachse, C, Kursula, I. | | 登録日 | 2013-10-17 | | 公開日 | 2014-04-30 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.501 Å) | | 主引用文献 | Structural Differences Explain Diverse Functions of Plasmodium Actins.
Plos Pathog., 10, 2014
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5OVG
 | | Ras guanine nucleotide exchange factor SOS1 (Rem-cdc25) in complex with small molecule inhibitor compound 18 | | 分子名称: | 1,2-ETHANEDIOL, Son of sevenless homolog 1, ~{N}-[(1~{R})-1-[5-(6,7-dihydro-5~{H}-pyrrolo[1,2-a]imidazol-3-yl)thiophen-2-yl]ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine | | 著者 | Hillig, R.C, Sautier, B, Schroeder, J, Moosmayer, D, Hilpmann, A, Stegmann, C.M, Briem, H, Boemer, U, Weiske, J, Badock, V, Petersen, K, Kahmann, J, Wegener, D, Bohnke, N, Eis, K, Graham, K, Wortmann, L, von Nussbaum, F, Bader, B. | | 登録日 | 2017-08-28 | | 公開日 | 2019-02-06 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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1J2Z
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7DXL
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7HGI
 | | PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z57475068 | | 分子名称: | 1,2-ETHANEDIOL, Hepatoma-derived growth factor-related protein 2, N~1~,N~1~,N~4~,N~4~-tetramethylpiperazine-1,4-dicarboxamide, ... | | 著者 | Vantieghem, T, Osipov, E, Fearon, D, Douangamath, A, von Delft, F, Strelkov, S. | | 登録日 | 2024-08-29 | | 公開日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | | 主引用文献 | Rational fragment-based design of compounds targeting the PWWP domain of the HRP family.
Eur.J.Med.Chem., 280, 2024
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5PAV
 | | Crystal Structure of Factor VIIa in complex with N-(6-aminopyridin-3-yl)-5-hydroxy-1-phenylpyrazole-4-carboxamide | | 分子名称: | CALCIUM ION, CHLORIDE ION, Coagulation factor VII heavy chain, ... | | 著者 | Stihle, M, Mayweg, A, Roever, S, Rudolph, M.G. | | 登録日 | 2016-11-10 | | 公開日 | 2017-06-21 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Crystal Structure of a Factor VIIa complex
To be published
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1EKH
 | | NMR STRUCTURE OF D(TTGGCCAA)2 BOUND TO CHROMOMYCIN-A3 AND COBALT | | 分子名称: | (1S)-5-deoxy-1-O-methyl-1-C-[(2R,3S)-3,5,7,10-tetrahydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-D-xylulose, 2,6-dideoxy-4-O-methyl-alpha-D-galactopyranose-(1-3)-4-O-acetyl-2,6-dideoxy-beta-D-galactopyranose, 3-C-methyl-4-O-acetyl-alpha-L-Olivopyranose-(1-3)-beta-D-Olivopyranose-(1-3)-beta-D-Olivopyranose, ... | | 著者 | Gochin, M. | | 登録日 | 2000-03-08 | | 公開日 | 2000-03-20 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | A high-resolution structure of a DNA-chromomycin-Co(II) complex determined from pseudocontact shifts in nuclear magnetic resonance.
Structure Fold.Des., 8, 2000
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7HGP
 | | PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z19735067 | | 分子名称: | 1,2-ETHANEDIOL, 2-(4-fluorophenoxy)-1-(pyrrolidin-1-yl)ethan-1-one, Hepatoma-derived growth factor-related protein 2, ... | | 著者 | Vantieghem, T, Osipov, E, Fearon, D, Douangamath, A, von Delft, F, Strelkov, S. | | 登録日 | 2024-08-29 | | 公開日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Rational fragment-based design of compounds targeting the PWWP domain of the HRP family.
Eur.J.Med.Chem., 280, 2024
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3AAA
 | | Crystal Structure of Actin capping protein in complex with V-1 | | 分子名称: | F-actin-capping protein subunit alpha-1, F-actin-capping protein subunit beta isoforms 1 and 2, ISOPROPYL ALCOHOL, ... | | 著者 | Takeda, S, Minakata, S, Narita, A, Kitazawa, M, Yamakuni, T, Maeda, Y, Nitanai, Y. | | 登録日 | 2009-11-12 | | 公開日 | 2010-08-04 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Two distinct mechanisms for actin capping protein regulation--steric and allosteric inhibition
Plos Biol., 8, 2010
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3OM1
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3OYL
 | | Crystal structure of the PFV S217H mutant intasome bound to magnesium and the INSTI MK2048 | | 分子名称: | (6S)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-N,6-dimethyl-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-4-carboxamide, AMMONIUM ION, DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), ... | | 著者 | Hare, S, Cherepanov, P. | | 登録日 | 2010-09-23 | | 公開日 | 2010-11-17 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.54 Å) | | 主引用文献 | Molecular mechanisms of retroviral integrase inhibition and the evolution of viral resistance.
Proc.Natl.Acad.Sci.USA, 107, 2010
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7HN8
 | | PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1318110042 | | 分子名称: | 1,2-ETHANEDIOL, 4-[(but-2-yn-1-yl)(methyl)amino]-1lambda~6~-thiane-1,1-dione, E3 ubiquitin-protein ligase TRIM21, ... | | 著者 | Kim, Y, Marples, P, Fearon, D, von Delft, F, Knapp, S, Kraemer, A, Structural Genomics Consortium (SGC) | | 登録日 | 2024-11-04 | | 公開日 | 2024-11-27 | | 実験手法 | X-RAY DIFFRACTION (1.23 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
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7HNK
 | | PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1275599911 | | 分子名称: | 1,2-ETHANEDIOL, 1-(2-azaspiro[5.6]dodecan-2-yl)ethan-1-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Kim, Y, Marples, P, Fearon, D, von Delft, F, Knapp, S, Kraemer, A, Structural Genomics Consortium (SGC) | | 登録日 | 2024-11-04 | | 公開日 | 2024-11-27 | | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
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5XXL
 | | Crystal structure of GH3 beta-glucosidase from Bacteroides thetaiotaomicron | | 分子名称: | DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, Periplasmic beta-glucosidase, ... | | 著者 | Nakajima, M, Ishiguro, R, Tanaka, N, Abe, K, Maeda, T, Miyanaga, A, Takahash, Y, Sugimoto, N, Nakai, H, Taguchi, H. | | 登録日 | 2017-07-04 | | 公開日 | 2017-12-13 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Function and structure relationships of a beta-1,2-glucooligosaccharide-degrading beta-glucosidase.
FEBS Lett., 591, 2017
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1IZ3
 | | Dimeric structure of FIH (Factor inhibiting HIF) | | 分子名称: | FIH, SULFATE ION | | 著者 | Lee, C, Kim, S.-J, Jeong, D.-G, Lee, S.M, Ryu, S.-E. | | 登録日 | 2002-09-19 | | 公開日 | 2003-06-10 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structure of human FIH-1 reveals a unique active site pocket and interaction sites for HIF-1 and von Hippel-Lindau.
J.Biol.Chem., 278, 2003
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3I3G
 | | Crystal Structure of Trypanosoma brucei N-acetyltransferase (Tb11.01.2886) at 1.86A | | 分子名称: | N-acetyltransferase | | 著者 | Qiu, W, Wernimont, A.K, Marino, K, Zhang, A.Z, Ma, D, Lin, Y.H, Mackenzie, F, Kozieradzki, I, Cossar, D, Zhao, Y, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, J Ferguson, M.A, Hui, R, Structural Genomics Consortium (SGC) | | 登録日 | 2009-06-30 | | 公開日 | 2009-08-11 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Crystal Structure Trypanosoma brucei N-acetyltransferase (Tb11.01.2886) at 1.86A
To be Published
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2XEW
 | | Crystal structure of K11-linked diubiquitin | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, CITRATE ANION, ... | | 著者 | Bremm, A, Freund, S.M.V, Komander, D. | | 登録日 | 2010-05-18 | | 公開日 | 2010-07-14 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Lys11-Linked Ubiquitin Chains Adopt Compact Conformations and are Preferentially Hydrolyzed by the Deubiquitinase Cezanne
Nat.Struct.Mol.Biol., 17, 2010
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4PZU
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4HPN
 | | Crystal structure of a proposed galactarolactone cycloisomerase from Agrobacterium Tumefaciens, target EFI-500704, with bound Ca, ordered loops | | 分子名称: | CALCIUM ION, IMIDAZOLE, NICKEL (II) ION, ... | | 著者 | Vetting, M.W, Bouvier, J.T, Morisco, L.L, Wasserman, S.R, Sojitra, S, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | 登録日 | 2012-10-24 | | 公開日 | 2012-11-07 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Purification, crystallization and structural elucidation of D-galactaro-1,4-lactone cycloisomerase from Agrobacterium tumefaciens involved in pectin degradation.
Acta Crystallogr F Struct Biol Commun, 72, 2016
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7HOA
 | | PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z275165822 | | 分子名称: | 1,2-ETHANEDIOL, 1-[4-(4-chlorophenyl)piperazin-1-yl]ethan-1-one, E3 ubiquitin-protein ligase TRIM21, ... | | 著者 | Kim, Y, Marples, P, Fearon, D, von Delft, F, Knapp, S, Kraemer, A, Structural Genomics Consortium (SGC) | | 登録日 | 2024-11-04 | | 公開日 | 2024-11-27 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
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4E73
 | | Crystal structure of JNK1beta-JIP in complex with an azaquinolone inhbitor | | 分子名称: | C-Jun-amino-terminal kinase-interacting protein 1, Mitogen-activated protein kinase 8, methyl 3-(4-{[(1R,2S,3S,5S,7s)-5-aminotricyclo[3.3.1.1~3,7~]dec-2-yl]carbamoyl}benzyl)-4-oxo-1-phenyl-1,4-dihydro-1,8-naphthyridine-2-carboxylate | | 著者 | Lukacs, C.M, Janson, C.A. | | 登録日 | 2012-03-16 | | 公開日 | 2013-05-29 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | Identification of an Adamantyl Azaquinolone JNK Selective Inhibitor.
ACS Med Chem Lett, 3, 2012
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7HML
 | | PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1354416068 | | 分子名称: | 1,2-ETHANEDIOL, 1-(5-amino-1,3-dihydro-2H-isoindol-2-yl)ethan-1-one, E3 ubiquitin-protein ligase TRIM21, ... | | 著者 | Kim, Y, Marples, P, Fearon, D, von Delft, F, Knapp, S, Kraemer, A, Structural Genomics Consortium (SGC) | | 登録日 | 2024-11-04 | | 公開日 | 2024-11-27 | | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
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