3SGZ
 
 | | High resolution crystal structure of rat long chain hydroxy acid oxidase in complex with the inhibitor 4-carboxy-5-[(4-chiorophenyl)sulfanyl]-1, 2, 3-thiadiazole. | | 分子名称: | 5-[(4-methylphenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylic acid, FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 2 | | 著者 | Chen, Z, Vignaud, C, Jaafar, A, Gueritte, F, Guenard, D, Lederer, F, Mathews, F.S. | | 登録日 | 2011-06-15 | | 公開日 | 2012-03-07 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | High resolution crystal structure of rat long chain hydroxy acid oxidase in complex with the inhibitor 4-carboxy-5-[(4-chlorophenyl)sulfanyl]-1, 2, 3-thiadiazole. Implications for inhibitor specificity and drug design.
Biochimie, 94, 2012
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3SJG
 | | Human glutamate carboxypeptidase II (E424A inactive mutant ) in complex with N-acetyl-aspartyl-aminooctanoic acid | | 分子名称: | (2S)-2-[(N-acetyl-L-alpha-aspartyl)amino]nonanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Plechanovova, A, Byun, Y, Alquicer, G, Skultetyova, L, Mlcochova, P, Nemcova, A, Kim, H, Navratil, M, Mease, R, Lubkowski, J, Pomper, M, Konvalinka, J, Rulisek, L, Barinka, C. | | 登録日 | 2011-06-21 | | 公開日 | 2011-10-05 | | 最終更新日 | 2024-11-27 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Novel Substrate-Based Inhibitors of Human Glutamate Carboxypeptidase II with Enhanced Lipophilicity.
J.Med.Chem., 54, 2011
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7FD2
 | | Cryo-EM structure of an alphavirus, Getah virus | | 分子名称: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Liu, Z, Liu, C, Wang, A. | | 登録日 | 2021-07-15 | | 公開日 | 2022-08-10 | | 最終更新日 | 2024-11-06 | | 実験手法 | ELECTRON MICROSCOPY (2.81 Å) | | 主引用文献 | Structure of infective Getah virus at 2.8 angstrom resolution determined by cryo-electron microscopy.
Cell Discov, 8, 2022
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5CX9
 | | Crystal structure of CK2alpha with (methyl 4-((3-(3-chloro-4-(phenyl)benzylamino)propyl)amino)-4-oxobutanoate bound | | 分子名称: | ACETATE ION, Casein kinase II subunit alpha, PHOSPHATE ION, ... | | 著者 | Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M. | | 登録日 | 2015-07-28 | | 公開日 | 2016-11-30 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.732 Å) | | 主引用文献 | A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066.
Bioorg. Med. Chem., 25, 2017
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6PGK
 | | Membrane Protein Megahertz Crystallography at the European XFEL, Photosystem I XFEL at 2.9 A | | 分子名称: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | | 著者 | Fromme, R, Gisriel, C, Fromme, P. | | 登録日 | 2019-06-24 | | 公開日 | 2019-11-27 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Membrane protein megahertz crystallography at the European XFEL.
Nat Commun, 10, 2019
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7NEV
 | | Structure of the hemiacetal complex between the SARS-CoV-2 Main Protease and Leupeptin | | 分子名称: | 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Guenther, S, Reinke, P.Y.A, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H.M, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashhour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Xavier, P.L, Ullah, N, Andaleeb, H, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Zaitsev-Doyle, J.J, Rogers, C, Gieseler, H, Melo, D, Monteiro, D.C.F, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schluenzen, F, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Sun, X, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | | 登録日 | 2021-02-05 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
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5JKS
 | | vaccinia virus D4 R167A mutant /A20(1-50) | | 分子名称: | DNA polymerase processivity factor component A20, SULFATE ION, Uracil-DNA glycosylase | | 著者 | Contesto-Richefeu, C, Tarbouriech, N, Brazzolotto, X, Burmeister, W.P, Peyrefitte, C.N, Iseni, F. | | 登録日 | 2016-04-26 | | 公開日 | 2016-09-14 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.79 Å) | | 主引用文献 | Structural analysis of point mutations at the Vaccinia virus A20/D4 interface.
Acta Crystallogr.,Sect.F, 72, 2016
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4V1O
 | | Architecture of the RNA polymerase II-Mediator core transcription initiation complex | | 分子名称: | DNA-DIRECTED RNA POLYMERASE II SUBUNIT RPB1, DNA-DIRECTED RNA POLYMERASE II SUBUNIT RPB11, DNA-DIRECTED RNA POLYMERASE II SUBUNIT RPB2, ... | | 著者 | Plaschka, C, Lariviere, L, Wenzeck, L, Hemann, M, Tegunov, D, Petrotchenko, E.V, Borchers, C.H, Baumeister, W, Herzog, F, Villa, E, Cramer, P. | | 登録日 | 2014-09-29 | | 公開日 | 2015-02-04 | | 最終更新日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (9.7 Å) | | 主引用文献 | Architecture of the RNA Polymerase II-Mediator Core Initiation Complex.
Nature, 518, 2015
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5JAF
 | | LeuT Na+-free Return State, C2 form at pH 5 | | 分子名称: | Transporter, octyl beta-D-glucopyranoside | | 著者 | Malinauskaite, L, Sahin, C, Said, S, Grouleff, J, Shahsavar, A, Bjerregaard, H, Noer, P, Severinsen, K, Boesen, T, Schiott, B, Sinning, S, Nissen, P. | | 登録日 | 2016-04-12 | | 公開日 | 2016-06-01 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (3.021 Å) | | 主引用文献 | A conserved leucine occupies the empty substrate site of LeuT in the Na(+)-free return state.
Nat Commun, 7, 2016
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4W4U
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5JEZ
 | | Crystal structure of type 2 PDF from Streptococcus agalactiae in complex with tripeptide Met-Ala-Ser | | 分子名称: | ACETATE ION, Met-Ala-Ser, Peptide deformylase, ... | | 著者 | Fieulaine, S, Giglione, C, Meinnel, T. | | 登録日 | 2016-04-19 | | 公開日 | 2016-11-30 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | A unique peptide deformylase platform to rationally design and challenge novel active compounds.
Sci Rep, 6, 2016
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5JF7
 | | Crystal structure of type 2 PDF from Streptococcus agalactiae in complex with inhibitor SMP289 | | 分子名称: | 2-(3-benzyl-5-bromo-1H-indol-1-yl)-N-hydroxyacetamide, ACETATE ION, IMIDAZOLE, ... | | 著者 | Fieulaine, S, Giglione, C, Meinnel, T, Hamiche, K. | | 登録日 | 2016-04-19 | | 公開日 | 2016-11-30 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | A unique peptide deformylase platform to rationally design and challenge novel active compounds.
Sci Rep, 6, 2016
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5JIW
 | | Crystal structure of Thermus aquaticus amylomaltase (GH77) in complex with a 34-meric cycloamylose | | 分子名称: | 1,2-ETHANEDIOL, 4-alpha-glucanotransferase, CARBONATE ION, ... | | 著者 | Roth, C, Bexten, N, Weizenmann, N, Saenger, T, Maier, T, Zimmermann, W, Straeter, N. | | 登録日 | 2016-04-22 | | 公開日 | 2017-01-25 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Amylose recognition and ring-size determination of amylomaltase.
Sci Adv, 3, 2017
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5JL7
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4W9D
 | | pVHL:EloB:EloC in complex with (2S,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methyloxazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 3) | | 分子名称: | (4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[4-(4-methyl-1,3-oxazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ... | | 著者 | Gadd, M.S, Hewitt, S, Galdeano, C, van Molle, I, Ciulli, A. | | 登録日 | 2014-08-27 | | 公開日 | 2014-09-10 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities.
J.Med.Chem., 57, 2014
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4USV
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4UR4
 | | Structure of the type III fish antifreeze protein from Zoarces viviparus ZvAFP13 | | 分子名称: | ANTIFREEZE PROTEIN 13 | | 著者 | Wilkens, C, Poulsen, J.-C.N, Ramloev, H, Lo Leggio, L. | | 登録日 | 2014-06-26 | | 公開日 | 2014-07-23 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Purification, Crystal Structure Determination and Functional Characterization of Type III Antifreeze Proteins from the European Eelpout Zoarces Viviparus.
Cryobiology, 69, 2014
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5JGI
 | | X-ray structure of neuropilin-1 b1 domain complexed with M45 compound | | 分子名称: | N-ALPHA-L-ACETYL-ARGININE, Neuropilin-1 | | 著者 | Fotinou, C, Rana, R, Djordjevic, S, Yelland, T. | | 登録日 | 2016-04-20 | | 公開日 | 2017-05-10 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | Architecture and hydration of the arginine-binding site of neuropilin-1.
FEBS J., 285, 2018
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4V01
 | | FGFR1 in complex with ponatinib (co-crystallisation). | | 分子名称: | 1,2-ETHANEDIOL, 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, FIBROBLAST GROWTH FACTOR RECEPTOR 1 (FMS-RELATED TYROSINE KINASE 2, ... | | 著者 | Tucker, J, Klein, T, Breed, J, Breeze, A, Overman, R, Phillips, C, Norman, R.A. | | 登録日 | 2014-09-10 | | 公開日 | 2014-12-10 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | Structural Insights Into Fgfr Kinase Isoform Selectivity: Diverse Binding Modes of Azd4547 and Ponatinib in Complex with Fgfr1 and Fgfr4
Structure, 22, 2014
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4UU3
 | | Ferulic acid decarboxylase from Enterobacter sp. | | 分子名称: | FERULIC ACID DECARBOXYLASE | | 著者 | Hromic, A, Pavkov-Keller, T, Steinkellner, G, Lyskowski, A, Wuensch, C, Gross, J, Fuchs, M, Fauland, K, Glueck, S.M, Faber, K, Gruber, K. | | 登録日 | 2014-07-24 | | 公開日 | 2015-06-10 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | | 主引用文献 | Regioselective Enzymatic Beta-Carboxylation of Para-Hydroxy-Styrene Derivatives Catalyzed by Phenolic Acid Decarboxylases.
Adv. Synth. Catal., 357, 2015
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4UY1
 | | Novel pyrazole series of group X Secretory Phospholipase A2 (sPLA2-X) inhibitors | | 分子名称: | 5-(2,5-DIMETHYL-3-THIENYL)-1H-PYRAZOLE-3-CARBOXAMIDE, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Sandmark, J, Oster, L, Hallberg, K, Bodin, C, Chen, H. | | 登録日 | 2014-08-28 | | 公開日 | 2014-10-15 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Discovery of a Novel Pyrazole Series of Group X Secreted Phospholipase A2 Inhibitor (Spla2X) Via Fragment Based Virtual Screening
Bioorg.Med.Chem.Lett., 24, 2014
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4V74
 | | 70S-fMetVal-tRNAVal-tRNAfMet complex in hybrid pre-translocation state (pre5b) | | 分子名称: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | 著者 | Blau, C, Bock, L.V, Schroder, G.F, Davydov, I, Fischer, N, Stark, H, Rodnina, M.V, Vaiana, A.C, Grubmuller, H. | | 登録日 | 2013-10-14 | | 公開日 | 2014-07-09 | | 最終更新日 | 2024-10-30 | | 実験手法 | ELECTRON MICROSCOPY (17 Å) | | 主引用文献 | Energy barriers and driving forces in tRNA translocation through the ribosome.
Nat.Struct.Mol.Biol., 20, 2013
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5JF8
 | | Crystal structure of type 2 PDF from Streptococcus agalactiae in complex with inhibitor RAS358 (21) | | 分子名称: | ACETATE ION, IMIDAZOLE, Peptide deformylase, ... | | 著者 | Fieulaine, S, Giglione, C, Meinnel, T. | | 登録日 | 2016-04-19 | | 公開日 | 2016-11-30 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | A unique peptide deformylase platform to rationally design and challenge novel active compounds.
Sci Rep, 6, 2016
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4W8Z
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5JL6
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