6EO9
 
 | | Crystal structure of thrombin in complex with a novel glucose-conjugated potent inhibitor | | 分子名称: | DIMETHYL SULFOXIDE, Hirudin variant-2, N-(2-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methoxy}-6-{3-[(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy]propoxy}phenyl)-1-(propan-2-yl)piperidine-4-carboxamide, ... | | 著者 | Belviso, B.D, Caliandro, R, Aresta, B.M, De Candia, M, Altomare, C.D. | | 登録日 | 2017-10-09 | | 公開日 | 2017-12-13 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | How a beta-D-glucoside side chain enhances binding affinity to thrombin of inhibitors bearing 2-chlorothiophene as P1 moiety: crystallography, fragment deconstruction study, and evaluation of antithrombotic properties.
J. Med. Chem., 57, 2014
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2WOK
 | | Clavulanic acid biosynthesis oligopeptide binding protein 2 complexed with bradykinin | | 分子名称: | CLAVULANIC ACID BIOSYNTHESIS OLIGOPEPTIDE BINDING PROTEIN 2, GLYCEROL, Kininogen-1 | | 著者 | Mackenzie, A.K, Valegard, K, Iqbal, A, Caines, M.E.C, Kershaw, N.J, Jensen, S.E, Schofield, C.J, Andersson, I. | | 登録日 | 2009-07-26 | | 公開日 | 2009-12-08 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Crystal structures of an oligopeptide-binding protein from the biosynthetic pathway of the beta-lactamase inhibitor clavulanic acid.
J. Mol. Biol., 396, 2010
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4Y9Y
 | | Yeast 20S proteasome beta2-H116E mutant | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, Proteasome subunit alpha type-1, ... | | 著者 | Huber, E.M, Groll, M. | | 登録日 | 2015-02-17 | | 公開日 | 2015-06-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Systematic Analyses of Substrate Preferences of 20S Proteasomes Using Peptidic Epoxyketone Inhibitors.
J.Am.Chem.Soc., 137, 2015
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5EDD
 | | Crystal structure of Mycobacterium tuberculosis dUTPase R140K, H145W mutant | | 分子名称: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ... | | 著者 | Nagy, G.N, Leveles, I, Lopata, A, Harmat, V, Toth, J, Vertessy, G.B. | | 登録日 | 2015-10-21 | | 公開日 | 2016-11-02 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Structural Characterization of Arginine Fingers: Identification of an Arginine Finger for the Pyrophosphatase dUTPases.
J. Am. Chem. Soc., 138, 2016
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9DU3
 | | SARS-CoV-2 Mpro in complex with compound 1 | | 分子名称: | 3C-like proteinase nsp5, N-[(2S)-3-cyclopropyl-1-({(2R)-1-hydroxy-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide | | 著者 | Bigelow, L, Tang, H, Boguslaw, N, Duda, D.M. | | 登録日 | 2024-10-02 | | 公開日 | 2025-04-30 | | 最終更新日 | 2025-08-06 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Inhibition of dimeric SARS-CoV-2 Mpro displays positive cooperativity and a mixture of covalent and non-covalent binding.
Iscience, 28, 2025
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4YA1
 | | Yeast 20S proteasome beta2-H116N mutant | | 分子名称: | CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ... | | 著者 | Huber, E.M, Groll, M. | | 登録日 | 2015-02-17 | | 公開日 | 2015-06-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Systematic Analyses of Substrate Preferences of 20S Proteasomes Using Peptidic Epoxyketone Inhibitors.
J.Am.Chem.Soc., 137, 2015
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4M8B
 | | Fungal Protein | | 分子名称: | 1,2-ETHANEDIOL, Chain A of dsDNA containing the cis-regulatory element, Chain B of dsDNA containing the cis-regulatory element, ... | | 著者 | Rosenberg, O.S, Lohse, M.L, Stroud, R.M, Johnson, A.D. | | 登録日 | 2013-08-13 | | 公開日 | 2014-06-25 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | | 主引用文献 | Structure of a new DNA-binding domain which regulates pathogenesis in a wide variety of fungi.
Proc.Natl.Acad.Sci.USA, 111, 2014
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1A54
 | | PHOSPHATE-BINDING PROTEIN MUTANT A197C LABELLED WITH A COUMARIN FLUOROPHORE AND BOUND TO DIHYDROGENPHOSPHATE ION | | 分子名称: | DIHYDROGENPHOSPHATE ION, N-[2-(1-MALEIMIDYL)ETHYL]-7-DIETHYLAMINOCOUMARIN-3-CARBOXAMIDE, Phosphate-binding protein PstS | | 著者 | Hirshberg, M, Henrick, K, Lloyd-Haire, L, Vasisht, N, Brune, M, Corrie, J.E.T, Webb, M.R. | | 登録日 | 1998-02-19 | | 公開日 | 1998-10-14 | | 最終更新日 | 2024-12-25 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Crystal structure of phosphate binding protein labeled with a coumarin fluorophore, a probe for inorganic phosphate.
Biochemistry, 37, 1998
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7JQ5
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5ZOB
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2XS1
 | | Crystal Structure of ALIX in complex with the SIVmac239 PYKEVTEDL Late Domain | | 分子名称: | GAG POLYPROTEIN, PROGRAMMED CELL DEATH 6-INTERACTING PROTEIN | | 著者 | Zhai, Q, Landesman, M, Robinson, H, Sundquist, W.I, Hill, C.P. | | 登録日 | 2010-09-24 | | 公開日 | 2010-11-03 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.296 Å) | | 主引用文献 | Identification and Structural Characterization of the Alix-Binding Late Domains of Sivmac239 and Sivagmtan-1.
J.Virol., 85, 2011
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7FBT
 | | Crystal structure of chitinase (RmChi1) from Rhizomucor miehei (sp p32 2 1, MR) | | 分子名称: | Chitinase, MAGNESIUM ION | | 著者 | Jiang, Z.Q, Hu, S.Q, Zhu, Q, Liu, Y.C, Ma, J.W, Yan, Q.J, Gao, Y.G, Yang, S.Q. | | 登録日 | 2021-07-12 | | 公開日 | 2021-08-11 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal structure of a chitinase (RmChiA) from the thermophilic fungus Rhizomucor miehei with a real active site tunnel.
Biochim Biophys Acta Proteins Proteom, 1869, 2021
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5HEN
 | | Crystal structure of the N-terminus R100L bromodomain mutant of human BRD2 | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 2 | | 著者 | Tallant, C, Lori, C, Pasquo, A, Chiaraluce, R, Consalvi, V, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S. | | 登録日 | 2016-01-06 | | 公開日 | 2016-01-20 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Crystal structure of the N-terminus R100L bromodomain mutant of human BRD2
To Be Published
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5TNL
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6EOY
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7NA8
 | | Structures of human ghrelin receptor-Gi complexes with ghrelin and a synthetic agonist | | 分子名称: | 1-(methanesulfonyl)-1'-(2-methyl-L-alanyl-O-benzyl-D-seryl)-1,2-dihydrospiro[indole-3,4'-piperidine], Antibody fragment, CHOLESTEROL, ... | | 著者 | Liu, H, Sun, D, Sun, J, Zhang, C. | | 登録日 | 2021-06-20 | | 公開日 | 2021-12-15 | | 最終更新日 | 2025-05-28 | | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | | 主引用文献 | Structural basis of human ghrelin receptor signaling by ghrelin and the synthetic agonist ibutamoren
Nat Commun, 12, 2021
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7GJQ
 | | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-78e1d523-1 (Mpro-P0627) | | 分子名称: | (4R)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzothiopyran-4-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE | | 著者 | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | | 登録日 | 2023-08-11 | | 公開日 | 2023-11-08 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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7GLL
 | | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with EDJ-MED-4fff0a85-1 (Mpro-P1988) | | 分子名称: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(oxan-4-yl)methanesulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide, 3C-like proteinase, CHLORIDE ION, ... | | 著者 | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | | 登録日 | 2023-08-11 | | 公開日 | 2023-11-08 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.905 Å) | | 主引用文献 | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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6EKS
 | | Vibrio cholerae neuraminidase complexed with oseltamivir carboxylate | | 分子名称: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, GLYCEROL, ... | | 著者 | Schuetz, A, Heinemann, U. | | 登録日 | 2017-09-27 | | 公開日 | 2017-11-29 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Different Inhibitory Potencies of Oseltamivir Carboxylate, Zanamivir, and Several Tannins on Bacterial and Viral Neuraminidases as Assessed in a Cell-Free Fluorescence-Based Enzyme Inhibition Assay.
Molecules, 22, 2017
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3HRB
 | | p38 kinase Crystal structure in complex with small molecule inhibitor | | 分子名称: | Mitogen-activated protein kinase 14, [3-amino-2-(2-methylphenyl)-1-oxidopyridin-4-yl](2,4-difluorophenyl)methanone | | 著者 | Segarra, V, Lumeras, W, Vidal, B, Leonard, P, Fisher, M, Lamers, M. | | 登録日 | 2009-06-09 | | 公開日 | 2009-09-01 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Design, synthesis, and structure-activity relationships of aminopyridine N-oxides, a novel scaffold for the potent and selective inhibition of p38 mitogen activated protein kinase
J.Med.Chem., 52, 2009
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4PY7
 | | Crystal Structure of Fab 3.1 | | 分子名称: | antibody 3.1 heavy chain, antibody 3.1 light chain | | 著者 | Dreyfus, C. | | 登録日 | 2014-03-26 | | 公開日 | 2014-05-21 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Alternative Recognition of the Conserved Stem Epitope in Influenza A Virus Hemagglutinin by a VH3-30-Encoded Heterosubtypic Antibody.
J.Virol., 88, 2014
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3R4K
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1OB9
 | | Holliday Junction Resolving Enzyme | | 分子名称: | 1,2-ETHANEDIOL, FORMIC ACID, HOLLIDAY JUNCTION RESOLVASE | | 著者 | Middleton, C.L, Parker, J.L, Richard, D.J, White, M.F, Bond, C.S. | | 登録日 | 2003-01-28 | | 公開日 | 2004-10-15 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Substrate Recognition and Catalysis by the Holliday Junction Resolving Enzyme Hje.
Nucleic Acids Res., 32, 2004
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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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9EK7
 | | Crystal structure of MAIT TCR in complex with MR1-5FdU | | 分子名称: | 1-(2-deoxy-alpha-D-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione, ACETATE ION, Beta-2-microglobulin, ... | | 著者 | Awad, W, Rossjohn, J. | | 登録日 | 2024-12-01 | | 公開日 | 2025-05-07 | | 最終更新日 | 2025-05-21 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Mitochondria regulate MR1 protein expression and produce self-metabolites that activate MR1-restricted T cells.
Proc.Natl.Acad.Sci.USA, 122, 2025
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