8HEF
 
 | | The Crystal structure of deuterated S-217622 (Ensitrelvir) bound to the main protease (3CLpro/Mpro) of SARS-CoV-2 | | 分子名称: | 3C-like proteinase, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, GLYCEROL | | 著者 | Yan, M, Zhang, H. | | 登録日 | 2022-11-08 | | 公開日 | 2023-04-19 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | | 主引用文献 | Synthesis of deuterated S-217622 (Ensitrelvir) with antiviral activity against coronaviruses including SARS-CoV-2.
Antiviral Res., 213, 2023
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7CII
 | | Crystal structure of L-methionine decarboxylase from Streptomyces sp.590 in complexed with L- methionine methyl ester (external aldimine form). | | 分子名称: | L-methionine decarboxylase, methyl (2S)-2-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-4-methylsulfanyl-butanoate | | 著者 | Okawa, A, Shiba, T, Hayashi, M, Onoue, Y, Murota, M, Sato, D, Inagaki, J, Tamura, T, Harada, S, Inagaki, K. | | 登録日 | 2020-07-07 | | 公開日 | 2021-01-27 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | | 主引用文献 | Structural basis for substrate specificity of l-methionine decarboxylase.
Protein Sci., 30, 2021
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5JAM
 | | Yersinia pestis FabV variant T276V | | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DIMETHYL SULFOXIDE, Enoyl-[acyl-carrier-protein] reductase [NADH] | | 著者 | Pschibul, A, Kuper, J, HIrschbeck, M, Kisker, C. | | 登録日 | 2016-04-12 | | 公開日 | 2016-05-25 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia pestis FabV Enoyl-ACP Reductase.
Biochemistry, 55, 2016
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6GO4
 | | TdT chimera (Loop1 of pol mu) - binary complex with ddCTP | | 分子名称: | 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, DNA nucleotidylexotransferase,DNA-directed DNA/RNA polymerase mu,DNA nucleotidylexotransferase, MAGNESIUM ION, ... | | 著者 | Loc'h, J, Gerodimos, C.A, Rosario, S, Lieber, M.R, Delarue, M. | | 登録日 | 2018-06-01 | | 公開日 | 2019-06-05 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Structural evidence for an intransbase selection mechanism involving Loop1 in polymerase mu at an NHEJ double-strand break junction.
J.Biol.Chem., 294, 2019
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5LWX
 | | Crystal structure of the H253D mutant of McoG from Aspergillus niger | | 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, COPPER (II) ION, ... | | 著者 | Ferraroni, M, Briganti, F, Tamayo-Ramos, J.A, van Berkel, W.J.H, Westphal, A.H. | | 登録日 | 2016-09-19 | | 公開日 | 2017-05-03 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | Structure and function of Aspergillus niger laccase McoG
Biocatalysis, 2017
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1GJQ
 | | Pseudomonas aeruginosa cd1 nitrite reductase reduced cyanide complex | | 分子名称: | CYANIDE ION, HEME C, HEME D, ... | | 著者 | Nurizzo, D, Brown, K, Tegoni, M, Cambillau, C. | | 登録日 | 2001-08-01 | | 公開日 | 2002-08-01 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Cyanide Binding to Cd(1) Nitrite Reductase from Pseudomonas Aeruginosa: Role of the Active-Site His369 in Ligand Stabilization.
Biochem.Biophys.Res.Commun., 291, 2002
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2V3Q
 | | Serendipitous discovery and X-ray structure of a human phosphate binding apolipoprotein | | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, HUMAN PHOSPHATE BINDING PROTEIN, ... | | 著者 | Morales, R, Berna, A, Carpentier, P, Elias, M, Contreras-Martel, C, Renault, F, Nicodeme, M, Chesne-Seck, M.-L, Bernier, F, Dupuy, J, Schaeffer, C, Diemer, H, Van Dorsselaer, A, Fontecilla, J.C, Masson, P, Rochu, D, Chabriere, E. | | 登録日 | 2007-06-20 | | 公開日 | 2008-07-22 | | 最終更新日 | 2016-01-27 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Tandem Use of X-Ray Crystallography and Mass Spectrometry to Obtain Ab Initio the Complete and Exact Amino Acids Sequence of Hpbp, a Human 38kDa Apolipoprotein
Proteins: Struct., Funct., Bioinf., 71, 2008
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6IC7
 | | Human cathepsin-C in complex with dipeptidyl cyclopropyl nitrile inhibitor 3 | | 分子名称: | 1-azanyl-~{N}-[(1~{R},2~{R})-1-cyano-2-[4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]cyclopropyl]cyclohexane-1-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | 著者 | Hakansson, M, Logan, D.T, Korkmaz, B, Lesner, A, Wysocka, M, Gieldon, A, Gauthier, F, Jenne, D, Lauritzen, C, Pedersen, J. | | 登録日 | 2018-12-02 | | 公開日 | 2019-04-24 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure-based design and in vivo anti-arthritic activity evaluation of a potent dipeptidyl cyclopropyl nitrile inhibitor of cathepsin C.
Biochem. Pharmacol., 164, 2019
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2V9H
 | | Solution Structure of an Escherichia coli YaeT tandem POTRA domain | | 分子名称: | OUTER MEMBRANE PROTEIN ASSEMBLY FACTOR YAET | | 著者 | Knowles, T.J, Jeeves, M, Bobat, S, Dancea, F, Mcclelland, D.M, Palmer, T, Overduin, M, Henderson, I.R. | | 登録日 | 2007-08-23 | | 公開日 | 2008-05-06 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Fold and Function of Polypeptide Transport-Associated Domains Responsible for Delivering Unfolded Proteins to Membranes.
Mol.Microbiol., 68, 2008
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6XPC
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2VEN
 | | Structure-based enzyme engineering efforts with an inactive monomeric TIM variant: the importance of a single point mutation for generating an active site with suitable binding properties | | 分子名称: | CITRIC ACID, GLYCOSOMAL TRIOSEPHOSPHATE ISOMERASE | | 著者 | Alahuhta, M, Salin, M, Casteleijn, M.G, Kemmer, C, El-Sayed, I, Augustyns, K, Neubauer, P, Wierenga, R.K. | | 登録日 | 2007-10-25 | | 公開日 | 2008-02-19 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure-Based Protein Engineering Efforts with a Monomeric Tim Variant: The Importance of a Single Point Mutation for Generating an Active Site with Suitable Binding Properties.
Protein Eng.Des.Sel., 21, 2008
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3JYY
 | | SeMet LinB complexed with PPi | | 分子名称: | Lincosamide nucleotidyltransferase, MAGNESIUM ION, PYROPHOSPHATE | | 著者 | Morar, M, Wright, G.D. | | 登録日 | 2009-09-22 | | 公開日 | 2009-11-03 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structure and mechanism of the lincosamide antibiotic adenylyltransferase LinB.
Structure, 17, 2009
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1GL4
 | | Nidogen-1 G2/Perlecan IG3 Complex | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BASEMENT MEMBRANE-SPECIFIC HEPARAN SULFATE PROTEOGLYCAN CORE PROTEIN, NIDOGEN-1, ... | | 著者 | Kvansakul, M, Hopf, M, Ries, A, Timpl, R, Hohenester, E. | | 登録日 | 2001-08-23 | | 公開日 | 2001-11-28 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural Basis for the High-Affinity Interaction of Nidogen-1 with Immunoglobulin-Like Domain 3 of Perlecan
Embo J., 20, 2001
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2V96
 | | Structure of the unphotolysed complex of TcAChE with 1-(2- nitrophenyl)-2,2,2-trifluoroethyl-arsenocholine at 100K | | 分子名称: | 1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-arsenocholine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE | | 著者 | Colletier, J.-P, Sanson, B, Royant, A, Specht, A, Nachon, F, Masson, P, Zaccai, G, Sussman, J.L, Goeldner, M, Silman, I, Bourgeois, D, Weik, M. | | 登録日 | 2007-08-22 | | 公開日 | 2007-11-20 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Use of a 'Caged' Analog to Study Traffic of Choline within Acetylcholinesterase by Kinetic Crystallography
Acta Crystallogr.,Sect.D, 63, 2007
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5HP5
 | | Srtucture of human peptidylarginine deiminase type I (PAD1) | | 分子名称: | CALCIUM ION, Protein-arginine deiminase type-1 | | 著者 | Unno, M, Nagai, A, Saijo, S, Shimizu, N, Kinjo, S, Mashimo, R, Kizawa, K, Takahara, H. | | 登録日 | 2016-01-20 | | 公開日 | 2016-07-27 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (3.198 Å) | | 主引用文献 | Monomeric Form of Peptidylarginine Deiminase Type I Revealed by X-ray Crystallography and Small-Angle X-ray Scattering
J.Mol.Biol., 428, 2016
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6GLZ
 | | [FeFe]-hydrogenase CpI from Clostridium pasteurianum, variant C299D | | 分子名称: | FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER, Iron hydrogenase 1, ... | | 著者 | Duan, J, Esselborn, J, Hofmann, E, Winkler, M, Happe, T. | | 登録日 | 2018-05-24 | | 公開日 | 2018-11-07 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Crystallographic and spectroscopic assignment of the proton transfer pathway in [FeFe]-hydrogenases.
Nat Commun, 9, 2018
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6XRZ
 | | The 28-kDa Frameshift Stimulation Element from the SARS-CoV-2 RNA Genome | | 分子名称: | Frameshift Stimulation Element from the SARS-CoV-2 RNA Genome | | 著者 | Zhang, K, Zheludev, I, Hagey, R, Wu, M, Haslecker, R, Hou, Y, Kretsch, R, Pintilie, G, Rangan, R, Kladwang, W, Li, S, Pham, E, Souibgui, C, Baric, R, Sheahan, T, Souza, V, Glenn, J, Chiu, W, Das, R. | | 登録日 | 2020-07-14 | | 公開日 | 2020-08-19 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (6.9 Å) | | 主引用文献 | Cryo-electron Microscopy and Exploratory Antisense Targeting of the 28-kDa Frameshift Stimulation Element from the SARS-CoV-2 RNA Genome.
Biorxiv, 2020
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6Z4C
 | | The structure of the N-terminal domain of RssB from E. coli | | 分子名称: | Regulator of RpoS | | 著者 | Zeth, K, Dimce, M, Terrence, D.M, Schuenemann, V, Dougan, D. | | 登録日 | 2020-05-25 | | 公開日 | 2020-07-29 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Insight into the RssB-Mediated Recognition and Delivery of sigma s to the AAA+ Protease, ClpXP.
Biomolecules, 10, 2020
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7AKZ
 | | Deciphering the role of the channel constrictions in the opening mechanism of MexAB-OprM efflux pump from Pseudomonas aeruginosa | | 分子名称: | Outer membrane protein OprM, PALMITIC ACID, octyl beta-D-glucopyranoside | | 著者 | Ntsogo Enguene, V.Y, Monlezun, L, Ma, M, Garnier, C, Lascombe, M.B, Salem, M, Guenard, S, Plesiat, P, Llanes, C, Phan, G, Broutin, I. | | 登録日 | 2020-10-02 | | 公開日 | 2022-04-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Deciphering the role of the channel constrictions in the opening mechanism of MexAB-OprM efflux pump from Pseudomonas aeruginosa
To Be Published
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5NTU
 | | Crystal Structure of human Pro-myostatin Precursor at 2.6 A Resolution | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Growth/differentiation factor 8 | | 著者 | Cotton, T.R, Fischer, G, Hyvonen, M. | | 登録日 | 2017-04-28 | | 公開日 | 2018-01-17 | | 最終更新日 | 2018-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | | 主引用文献 | Structure of the human myostatin precursor and determinants of growth factor latency.
EMBO J., 37, 2018
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2V7R
 | | Crystal structure of a human tRNAGly microhelix at 1.2 Angstrom resolution | | 分子名称: | HUMAN TRNAGLY MICROHELIX | | 著者 | Foerster, C, Mankowska, M, Fuerste, J.P, Perbandt, M, Betzel, C, Erdmann, V.A. | | 登録日 | 2007-08-01 | | 公開日 | 2008-03-18 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Crystal Structure of a Human Trnagly Microhelix at 1.2 A Resolution.
Biochem.Biophys.Res.Commun., 368, 2008
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7ALE
 | | Crystal structure of human PAICS in complex with inhibitor 69 | | 分子名称: | (2~{S})-2-[[5-azanyl-1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]imidazol-4-yl]car bonylamino]butanedioic acid, 2-azanyl-~{N}-[2-bromanyl-5-[4-[3-(dimethylamino)propylsulfonyl]piperazin-1-yl]phenyl]-1,3-oxazole-4-carboxamide, Multifunctional protein ADE2 | | 著者 | Skerlova, J, Marttila, P, Unterlass, J, Jemth, A.-S, Henriksson, M, Wakchaure, P, Grube, M, Warpman Berglund, U, Homan, E, Helleday, T, Stenmark, P. | | 登録日 | 2020-10-06 | | 公開日 | 2022-04-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | Cellular and biochemical validation of a potent PAICS inhibitor
To Be Published
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5NY1
 | | Carbonic Anhydrase II Inhibitor RA10 | | 分子名称: | 3,6,7-trimethyl-~{N}-[(4-sulfamoylphenyl)methyl]-1-benzofuran-2-carboxamide, Carbonic anhydrase 2, ZINC ION | | 著者 | Brynda, J, Rezacova, P, Horejsi, M, Fanfrlik, J. | | 登録日 | 2017-05-11 | | 公開日 | 2018-01-17 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes.
Chemphyschem, 19, 2018
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1GON
 | | b-glucosidase from Streptomyces sp | | 分子名称: | BETA-GLUCOSIDASE, MERCURY (II) ION, SULFATE ION | | 著者 | Guasch, A, Perez-Pons, J.A, Vallmitjana, M, Querol, E, Coll, M. | | 登録日 | 2001-10-22 | | 公開日 | 2002-11-07 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystal Structure of a Family 1 Beta-Glucosidase from Streptomyces
To be Published
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6GIC
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