1CDP
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3K9X
| X-ray crystal structure of human fxa in complex with (S)-N-((2-METHYLBENZOFURAN-5-YLAMINO)(2-OXO-1-(2-OXO-2- (PYRROLIDIN-1-YL)ETHYL)AZEPAN-3- YLAMINO)METHYLENE)NICOTINAMIDE | 分子名称: | CALCIUM ION, GLYCEROL, N-{N'-(2-methyl-1-benzofuran-5-yl)-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl}pyridine-3-carboxamide, ... | 著者 | Klei, H.E, Kish, K, Ghosh, K, Rushith, A. | 登録日 | 2009-10-16 | 公開日 | 2009-12-15 | 最終更新日 | 2017-11-01 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Aroylguanidine-based factor Xa inhibitors: the discovery of BMS-344577 Bioorg.Med.Chem.Lett., 19, 2009
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2ASJ
| oxoG-modified Preinsertion Binary Complex | 分子名称: | 5'-D(*CP*TP*AP*AP*CP*(8OG)*CP*TP*AP*CP*CP*AP*TP*CP*CP*AP*AP*CP*C)-3', 5'-D(*GP*GP*TP*TP*GP*GP*AP*TP*GP*GP*TP*AP*(DDG))-3', CALCIUM ION, ... | 著者 | Rechkoblit, O, Malinina, L, Cheng, Y, Kuryavyi, V, Broyde, S, Geacintov, N.E, Patel, D.J. | 登録日 | 2005-08-23 | 公開日 | 2006-01-10 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Stepwise Translocation of Dpo4 Polymerase during Error-Free Bypass of an oxoG Lesion Plos Biol., 4, 2006
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3CLC
| Crystal Structure of the Restriction-Modification Controller Protein C.Esp1396I Tetramer in Complex with its Natural 35 Base-Pair Operator | 分子名称: | 35-MER, MAGNESIUM ION, Regulatory protein | 著者 | McGeehan, J.E, Streeter, S.D, Thresh, S.J, Ball, N, Ravelli, R.B, Kneale, G.G. | 登録日 | 2008-03-18 | 公開日 | 2008-07-29 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structural analysis of the genetic switch that regulates the expression of restriction-modification genes. Nucleic Acids Res., 36, 2008
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8DQ0
| Quorum-sensing receptor RhlR bound to PqsE | 分子名称: | 2-aminobenzoylacetyl-CoA thioesterase, 4-(3-bromophenoxy)-N-[(3S)-2-oxothiolan-3-yl]butanamide, RhlR protein | 著者 | Paczkowski, J.E, Fromme, J.C, Feathers, J.R. | 登録日 | 2022-07-18 | 公開日 | 2022-12-07 | 最終更新日 | 2024-06-12 | 実験手法 | ELECTRON MICROSCOPY (3.74 Å) | 主引用文献 | Structure of the RhlR-PqsE complex from Pseudomonas aeruginosa reveals mechanistic insights into quorum-sensing gene regulation. Structure, 30, 2022
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8DQ1
| Quorum-sensing receptor RhlR bound to PqsE | 分子名称: | 2-aminobenzoylacetyl-CoA thioesterase, 4-(3-bromophenoxy)-N-[(3S)-2-oxothiolan-3-yl]butanamide, DNA (5'-D(*AP*CP*CP*TP*GP*CP*CP*AP*GP*AP*CP*TP*GP*CP*AP*CP*AP*G)-3'), ... | 著者 | Paczkowski, J.E, Fromme, J.C, Feathers, J.R. | 登録日 | 2022-07-18 | 公開日 | 2022-12-07 | 最終更新日 | 2024-06-12 | 実験手法 | ELECTRON MICROSCOPY (4.1 Å) | 主引用文献 | Structure of the RhlR-PqsE complex from Pseudomonas aeruginosa reveals mechanistic insights into quorum-sensing gene regulation. Structure, 30, 2022
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8RJZ
| Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the non-covalent inhibitor GUE-3801 (compound 80 in publication) | 分子名称: | (7~{S})-6-[2-[2,4-bis(chloranyl)phenoxy]ethanoyl]-14-fluoranyl-10-(iminomethyl)-9-methyl-7-(phenylmethyl)-2-oxa-6,9,10-triazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-8-one, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3C-like proteinase nsp5, ... | 著者 | Strater, N, Claff, T, Sylvester, K, Mueller, C.E, Guetschow, M, Useini, A. | 登録日 | 2023-12-22 | 公開日 | 2024-05-29 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Macrocyclic Azapeptide Nitriles: Structure-Based Discovery of Potent SARS-CoV-2 Main Protease Inhibitors as Antiviral Drugs. J.Med.Chem., 67, 2024
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7UWH
| CryoEM Structure of E. coli Transcription-Coupled Ribonucleotide Excision Repair (TC-RER) complex bound to ribonucleotide substrate | 分子名称: | DNA (59-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | 著者 | Hao, Z.T, Grower, M, Bharati, B, Proshkin, S, Epshtein, V, Svetlov, V, Nudler, E, Shamovsky, I. | 登録日 | 2022-05-03 | 公開日 | 2023-05-31 | 最終更新日 | 2024-06-12 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | RNA polymerase drives ribonucleotide excision DNA repair in E. coli. Cell, 186, 2023
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1OU4
| Native PNP +Talo | 分子名称: | 6-METHYLPURINE, PHOSPHATE ION, Purine nucleoside phosphorylase | 著者 | Ealick, S.E, Bennett, E.M, Anand, R, Secrist, J.A, Parker, W.B, Hassan, A.E, Allan, P.W, McPherson, D.T, Sorscher, E.J. | 登録日 | 2003-03-24 | 公開日 | 2004-02-17 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Designer gene therapy using an Escherichia coli purine nucleoside phosphorylase/prodrug system. Chem.Biol., 10, 2003
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1RFA
| NMR SOLUTION STRUCTURE OF THE RAS-BINDING DOMAIN OF C-RAF-1 | 分子名称: | RAF1 | 著者 | Emerson, S.D, Madison, V.S, Palermo, R.E, Waugh, D.S, Scheffler, J.E, Tsao, K.-L, Kiefer, S.E, Liu, S.P, Fry, D.C. | 登録日 | 1995-04-26 | 公開日 | 1996-06-20 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure of the Ras-binding domain of c-Raf-1 and identification of its Ras interaction surface. Biochemistry, 34, 1995
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7UWE
| CryoEM Structure of E. coli Transcription-Coupled Ribonucleotide Excision Repair (TC-RER) complex | 分子名称: | DNA (29-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | 著者 | Hao, Z.T, Grower, M, Bharati, B, Proshkin, S, Epshtein, V, Svetlov, V, Nudler, E, Shamovsky, I. | 登録日 | 2022-05-03 | 公開日 | 2023-05-31 | 最終更新日 | 2024-06-12 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | RNA polymerase drives ribonucleotide excision DNA repair in E. coli. Cell, 186, 2023
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3MVB
| Crystal structure of a triple RFY mutant of human MTERF1 bound to the termination sequence | 分子名称: | 5'-D(*AP*TP*TP*AP*CP*CP*GP*GP*GP*CP*TP*CP*TP*GP*CP*CP*AP*TP*CP*TP*TP*A)-3', 5'-D(*TP*AP*AP*GP*AP*TP*GP*GP*CP*AP*GP*AP*GP*CP*CP*CP*GP*GP*TP*AP*AP*T)-3', Transcription termination factor, ... | 著者 | Yakubovskaya, E, Mejia, E, Byrnes, J, Hambardjieva, E, Garcia-Diaz, M. | 登録日 | 2010-05-03 | 公開日 | 2010-06-30 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.786 Å) | 主引用文献 | Helix unwinding and base flipping enable human MTERF1 to terminate mitochondrial transcription. Cell(Cambridge,Mass.), 141, 2010
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5UWF
| Crystal structure of human PDE10A in complex with inhibitor 16d | 分子名称: | 9-[(1S)-2,2-difluorocyclopropane-1-carbonyl]-6-[(4-methoxyphenyl)methyl]-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one, MAGNESIUM ION, ZINC ION, ... | 著者 | Xu, R, Cedervall, E.P, Sridhar, V, Barker, R, Aertgeerts, K. | 登録日 | 2017-02-21 | 公開日 | 2017-04-26 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | Discovery of Selective Phosphodiesterase 1 Inhibitors with Memory Enhancing Properties. J. Med. Chem., 60, 2017
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8RH1
| Trimeric HSV-2F gB ectodomain in postfusion conformation with three bound HDIT101 Fab molecules. | 分子名称: | Envelope glycoprotein B, HDIT101 Fab heavy chain, HDIT101 Fab light chain | 著者 | Kalbermatter, D, Seyfizadeh, N, Imhof, T, Ries, M, Mueller, C, Jenner, L, Blumenschein, E, Yendrzheyevskiy, A, Moog, K, Eckert, D, Engel, R, Diebolder, P, Chami, M, Krauss, J, Schaller, T, Arndt, M. | 登録日 | 2023-12-14 | 公開日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (3.45 Å) | 主引用文献 | Development of a highly effective combination monoclonal antibody therapy against Herpes simplex virus. J.Biomed.Sci., 31, 2024
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8RGZ
| Trimeric HSV-1F gB ectodomain in postfusion conformation with three bound HDIT101 Fab molecules. | 分子名称: | Envelope glycoprotein B, HDIT101 Fab heavy chain, HDIT101 Fab light chain | 著者 | Kalbermatter, D, Seyfizadeh, N, Imhof, T, Ries, M, Mueller, C, Jenner, L, Blumenschein, E, Yendrzheyevskiy, A, Moog, K, Eckert, D, Engel, R, Diebolder, P, Chami, M, Krauss, J, Schaller, T, Arndt, M. | 登録日 | 2023-12-14 | 公開日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (3.27 Å) | 主引用文献 | Development of a highly effective combination monoclonal antibody therapy against Herpes simplex virus. J.Biomed.Sci., 31, 2024
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6GO1
| Crystal Structure of a Bacillus anthracis peptidoglycan deacetylase | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Polysaccharide deacetylase-like protein, ... | 著者 | Giastas, P, Andreou, A, Eliopoulos, E.E. | 登録日 | 2018-06-01 | 公開日 | 2019-04-10 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | 主引用文献 | The putative polysaccharide deacetylase Ba0331: cloning, expression, crystallization and structure determination. Acta Crystallogr.,Sect.F, 75, 2019
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1D2V
| CRYSTAL STRUCTURE OF BROMIDE-BOUND HUMAN MYELOPEROXIDASE ISOFORM C AT PH 5.5 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, BROMIDE ION, ... | 著者 | Fiedler, T.J, Davey, C.A, Fenna, R.E. | 登録日 | 1999-09-28 | 公開日 | 2000-04-24 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | X-ray crystal structure and characterization of halide-binding sites of human myeloperoxidase at 1.8 A resolution. J.Biol.Chem., 275, 2000
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6RS8
| X-ray crystal structure of LsAA9B (transition metals soak) | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Frandsen, K.E.H, Tovborg, M, Poulsen, J.C.N, Johansen, K.S, Lo Leggio, L. | 登録日 | 2019-05-21 | 公開日 | 2019-09-11 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Insights into an unusual Auxiliary Activity 9 family member lacking the histidine brace motif of lytic polysaccharide monooxygenases. J.Biol.Chem., 294, 2019
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8RH2
| Trimeric HSV-2G gB ectodomain in postfusion conformation with three bound HDIT102 Fab molecules. | 分子名称: | Envelope glycoprotein B, HDIT102 Fab heavy chain, HDIT102 Fab light chain | 著者 | Kalbermatter, D, Seyfizadeh, N, Imhof, T, Ries, M, Mueller, C, Jenner, L, Blumenschein, E, Yendrzheyevskiy, A, Moog, K, Eckert, D, Engel, R, Diebolder, P, Chami, M, Krauss, J, Schaller, T, Arndt, M. | 登録日 | 2023-12-14 | 公開日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (3.12 Å) | 主引用文献 | Development of a highly effective combination monoclonal antibody therapy against Herpes simplex virus. J.Biomed.Sci., 31, 2024
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1D5T
| GUANINE NUCLEOTIDE DISSOCIATION INHIBITOR, ALPHA-ISOFORM | 分子名称: | GUANINE NUCLEOTIDE DISSOCIATION INHIBITOR, SULFATE ION | 著者 | Peng, L, Zeng, K, Heine, A, Moyer, B, Greasley, S.E, Kuhn, P, Balch, W.E, Wilson, I.A. | 登録日 | 1999-10-11 | 公開日 | 2000-10-25 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (1.04 Å) | 主引用文献 | A new functional domain of guanine nucleotide dissociation inhibitor (alpha-GDI) involved in Rab recycling. Traffic, 1, 2000
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8RH0
| Trimeric HSV-1F gB ectodomain in postfusion conformation with three bound HDIT102 Fab molecules. | 分子名称: | Envelope glycoprotein B, HDIT102 Fab heavy chain | 著者 | Kalbermatter, D, Seyfizadeh, N, Imhof, T, Ries, M, Mueller, C, Jenner, L, Blumenschein, E, Yendrzheyevskiy, A, Moog, K, Eckert, D, Engel, R, Diebolder, P, Chami, M, Krauss, J, Schaller, T, Arndt, M. | 登録日 | 2023-12-14 | 公開日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (3.44 Å) | 主引用文献 | Development of a highly effective combination monoclonal antibody therapy against Herpes simplex virus. J.Biomed.Sci., 31, 2024
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8QDC
| Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the covalent inhibitor GUE-3642 (compound 1 in publication) | 分子名称: | (phenylmethyl) ~{N}-[(2~{S})-1-[[(2~{S})-1-[[(2~{S})-1-[[iminomethyl-(phenylmethyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-butan-2-yl]carbamate, 3C-like proteinase nsp5, CHLORIDE ION, ... | 著者 | Strater, N, Claff, T, Sylvester, K, Mueller, C.E, Guetschow, M. | 登録日 | 2023-08-28 | 公開日 | 2024-07-03 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Development of an active-site titrant for SARS-CoV-2 main protease as an indispensable tool for evaluating enzyme kinetics. Acta Pharm Sin B, 14, 2024
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8QRD
| OleP in complex with testosterone in high salt crystallization conditions | 分子名称: | Cytochrome P-450, FORMIC ACID, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Fata, F, Costanzo, A, Freda, I, Gugole, E, Bulfaro, G, Barbizzi, L, Di Renzo, M, Savino, C, Vallone, B, Montemiglio, L.C. | 登録日 | 2023-10-06 | 公開日 | 2024-07-03 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | OleP in complex with testosterone in high salt crystallization conditions To Be Published
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7B9S
| Structure of the mycobacterial ESX-5 Type VII Secretion System hexameric pore complex | 分子名称: | EccB5, EccC5, EccD5, ... | 著者 | Chojnowski, G, Ritter, C, Beckham, K.S.H, Mullapudi, E, Rettel, M, Savitski, M.M, Mortensen, S.A, Ziemianowicz, D, Kosinski, J, Wilmanns, M. | 登録日 | 2020-12-14 | 公開日 | 2021-07-07 | 最終更新日 | 2024-05-01 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Structure of the mycobacterial ESX-5 type VII secretion system pore complex. Sci Adv, 7, 2021
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8AUP
| Structure of hARG1 with a novel inhibitor. | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-[(1~{R},3~{R},4~{S})-3-azanyl-3-carboxy-4-[(dimethylamino)methyl]cyclohexyl]ethyl-$l^{3}-oxidanyl-bis(oxidanyl)boron, Arginase-1, ... | 著者 | Napiorkowska-Gromadzka, A, Nowak, E, Nowotny, M. | 登録日 | 2022-08-25 | 公開日 | 2023-03-29 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | 主引用文献 | Arginase 1/2 Inhibitor OATD-02: From Discovery to First-in-man Setup in Cancer Immunotherapy. Mol.Cancer Ther., 22, 2023
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