8IVG
 
 | | Methyl and Fluorine Effects in Novel Orally Bioavailable Keap1/Nrf2 PPI Inhibitor for Treatment of Chronic Kidney Disease | | 分子名称: | (3S)-3-(4-methylphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanoylamino]propanoic acid, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Kelch-like ECH-associated protein 1, ... | | 著者 | Otake, K, Ubukata, M, Nagahashi, N, Ogawa, N, Hantani, Y, Hantani, R, Adachi, T, Nomura, A, Yamaguchi, K, Maekawa, M, Mamada, H, Motomura, T, Sato, M, Harada, K. | | 登録日 | 2023-03-27 | | 公開日 | 2023-06-14 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Methyl and Fluorine Effects in Novel Orally Bioavailable Keap1-Nrf2 PPI Inhibitor.
Acs Med.Chem.Lett., 14, 2023
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2WXV
 | | Structure of CDK2-CYCLIN A with a Pyrazolo(4,3-h) quinazoline-3- carboxamide inhibitor | | 分子名称: | CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, N,1-DIMETHYL-8-{[1-(METHYLSULFONYL)PIPERIDIN-4-YL]AMINO}-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE, ... | | 著者 | Traquandi, G, Ciomei, M, Ballinari, D, Casale, E, Colombo, N, Croci, V, Fiorentini, F, Isacchi, A, Longo, A, Mercurio, C, Panzeri, A, Pastori, W, Pevarello, P, Volpi, D, Roussel, P, Vulpetti, A, Brasca, M.G. | | 登録日 | 2009-11-10 | | 公開日 | 2010-02-23 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Identification of Potent Pyrazolo[4,3-H]Quinazoline-3-Carboxamides as Multi-Cyclin-Dependent Kinase Inhibitors.
J.Med.Chem., 53, 2010
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3JWP
 | | Crystal structure of Plasmodium falciparum SIR2A (PF13_0152) in complex with AMP | | 分子名称: | ADENOSINE MONOPHOSPHATE, TRIETHYLENE GLYCOL, Transcriptional regulatory protein sir2 homologue, ... | | 著者 | Wernimont, A.K, Hutchinson, A, Lin, Y.H, MacKenzie, F, Senisterra, G, Allali-Hassanali, A, Vedadi, M, Ravichandran, M, Cossar, D, Kozieradzki, I, Zhao, Y, Schapira, M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Qiu, W, Brand, V, Structural Genomics Consortium (SGC) | | 登録日 | 2009-09-18 | | 公開日 | 2009-10-20 | | 最終更新日 | 2017-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Crystal structure of Plasmodium falciparum SIR2A (PF13_0152) in complex with AMP
TO BE PUBLISHED
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6VYO
 | | Crystal structure of RNA binding domain of nucleocapsid phosphoprotein from SARS coronavirus 2 | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLYCEROL, ... | | 著者 | Chang, C, Michalska, K, Jedrzejczak, R, Maltseva, N, Endres, M, Godzik, A, Kim, Y, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2020-02-27 | | 公開日 | 2020-03-11 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Epitopes recognition of SARS-CoV-2 nucleocapsid RNA binding domain by human monoclonal antibodies.
Iscience, 27, 2024
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5JJN
 | | Structure of the SRII/HtrII(G83F) Complex in P212121 space group ("V" shape) | | 分子名称: | EICOSANE, RETINAL, Sensory rhodopsin II transducer, ... | | 著者 | Ishchenko, A, Round, E, Borshchevskiy, V, Grudinin, S, Gushchin, I, Klare, J, Remeeva, A, Polovinkin, V, Utrobin, P, Balandin, T, Engelhard, M, Bueldt, G, Gordeliy, V. | | 登録日 | 2016-04-24 | | 公開日 | 2017-02-15 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | New Insights on Signal Propagation by Sensory Rhodopsin II/Transducer Complex.
Sci Rep, 7, 2017
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3ZJV
 | | Ternary complex of E .coli leucyl-tRNA synthetase, tRNA(Leu) and the benzoxaborole AN3213 in the editing conformation | | 分子名称: | LEUCINE--TRNA LIGASE, TRNALEU5 UAA ISOACCEPTOR | | 著者 | Cusack, S, Palencia, A, Crepin, T, Hernandez, V, Akama, T, Baker, S.J, Bu, W, Feng, L, Freund, Y.R, Liu, L, Meewan, M, Mohan, M, Mao, W, Rock, F.L, Sexton, H, Sheoran, A, Zhang, Y, Zhang, Y, Zhou, Y, Nieman, J.A, Anugula, M.R, Keramane, E.M, Savariraj, K, Reddy, D.S, Sharma, R, Subedi, R, Singh, R, OLeary, A, Simon, N.L, DeMarsh, P.L, Mushtaq, S, Warner, M, Livermore, D.M, Alley, M.R.K, Plattner, J.J. | | 登録日 | 2013-01-18 | | 公開日 | 2013-04-17 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | | 主引用文献 | Discovery of a Novel Class of Boron-Based Antibacterials with Activity Against Gram-Negative Bacteria.
Antimicrob.Agents Chemother., 57, 2013
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6BVY
 | | SFTI-HFRW-4 | | 分子名称: | Trypsin inhibitor 1 HFRW-4 | | 著者 | Schroeder, C.I, White, A. | | 登録日 | 2017-12-14 | | 公開日 | 2018-04-18 | | 最終更新日 | 2023-11-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Development of Novel Melanocortin Receptor Agonists Based on the Cyclic Peptide Framework of Sunflower Trypsin Inhibitor-1.
J. Med. Chem., 61, 2018
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5IT6
 | | Galectin-related protein: an integral member of the network of chicken galectins | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Galectin-related protein, ... | | 著者 | Flores-Ibarra, A, Garcia-Caballero, G, Michalak, M, Bovin, N.V, Andre, S, Manning, J.C, Vertesy, S, Ruiz, F.M, Kaltner, H, Kopitz, J, Romero, A, Gabius, H.-J. | | 登録日 | 2016-03-16 | | 公開日 | 2016-07-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.547 Å) | | 主引用文献 | Galectin-related protein: An integral member of the network of chicken galectins 1. From strong sequence conservation of the gene confined to vertebrates to biochemical characteristics of the chicken protein and its crystal structure.
Biochim.Biophys.Acta, 1860, 2016
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8J07
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6MRX
 | | Sialidase26 apo | | 分子名称: | Sialidase26 | | 著者 | Zaramela, L.S, Martino, C, Alisson-Silva, F, Rees, S.D, Diaz, S.L, Chuzel, L, Ganatra, M.B, Taron, C.H, Zuniga, C, Chang, G, Varki, A, Zengler, K. | | 登録日 | 2018-10-15 | | 公開日 | 2019-10-02 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Gut bacteria responding to dietary change encode sialidases that exhibit preference for red meat-associated carbohydrates.
Nat Microbiol, 4, 2019
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4YFG
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8CAR
 | | Discovery of the lanthipeptide Curvocidin and structural insights into its trifunctional synthetase CuvL | | 分子名称: | NITRATE ION, PHOSPHATE ION, Serine/threonine protein kinase | | 著者 | Martins, B.M, Sigurdsson, A, Duettmann, A.A, Jasyk, M, Dimos-Roehl, B, Schoepf, F, Gemander, M, Knittel, C.H, Schegotzki, R, Schmid, B, Kosol, S, Pommerening, L, Gonzalez-Viegas, M, Seidel, M, Huegelland, M, Leimkuehler, S, Dobbek, H, Mainz, A, Suessmuth, R. | | 登録日 | 2023-01-24 | | 公開日 | 2023-06-14 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | | 主引用文献 | Discovery of the Lanthipeptide Curvocidin and Structural Insights into its Trifunctional Synthetase CuvL.
Angew.Chem.Int.Ed.Engl., 62, 2023
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3KJZ
 | | Crystal structure of native peptidyl-tRNA hydrolase from Mycobacterium smegmatis | | 分子名称: | Peptidyl-tRNA hydrolase | | 著者 | Kumar, A, Singh, N, Yadav, R, Prem Kumar, R, Sharma, S, Arora, A, Singh, T.P. | | 登録日 | 2009-11-04 | | 公開日 | 2010-08-18 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Crystal structure of peptidyl-tRNA hydrolase from mycobacterium smegmatis reveals novel features related to enzyme dynamics.
Int J Biochem Mol Biol, 3, 2012
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8JMN
 | | Cryo-EM structure of the gastric proton pump with bound DQ-21 | | 分子名称: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-[4-[[2-[(4-chlorophenyl)methoxy]phenyl]methoxy]phenyl]-N-methyl-methanamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Abe, K, Yokoshima, S, Yoshimori, A. | | 登録日 | 2023-06-05 | | 公開日 | 2023-08-30 | | 最終更新日 | 2023-10-04 | | 実験手法 | ELECTRON MICROSCOPY (2.26 Å) | | 主引用文献 | Deep learning driven de novo drug design based on gastric proton pump structures.
Commun Biol, 6, 2023
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5IVP
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5MC6
 | | Cryo-EM structure of a native ribosome-Ski2-Ski3-Ski8 complex from S. cerevisiae | | 分子名称: | 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ... | | 著者 | Schmidt, C, Kowalinski, E, Shanmuganathan, V, Defenouillere, Q, Braunger, K, Heuer, A, Pech, M, Namane, A, Berninghausen, O, Fromont-Racine, M, Jacquier, A, Conti, E, Becker, T, Beckmann, R. | | 登録日 | 2016-11-09 | | 公開日 | 2017-01-18 | | 最終更新日 | 2019-12-11 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | The cryo-EM structure of a ribosome-Ski2-Ski3-Ski8 helicase complex.
Science, 354, 2016
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4C4E
 | | Structure-based design of orally bioavailable pyrrolopyridine inhibitors of the mitotic kinase MPS1 | | 分子名称: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, DUAL SPECIFICITY PROTEIN KINASE TTK, N-(3,4-dimethoxyphenyl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine, ... | | 著者 | Naud, S, Westwood, I.M, Faisal, A, Sheldrake, P, Bavetsias, V, Atrash, B, Liu, M, Hayes, A, Schmitt, J, Wood, A, Choi, V, Boxall, K, Mak, G, Gurden, M, Valenti, M, de Haven Brandon, A, Henley, A, Baker, R, McAndrew, C, Matijssen, B, Burke, R, Eccles, S.A, Raynaud, F.I, Linardopoulos, S, van Montfort, R, Blagg, J. | | 登録日 | 2013-09-05 | | 公開日 | 2013-12-04 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structure-Based Design of Orally Bioavailable 1H-Pyrrolo[3, 2-C]Pyridine Inhibitors of the Mitotic Kinase Monopolar Spindle 1 (Mps1).
J.Med.Chem., 56, 2013
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4BV5
 | | Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV. | | 分子名称: | 4-(aminomethyl)-N-(benzenesulfonyl)cyclohexanecarboxamide, APOLIPOPROTEIN(A) | | 著者 | Sandmark, J, Althage, M, Andersson, G.M.K, Antonsson, T, Blaho, S, Bodin, C, Bostrom, J, Chen, Y, Dahlen, A, Eriksson, P.O, Evertsson, E, Fex, T, Fjellstrom, O, Gustafsson, D, Hallberg, C, Hicks, R, Jarkvist, E, Johansson, C, Kalies, I, Kang, D, Svalstedt Karlsson, B, Kartberg, F, Legnehed, A, Lindqvist, A.M, Martinsson, S.A, Moberg, A, Petersson, A.U, Ridderstrom, M, Thelin, A, Tigerstrom, A, Vinblad, J, Xu, B, Knecht, W. | | 登録日 | 2013-06-25 | | 公開日 | 2014-07-09 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A)
To be Published
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4Y6X
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8J12
 | | Cryo-EM structure of the AsCas12f-sgRNA-target DNA ternary complex | | 分子名称: | DNA (38-MER), MAGNESIUM ION, RNA (247-MER), ... | | 著者 | Hino, T, Omura, N.S, Nakagawa, R, Togashi, T, Takeda, N.S, Hiramoto, T, Tasaka, S, Hirano, H, Tokuyama, T, Uosaki, H, Ishiguro, H, Yamano, H, Ozaki, Y, Motooka, D, Mori, H, Kirita, Y, Kise, Y, Itoh, Y, Matoba, S, Aburatani, H, Yachie, N, Siksnys, V, Ohmori, T, Hoshino, A, Nureki, O. | | 登録日 | 2023-04-12 | | 公開日 | 2023-09-27 | | 実験手法 | ELECTRON MICROSCOPY (3.08 Å) | | 主引用文献 | Minimal and most efficient genome editing Cas enzyme
To Be Published
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3KEB
 | | Thiol peroxidase from Chromobacterium violaceum | | 分子名称: | CHLORIDE ION, Probable thiol peroxidase, SULFATE ION | | 著者 | Osipiuk, J, Kagan, O, Savchenko, A, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2009-10-25 | | 公開日 | 2009-11-03 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | X-ray crystal structure of thiol peroxidase from Chromobacterium violaceum
To be Published
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6BP0
 | | Crystal Structure of the Human vaccinia-related kinase 1 bound to (R)-2-phenylaminopteridinone inhibitor | | 分子名称: | (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7,8-trimethyl-7,8-dihydropteridin-6(5H)-one, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | 著者 | Counago, R.M, dos Reis, C.V, de Souza, G.P, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J, Structural Genomics Consortium (SGC) | | 登録日 | 2017-11-21 | | 公開日 | 2017-12-06 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal Structure of the Human vaccinia-related kinase 1 bound to (R)-2-phenylaminopteridinone inhibitor
To Be Published
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5JXV
 | | Solid-state MAS NMR structure of immunoglobulin beta 1 binding domain of protein G (GB1) | | 分子名称: | Immunoglobulin G-binding protein G | | 著者 | Andreas, L.B, Jaudzems, K, Stanek, J, Lalli, D, Bertarello, A, Le Marchand, T, Cala-De Paepe, D, Kotelovica, S, Akopjana, I, Knott, B, Wegner, S, Engelke, F, Lesage, A, Emsley, L, Tars, K, Herrmann, T, Pintacuda, G. | | 登録日 | 2016-05-13 | | 公開日 | 2016-08-10 | | 最終更新日 | 2024-06-19 | | 実験手法 | SOLID-STATE NMR | | 主引用文献 | Structure of fully protonated proteins by proton-detected magic-angle spinning NMR.
Proc.Natl.Acad.Sci.USA, 113, 2016
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6C02
 | | Human ectonucleotide pyrophosphatase / phosphodiesterase 3 (ENPP3, NPP3, CD203c), inactive (T205A), N594S, with alpha,beta-methylene-ATP (AMPCPP) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | 著者 | Gorelik, A, Randriamihaja, A, Illes, K, Nagar, B. | | 登録日 | 2017-12-27 | | 公開日 | 2018-05-02 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.942 Å) | | 主引用文献 | Structural basis for nucleotide recognition by the ectoenzyme CD203c.
FEBS J., 285, 2018
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5JZR
 | | Solid-state MAS NMR structure of Acinetobacter phage 205 (AP205) coat protein in assembled capsid particles | | 分子名称: | Coat protein | | 著者 | Jaudzems, K, Andreas, L.B, Stanek, J, Lalli, D, Bertarello, A, Le Marchand, T, Cala-De Paepe, D, Kotelovica, S, Akopjana, I, Knott, B, Wegner, S, Engelke, F, Lesage, A, Emsley, L, Tars, K, Herrmann, T, Pintacuda, G. | | 登録日 | 2016-05-17 | | 公開日 | 2016-08-10 | | 最終更新日 | 2024-06-19 | | 実験手法 | SOLID-STATE NMR | | 主引用文献 | Structure of fully protonated proteins by proton-detected magic-angle spinning NMR.
Proc.Natl.Acad.Sci.USA, 113, 2016
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