1AWO
 
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1GJ4
 | | SELECTIVITY AT S1, H2O DISPLACEMENT, UPA, TPA, SER190/ALA190 PROTEASE, STRUCTURE-BASED DRUG DESIGN | | 分子名称: | 6-CHLORO-2-(2-HYDROXY-BIPHENYL-3-YL)-1H-INDOLE-5-CARBOXAMIDINE, ACETYL HIRUDIN, SODIUM ION, ... | | 著者 | Katz, B.A, Sprengeler, P.A, Luong, C, Verner, E, Spencer, J.R, Breitenbucher, J.G, Hui, H, McGee, D, Allen, D, Martelli, A, Mackman, R.L. | | 登録日 | 2001-04-27 | | 公開日 | 2002-04-27 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Engineering inhibitors highly selective for the S1 sites of Ser190 trypsin-like serine protease drug targets.
Chem.Biol., 8, 2001
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3DKT
 | | Crystal structure of Thermotoga maritima encapsulin | | 分子名称: | Maritimacin, Putative uncharacterized protein | | 著者 | Sutter, M, Boehringer, D, Gutmann, S, Weber-Ban, E, Ban, N. | | 登録日 | 2008-06-26 | | 公開日 | 2008-09-02 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (3.104 Å) | | 主引用文献 | Structural basis of enzyme encapsulation into a bacterial nanocompartment
Nat.Struct.Mol.Biol., 15, 2008
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5JV5
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5KBA
 | | Computational Design of Self-Assembling Cyclic Protein Homooligomers | | 分子名称: | Designed protein ANK1C2 | | 著者 | Sankaran, B, Zwart, P.H, Fallas, J.A, Pereira, J.H, Ueda, G, Baker, D. | | 登録日 | 2016-06-02 | | 公開日 | 2017-04-12 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.601 Å) | | 主引用文献 | Computational design of self-assembling cyclic protein homo-oligomers.
Nat Chem, 9, 2017
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8TXO
 | | E. coli DNA-directed RNA polymerase transcription elongation complex bound to the unnatural dZ-PTP base pair in the active site | | 分子名称: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | | 著者 | Aiyer, S, Shan, Z, Oh, J, Wang, D, Tan, Y.Z, Lyumkis, D. | | 登録日 | 2023-08-23 | | 公開日 | 2024-01-24 | | 最終更新日 | 2024-10-30 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Overcoming resolution attenuation during tilted cryo-EM data collection.
Nat Commun, 15, 2024
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1GJD
 | | ENGINEERING INHIBITORS HIGHLY SELECTIVE FOR THE S1 SITES OF SER190 TRYPSIN-LIKE SERINE PROTEASE DRUG TARGETS | | 分子名称: | CITRIC ACID, N-(4-CARBAMIMIDOYL-3-CHORO-PHENYL)-2-HYDROXY-3-IODO-5-METHYL-BENZAMIDE, UROKINASE-TYPE PLASMINOGEN ACTIVATOR | | 著者 | Katz, B.A, Sprengeler, P.A, Luong, C, Verner, E, Spencer, J.R, Breitenbucher, J.G, Hui, H, McGee, D, Allen, D, Martelli, A, Mackman, R.L. | | 登録日 | 2001-05-03 | | 公開日 | 2002-05-03 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Engineering inhibitors highly selective for the S1 sites of Ser190 trypsin-like serine protease drug targets.
Chem.Biol., 8, 2001
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6SHN
 | | Escherichia coli AGPase in complex with FBP. Symmetry C1 | | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, Glucose-1-phosphate adenylyltransferase | | 著者 | Cifuente, J.O, Comino, N, D'Angelo, C, Marina, A, Gil-Carton, D, Albesa-Jove, D, Guerin, M.E. | | 登録日 | 2019-08-07 | | 公開日 | 2020-02-05 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | The allosteric control mechanism of bacterial glycogen biosynthesis disclosed by cryoEM.
Curr Res Struct Biol, 2, 2020
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8U3B
 | | Cryo-EM structure of E. coli NarL-transcription activation complex at 3.2A | | 分子名称: | DNA (69-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | | 著者 | Liu, B, Kompaniiets, D, Wang, D. | | 登録日 | 2023-09-07 | | 公開日 | 2024-01-17 | | 最終更新日 | 2024-02-21 | | 実験手法 | ELECTRON MICROSCOPY (3.23 Å) | | 主引用文献 | Structural basis for transcription activation by the nitrate-responsive regulator NarL.
Nucleic Acids Res., 52, 2024
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5K7V
 | | Computational Design of Self-Assembling Cyclic Protein Homooligomers | | 分子名称: | Designed protein HR00C3 | | 著者 | Sankaran, B, Zwart, P.H, Fallas, J.A, Pereira, J.H, Ueda, G, Baker, D. | | 登録日 | 2016-05-26 | | 公開日 | 2017-04-12 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (3.165 Å) | | 主引用文献 | Computational design of self-assembling cyclic protein homo-oligomers.
Nat Chem, 9, 2017
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2UWM
 | | C-TERMINAL DOMAIN(WH2-WH4) OF ELONGATION FACTOR SELB IN COMPLEX WITH SECIS RNA | | 分子名称: | 5'-R(*GP*GP*CP*GP*UP*UP*GP*CP*CP*GP *GP*UP*CP*UP*GP*GP*CP*AP*AP*CP*GP*CP*C)-3', SELENOCYSTEINE-SPECIFIC ELONGATION FACTOR | | 著者 | Ose, T, Soler, N, Rasubala, L, Kuroki, K, Kohda, D, Fourmy, D, Yoshizawa, S, Maenaka, K. | | 登録日 | 2007-03-22 | | 公開日 | 2007-05-08 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | | 主引用文献 | Structural Basis for Dynamic Interdomain Movement and RNA Recognition of the Selenocysteine-Specific Elongation Factor Selb.
Structure, 15, 2007
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6FCN
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2VA6
 | | X-ray crystal structure of beta secretase complexed with compound 24 | | 分子名称: | (6S)-2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one, BETA SECRETASE 1, IODIDE ION | | 著者 | Edwards, P.D, Albert, J.S, Sylvester, M, Aharony, D, Andisik, D, Callaghan, O, Campbell, J.B, Carr, R.A, Chessari, G, Congreve, M, Frederickson, M, Folmer, R.H.A, Geschwindner, S, Koether, G, Kolmodin, K, Krumrine, J, Mauger, R.C, Murray, C.W, Olsson, L.L, Patel, S, Spear, N, Tian, G. | | 登録日 | 2007-08-30 | | 公開日 | 2007-11-13 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Application of Fragment-Based Lead Generation to the Discovery of Novel, Cyclic Amidine Beta-Secretase Inhibitors with Nanomolar Potency, Cellular Activity, and High Ligand Efficiency.
J.Med.Chem., 50, 2007
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8UPV
 | | Structure of SARS-Cov2 3CLPro in complex with Compound 33 | | 分子名称: | 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6R)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | | 著者 | Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J. | | 登録日 | 2023-10-23 | | 公開日 | 2024-03-06 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | | 主引用文献 | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic.
J.Med.Chem., 67, 2024
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5K2H
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5CLM
 | | 1,4-Oxazine BACE1 inhibitors | | 分子名称: | Beta-secretase 1, CHLORIDE ION, IODIDE ION, ... | | 著者 | Rombouts, F, Tresadern, G, Delgado, O, Martinez Lamenca, C, Van Gool, M, Garcia-Molina, A, Alonso De Diego, S, Oehlrich, D, Prokopcova, H, Alonso, J.M, Austin, N, Borghys, H, Van Brandt, S, Surkyn, M, De Cleyn, M, Vos, A, Alexander, R, MacDonald, G, Moechars, D, Trabanco, A, Gijsen, H. | | 登録日 | 2015-07-16 | | 公開日 | 2015-09-30 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | | 主引用文献 | 1,4-Oxazine beta-Secretase 1 (BACE1) Inhibitors: From Hit Generation to Orally Bioavailable Brain Penetrant Leads.
J.Med.Chem., 58, 2015
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5KAP
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3FCX
 | | Crystal structure of human esterase D | | 分子名称: | CALCIUM ION, MAGNESIUM ION, S-formylglutathione hydrolase | | 著者 | Wu, D, Li, Y, Song, G, Zhang, D, Shaw, N, Liu, Z.J. | | 登録日 | 2008-11-24 | | 公開日 | 2008-12-09 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Crystal structure of human esterase D: a potential genetic marker of retinoblastoma
Faseb J., 23, 2009
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4QL1
 | | Crystal structure of human WDR5 in complex with compound OICR-9429 | | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, N-(4-(4-methylpiperazin-1-yl)-3'-(morpholinomethyl)-[1,1'-biphenyl]-3-yl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide, ... | | 著者 | Dong, A, Dombrovski, L, Walker, J.R, Getlik, M, Kuznetsova, E, Smil, D, Barsyte, D, Li, F, Poda, G, Senisterra, G, Marcellus, R, Al-Awar, R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Schapira, M, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC) | | 登録日 | 2014-06-10 | | 公開日 | 2014-12-17 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Pharmacological targeting of the Wdr5-MLL interaction in C/EBP alpha N-terminal leukemia.
Nat.Chem.Biol., 11, 2015
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2W0S
 | | Crystal structure of vaccinia virus thymidylate kinase bound to brivudin-5'-monophosphate | | 分子名称: | (E)-5-(2-BROMOVINYL)-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, MAGNESIUM ION, SULFATE ION, ... | | 著者 | Caillat, C, Topalis, D, Agrofoglio, L.A, Pochet, S, Balzarini, J, Deville-Bonne, D, Meyer, P. | | 登録日 | 2008-10-08 | | 公開日 | 2008-10-21 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.918 Å) | | 主引用文献 | Crystal Structure of Poxvirus Thymidylate Kinase: An Unexpected Dimerization Has Implications for Antiviral Therapy
Proc.Natl.Acad.Sci.USA, 105, 2008
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2VY8
 | | The 627-domain from influenza A virus polymerase PB2 subunit with Glu- 627 | | 分子名称: | POLYMERASE BASIC PROTEIN 2 | | 著者 | Tarendeau, F, Crepin, T, Guilligay, D, Ruigrok, R, Cusack, S, Hart, D. | | 登録日 | 2008-07-19 | | 公開日 | 2008-09-09 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Host Determinant Residue Lysine 627 Lies on the Surface of a Discrete, Folded Domain of Influenza Virus Polymerase Pb2 Subunit
Plos Pathog., 4, 2008
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1IG6
 | | HUMAN MRF-2 DOMAIN, NMR, 11 STRUCTURES | | 分子名称: | MODULATOR RECOGNITION FACTOR 2 | | 著者 | Lin, D, Tsui, V, Case, D, Yuan, Y.C, Chen, Y. | | 登録日 | 2001-04-17 | | 公開日 | 2001-04-25 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | HUMAN MRF-2 DOMAIN, NMR, 11 STRUCTURES
To be Published
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1J8Q
 | | Low Temperature (100K) Crystal Structure of Flavodoxin D. vulgaris Wild-type at 1.35 Angstrom Resolution | | 分子名称: | FLAVIN MONONUCLEOTIDE, FLAVODOXIN | | 著者 | Artali, R, Bombieri, G, Meneghetti, F, Gilardi, G, Sadeghi, S.J, Cavazzini, D, Rossi, G.L. | | 登録日 | 2001-05-22 | | 公開日 | 2001-09-05 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Comparison of the refined crystal structures of wild-type (1.34 A) flavodoxin from Desulfovibrio vulgaris and the S35C mutant (1.44 A) at 100 K.
Acta Crystallogr.,Sect.D, 58, 2002
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5O7N
 | | Beta-lactamase VIM-2 in complex with (2R)-1-(2-Benzyl-3-mercaptopropanoyl)piperidine-2-carboxylic acid | | 分子名称: | (2~{R})-1-[(2~{S})-2-(phenylmethyl)-3-sulfanyl-propanoyl]piperidine-2-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase VIM-2, ... | | 著者 | Buettner, D, Kramer, J.S, Pogoryelov, D, Proschak, E. | | 登録日 | 2017-06-09 | | 公開日 | 2018-06-20 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Challenges in the Development of a Thiol-Based Broad-Spectrum Inhibitor for Metallo-beta-Lactamases.
Acs Infect Dis., 4, 2018
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1M3A
 | | Solution structure of a circular form of the truncated N-terminal SH3 domain from oncogene protein c-Crk. | | 分子名称: | Proto-oncogene C-crk | | 著者 | Schumann, F.H, Varadan, R, Tayakuniyil, P.P, Hall, J.B, Camarero, J.A, Fushman, D. | | 登録日 | 2002-06-27 | | 公開日 | 2003-08-05 | | 最終更新日 | 2024-10-09 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Changing protein backbone topology: Structural and dynamic consequences of the backbone cyclization in SH3 domain
To be Published
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