3L3K
 
 | | Crystal structure of HLA-B*4402 in complex with the R5A/F7A double mutant of a self-peptide derived from DPA*0201 | | 分子名称: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | | 著者 | Theodossis, A, Ely, L.K, Rossjohn, J. | | 登録日 | 2009-12-17 | | 公開日 | 2010-03-16 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Constraints within major histocompatibility complex class I restricted peptides: presentation and consequences for T-cell recognition
Proc.Natl.Acad.Sci.USA, 107, 2010
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4LR6
 | | Structure of BRD4 bromodomain 1 with a 3-methyl-4-phenylisoxazol-5-amine fragment | | 分子名称: | 3-methyl-4-phenyl-1,2-oxazol-5-amine, Bromodomain-containing protein 4, FORMIC ACID | | 著者 | Jayaram, H, Poy, F, Gehling, V, Hewitt, M, Vaswani, R, Leblanc, Y, Cote, A, Nasveschuk, C, Taylor, A, Harmange, J.-C, Audia, J, Pardo, E, Joshi, S, Sandy, P, Mertz, J, Sims, R, Bergeron, L, Bryant, B, Ravichandran, S, Yellapuntala, S, Nandana, B.S, Birudukota, S, Albrecht, B, Bellon, S. | | 登録日 | 2013-07-19 | | 公開日 | 2013-08-07 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.29 Å) | | 主引用文献 | Discovery, Design, and Optimization of Isoxazole Azepine BET Inhibitors.
ACS Med Chem Lett, 4, 2013
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4LRG
 | | Structure of BRD4 bromodomain 1 with a dimethyl thiophene isoxazole azepine carboxamide | | 分子名称: | 2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-[1,2]oxazolo[5,4-c]thieno[2,3-e]azepin-6-yl]acetamide, Bromodomain-containing protein 4 | | 著者 | Ravichandran, S, Jayaram, H, Poy, F, Gehling, V, Hewitt, M, Vaswani, R, Leblanc, Y, Cote, A, Nasveschuk, C, Taylor, A, Harmange, J.-C, Audia, J, Pardo, E, Joshi, S, Sandy, P, Mertz, J, Sims, R, Bergeron, L, Bryant, B, Yellapuntala, S, Nandana, B.S, Birudukota, S, Albrecht, B, Bellon, S. | | 登録日 | 2013-07-19 | | 公開日 | 2013-08-07 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | | 主引用文献 | Discovery, Design, and Optimization of Isoxazole Azepine BET Inhibitors.
ACS Med Chem Lett, 4, 2013
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8V15
 | | Human SIRT3 bound to p53-AMC peptide, Carba-NAD, and Honokiol | | 分子名称: | (1P)-3',5-di(prop-2-en-1-yl)[1,1'-biphenyl]-2,4'-diol, CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, GLN-PRO-LYS-FDL, ... | | 著者 | Chakrabarti, R, Ghosh, A, Guan, X, Upadhyay, A, Dumpati, R.K, Munshi, S, Roy, S, Chall, S, Rahnamoun, A, Reverdy, C, Errasti, G, Delacroix, T. | | 登録日 | 2023-11-19 | | 公開日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Computationally Driven Discovery and Characterization of SIRT3 Activating Compounds that Fully Recover Catalytic Activity under NAD+ Depletion
biorxiv, 2023
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8V2N
 | | Human SIRT3 co-crystallized with ligands, including p53-AMC peptide and Carba-NAD | | 分子名称: | CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, GLN-PRO-LYS-FDL, NAD-dependent protein deacetylase sirtuin-3, ... | | 著者 | Chakrabarti, R, Ghosh, A, Guan, X, Upadhyay, A, Dumpati, R.K, Munshi, S, Roy, S, Chall, S, Rahnamoun, A, Reverdy, C, Errasti, G, Delacroix, T. | | 登録日 | 2023-11-23 | | 公開日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | Computationally Driven Discovery and Characterization of SIRT3 Activating Compounds that Fully Recover Catalytic Activity under NAD+ Depletion
biorxiv, 2023
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6KCS
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5LFD
 | | Crystal structure of allantoin racemase from Pseudomonas fluorescens AllR | | 分子名称: | Allantoin racemase | | 著者 | Cendron, l, Zanotti, G, Percudani, R, Ramazzina, I, Puggioni, V, Maccacaro, E, Liuzzi, A, Secchi, A. | | 登録日 | 2016-07-01 | | 公開日 | 2017-05-10 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | The Structure and Function of a Microbial Allantoin Racemase Reveal the Origin and Conservation of a Catalytic Mechanism.
Biochemistry, 55, 2016
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4WMV
 | | STRUCTURE OF MBP-MCL1 BOUND TO ligand 4 AT 2.4A | | 分子名称: | 3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid, CHLORIDE ION, MAGNESIUM ION, ... | | 著者 | Clifton, M.C, Moulin, A. | | 登録日 | 2014-10-09 | | 公開日 | 2015-05-06 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1.
Plos One, 10, 2015
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5LI0
 | | 70S ribosome from Staphylococcus aureus | | 分子名称: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | 著者 | Khusainov, I, Vicens, Q, Bochler, A, Grosse, F, Myasnikov, A, Menetret, J.F, Chicher, J, Marzi, S, Romby, P, Yusupova, G, Yusupov, M, Hashem, Y. | | 登録日 | 2016-07-13 | | 公開日 | 2016-12-28 | | 最終更新日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | Structure of the 70S ribosome from human pathogen Staphylococcus aureus.
Nucleic Acids Res., 44, 2016
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3T6Y
 | | 5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase | | 分子名称: | 2',5'-dideoxy-5'-{[(R)-(1-methyl-1H-imidazol-2-yl)(phenyl)methyl]amino}uridine, Deoxyuridine 5'-triphosphate nucleotidohydrolase, putative, ... | | 著者 | Hampton, S.E, Baragana, B, Schipani, A, Bosch-Navarrete, C, Musso-Buendia, A, Recio, E, Kaiser, M, Whittingham, J.L, Roberts, S.M, Shevtsov, M, Brannigan, J.A, Kahnberg, P, Brun, R, Wilson, K.S, Gonzalez-Pacanowska, D, Johansson, N.G, Gilbert, I.H. | | 登録日 | 2011-07-29 | | 公開日 | 2012-08-29 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Design, synthesis, and evaluation of 5'-diphenyl nucleoside analogues as inhibitors of the Plasmodium falciparum dUTPase.
Chemmedchem, 6, 2011
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5LG5
 | | Crystal structure of allantoin racemase from Pseudomonas fluorescens AllR | | 分子名称: | Allantoin racemase | | 著者 | Cendron, l, Zanotti, G, Percudani, R, Ragazzina, I, Puggioni, V, Maccacaro, E, Liuzzi, A, Secchi, A. | | 登録日 | 2016-07-06 | | 公開日 | 2017-05-10 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | The Structure and Function of a Microbial Allantoin Racemase Reveal the Origin and Conservation of a Catalytic Mechanism.
Biochemistry, 55, 2016
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5LSG
 | | PPARgamma complex with the betulinic acid | | 分子名称: | Betulinic Acid, Peroxisome proliferator-activated receptor gamma | | 著者 | Pochetti, G, Montanari, R, Capelli, D, Loiodice, F, Laghezza, A, Calleri, E, Paiardini, A. | | 登録日 | 2016-08-26 | | 公開日 | 2017-08-09 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Betulinic acid is a PPAR gamma antagonist that improves glucose uptake, promotes osteogenesis and inhibits adipogenesis.
Sci Rep, 7, 2017
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5LC7
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2FHI
 | | SUBSTRATE ANALOG (IB2) COMPLEX WITH THE HIS 96 ASN SUBSTITUTION OF THE FRAGILE HISTIDINE TRIAD PROTEIN, FHIT | | 分子名称: | FRAGILE HISTIDINE TRIAD PROTEIN, P1-P2-METHYLENE-P3-THIO-DIADENOSINE TRIPHOSPHATE | | 著者 | Pace, H.C, Garrison, P.N, Robinson, A.K, Barnes, L.D, Draganescu, A, Rosler, A, Blackburn, G.M, Siprashvili, Z, Croce, C.M, Heubner, K, Brenner, C. | | 登録日 | 1998-04-01 | | 公開日 | 1998-06-17 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Genetic, biochemical, and crystallographic characterization of Fhit-substrate complexes as the active signaling form of Fhit.
Proc.Natl.Acad.Sci.USA, 95, 1998
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5LL6
 | | Structure of the 40S ABCE1 post-splitting complex in ribosome recycling and translation initiation | | 分子名称: | 18S ribosomal RNA, 40S ribosomal protein S0-A, 40S ribosomal protein S1-A, ... | | 著者 | Heuer, A, Gerovac, M, Schmidt, C, Trowitzsch, S, Preis, A, Koetter, P, Berninghausen, O, Becker, T, Beckmann, R, Tampe, R. | | 登録日 | 2016-07-26 | | 公開日 | 2017-04-12 | | 最終更新日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | | 主引用文献 | Structure of the 40S-ABCE1 post-splitting complex in ribosome recycling and translation initiation.
Nat. Struct. Mol. Biol., 24, 2017
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5LCE
 | | Thrombin in complex with (S)-1-((R)-2-amino-3-cyclohexylpropanoyl)-N-(5-chloro-2-(hydroxymethyl)benzy l)pyrrolidine-2-carboxamide | | 分子名称: | (2~{S})-1-[(2~{R})-2-azanyl-3-cyclohexyl-propanoyl]-~{N}-[[5-chloranyl-2-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Sandner, A, Heine, A, Klebe, G. | | 登録日 | 2016-06-21 | | 公開日 | 2017-07-26 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | | 主引用文献 | Strategies for Late-Stage Optimization: Profiling Thermodynamics by Preorganization and Salt Bridge Shielding.
J.Med.Chem., 62, 2019
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5LPD
 | | Thrombin in complex with (S)-1-((R)-2-amino-3-cyclohexylpropanoyl)-N-(2-(aminomethyl)-5-chlorobenzyl) pyrrolidine-2-carboxamide | | 分子名称: | (2~{S})-~{N}-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-1-[(2~{R})-2-azanyl-3-cyclohexyl-propanoyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | 著者 | Sandner, A, Heine, A, Klebe, G. | | 登録日 | 2016-08-12 | | 公開日 | 2017-07-26 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Strategies for Late-Stage Optimization: Profiling Thermodynamics by Preorganization and Salt Bridge Shielding.
J.Med.Chem., 62, 2019
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5LFG
 | | X-ray structure of a new fully ligated carbomonoxy form of Trematomus newnesi hemoglobin (Hb1TnCO). | | 分子名称: | CARBON MONOXIDE, Hemoglobin subunit alpha-1, Hemoglobin subunit beta-1/2, ... | | 著者 | Vitagliano, L, Mazzarella, L, Merlino, A, Vergara, A. | | 登録日 | 2016-07-01 | | 公開日 | 2017-08-09 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Fine Sampling of the RT Quaternary-Structure Transition of a Tetrameric Hemoglobin.
Chemistry, 23, 2017
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5LFN
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2FSJ
 | | Crystal structure of Ta0583, an archaeal actin homolog, native data | | 分子名称: | GLYCEROL, hypothetical protein Ta0583 | | 著者 | Roeben, A, Kofler, C, Nagy, I, Nickell, S, Ulrich Hartl, F, Bracher, A. | | 登録日 | 2006-01-23 | | 公開日 | 2006-04-18 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal structure of an archaeal actin homolog
J.Mol.Biol., 358, 2006
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5LP4
 | | Penicillin-Binding Protein (PBP2) from Helicobacter pylori | | 分子名称: | Penicillin-binding protein 2 (Pbp2), SULFATE ION | | 著者 | Contreras-Martel, C, Martins, A, Ecobichon, C, Maragno, D.M, Mattei, P.J, El Ghachi, M, Boneca, I.G, Dessen, A. | | 登録日 | 2016-08-11 | | 公開日 | 2017-08-23 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (3.03 Å) | | 主引用文献 | Molecular architecture of the PBP2-MreC core bacterial cell wall synthesis complex.
Nat Commun, 8, 2017
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2FZ2
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3T70
 | | 5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase | | 分子名称: | 2',5'-dideoxy-5'-[(diphenylmethyl)(methyl)amino]uridine, Deoxyuridine 5'-triphosphate nucleotidohydrolase, putative, ... | | 著者 | Hampton, S.E, Baragana, B, Schipani, A, Bosch-Navarrete, C, Musso-Buendia, A, Recio, E, Kaiser, M, Whittingham, J.L, Roberts, S.M, Shevtsov, M, Brannigan, J.A, Kahnberg, P, Brun, R, Wilson, K.S, Gonzalez-Pacanowska, D, Johansson, N.G, Gilbert, I.H. | | 登録日 | 2011-07-29 | | 公開日 | 2012-08-29 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Design, synthesis, and evaluation of 5'-diphenyl nucleoside analogues as inhibitors of the Plasmodium falciparum dUTPase.
Chemmedchem, 6, 2011
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2FZ1
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5LJI
 | | Streptococcus pneumonia TIGR4 flavodoxin: structural and biophysical characterization of a novel drug target | | 分子名称: | CALCIUM ION, FLAVIN MONONUCLEOTIDE, Flavodoxin | | 著者 | Rodriguez-Cardenas, A, Rojas, A.L, Velazquez-Campoy, A, Hurtado-Guerrero, R, Sancho, J. | | 登録日 | 2016-07-18 | | 公開日 | 2016-08-31 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Streptococcus pneumoniae TIGR4 Flavodoxin: Structural and Biophysical Characterization of a Novel Drug Target.
Plos One, 11, 2016
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