5WLO
 
 | | a novel 13-ring macrocyclic HIV-1 protease inhibitors involving the P1'-P2' ligands | | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[(7E)-13-methoxy-1,1-dioxo-1,4,5,6,9,11-hexahydro-10,1lambda~6~,2-benzoxathiazacyclotridecin-2(3H)-yl]-1-phenylbutan-2-yl}carbamate, ACETATE ION, CHLORIDE ION, ... | | Authors: | Wang, Y.-F, Agniswamy, J, Weber, I.T. | | Deposit date: | 2017-07-27 | | Release date: | 2017-10-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.27 Å) | | Cite: | Design, synthesis, X-ray studies, and biological evaluation of novel macrocyclic HIV-1 protease inhibitors involving the P1'-P2' ligands.
Bioorg. Med. Chem. Lett., 27, 2017
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7CZ9
 | | Crystal structure of multidrug efflux transporter OqxB from Klebsiella pneumoniae | | Descriptor: | DODECYL-BETA-D-MALTOSIDE, Efflux pump membrane transporter, GLYCEROL, ... | | Authors: | Murakami, S, Okada, U, Yamashita, E. | | Deposit date: | 2020-09-07 | | Release date: | 2021-09-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure and function relationship of OqxB efflux pump from Klebsiella pneumoniae.
Nat Commun, 12, 2021
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3OK9
 | | Crystal structure of wild-type HIV-1 protease with new oxatricyclic designed inhibitor GRL-0519A | | Descriptor: | (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, GLYCEROL, ... | | Authors: | Wang, Y.-F, Agniswamy, J, Weber, I.T. | | Deposit date: | 2010-08-24 | | Release date: | 2010-09-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.27 Å) | | Cite: | Probing Multidrug-Resistance and Protein-Ligand Interactions with Oxatricyclic Designed Ligands in HIV-1 Protease Inhibitors.
Chemmedchem, 5, 2010
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2COM
 | | The solution structure of the SWIRM domain of human LSD1 | | Descriptor: | Lysine-specific histone demethylase 1 | | Authors: | Tochio, N, Umehara, T, Koshiba, S, Inoue, M, Tanaka, A, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2005-05-18 | | Release date: | 2005-11-18 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the SWIRM domain of human histone demethylase LSD1
Structure, 14, 2006
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2CUJ
 | | Solution structure of SWIRM domain of mouse transcriptional adaptor 2-like | | Descriptor: | transcriptional adaptor 2-like | | Authors: | Yoneyama, M, Umehara, T, Sato, M, Tochio, N, Koshiba, S, Inoue, M, Tanaka, A, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2005-05-26 | | Release date: | 2005-11-26 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Structural and Functional Differences of SWIRM Domain Subtypes
J.Mol.Biol., 369, 2007
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8GZP
 | | Cryo-EM structure of the NS5-SLA complex | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Genome polyprotein, MAGNESIUM ION, ... | | Authors: | Osawa, T, Ehara, H, Sekine, S. | | Deposit date: | 2022-09-27 | | Release date: | 2023-08-02 | | Last modified: | 2023-08-23 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structures of dengue virus RNA replicase complexes.
Mol.Cell, 83, 2023
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8GZQ
 | | Cryo-EM structure of the NS5-NS3-SLA complex | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Genome polyprotein, RNA, ... | | Authors: | Osawa, T, Ehara, H, Sekine, S. | | Deposit date: | 2022-09-27 | | Release date: | 2023-08-02 | | Last modified: | 2023-08-23 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structures of dengue virus RNA replicase complexes.
Mol.Cell, 83, 2023
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8GZR
 | | Cryo-EM structure of the the NS5-NS3 RNA-elongation complex | | Descriptor: | CYTIDINE-5'-DIPHOSPHATE, Genome polyprotein, MANGANESE (II) ION, ... | | Authors: | Osawa, T, Ehara, H, Sekine, S. | | Deposit date: | 2022-09-27 | | Release date: | 2023-08-02 | | Last modified: | 2023-08-23 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structures of dengue virus RNA replicase complexes.
Mol.Cell, 83, 2023
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4HLA
 | | Crystal structure of wild type HIV-1 protease in complex with darunavir | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease | | Authors: | Yedidi, R.S, Garimella, H, Palmer, I, Das, D, Wingfield, P.T, Ghosh, A.K, Mitsuya, H. | | Deposit date: | 2012-10-16 | | Release date: | 2013-07-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | P2' benzene carboxylic acid moiety is associated with decrease in cellular uptake: evaluation of novel non-peptidic HIV-1 protease inhibitors containing P2 bis-tetrahydrofuran moiety.
Antimicrob.Agents Chemother., 57, 2013
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4I8W
 | | Crystal structure of wild type HIV-1 protease in complex with non-peptidic inhibitor, GRL007 | | Descriptor: | 4-{[(2R,3S)-3-({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yloxy]carbonyl}amino)-2-hydroxy-4-phenylbutyl](2-methylpropyl)sulfamoyl}benzoic acid, Protease | | Authors: | Yedidi, R.S, Palmer, I, Das, D, Wingfield, P.T, Ghosh, A.K, Mitsuya, H. | | Deposit date: | 2012-12-04 | | Release date: | 2013-07-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | P2' benzene carboxylic acid moiety is associated with decrease in cellular uptake: evaluation of novel non-peptidic HIV-1 protease inhibitors containing P2 bis-tetrahydrofuran moiety.
Antimicrob.Agents Chemother., 57, 2013
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4I8Z
 | | Crystal structure of wild type HIV-1 protease in complex with non-peptidic inhibitor, GRL008 | | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-carbamoylphenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, Protease | | Authors: | Yedidi, R.S, Palmer, I, Das, D, Wingfield, P.T, Ghosh, A.K, Mitsuya, H. | | Deposit date: | 2012-12-04 | | Release date: | 2013-07-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | P2' benzene carboxylic acid moiety is associated with decrease in cellular uptake: evaluation of novel non-peptidic HIV-1 protease inhibitors containing P2 bis-tetrahydrofuran moiety.
Antimicrob.Agents Chemother., 57, 2013
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2CU7
 | | Solution structure of the SANT domain of human KIAA1915 protein | | Descriptor: | KIAA1915 protein | | Authors: | Yoneyama, M, Umehara, T, Saito, K, Tochio, N, Koshiba, S, Inoue, M, Tanaka, A, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2005-05-25 | | Release date: | 2005-11-25 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Structural and Functional Differences of SWIRM Domain Subtypes
J.Mol.Biol., 369, 2007
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2DCE
 | | Solution structure of the SWIRM domain of human KIAA1915 protein | | Descriptor: | KIAA1915 protein | | Authors: | Yoneyama, M, Tochio, N, Umehara, T, Koshiba, S, Inoue, M, Tanaka, A, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2006-01-06 | | Release date: | 2006-07-06 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Structural and Functional Differences of SWIRM Domain Subtypes
J.Mol.Biol., 369, 2007
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4ZIP
 | | HIV-1 wild Type protease with GRL-0648A (a isophthalamide-derived P2-Ligand) | | Descriptor: | CHLORIDE ION, GLYCEROL, N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-N'-[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]-N,5-dimethylbenzene-1,3-dicarboxamide, ... | | Authors: | Wang, Y.-F, Agniswamy, J, Weber, I.T. | | Deposit date: | 2015-04-28 | | Release date: | 2015-07-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.11 Å) | | Cite: | Structure-based design, synthesis, X-ray studies, and biological evaluation of novel HIV-1 protease inhibitors containing isophthalamide-derived P2-ligands.
Bioorg.Med.Chem.Lett., 25, 2015
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2E5S
 | | Solution structure of the zf-CCCHx2 domain of muscleblind-like 2, isoform 1 [Homo sapiens] | | Descriptor: | OTTHUMP00000018578, ZINC ION | | Authors: | Dang, W, Muto, Y, Inoue, M, Kigawa, T, Shirouzu, M, Terada, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2006-12-22 | | Release date: | 2007-06-26 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the RNA binding domain in the human muscleblind-like protein 2
Protein Sci., 18, 2009
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5ULT
 | | HIV-1 wild Type protease with GRL-100-13A (a Crown-like Oxotricyclic Core as the P2-Ligand with the sulfonamide isostere as the P2' group) | | Descriptor: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, Protease, ... | | Authors: | Wang, Y.-F, Agniswamy, J, Weber, I.T. | | Deposit date: | 2017-01-25 | | Release date: | 2017-05-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Design and Development of Highly Potent HIV-1 Protease Inhibitors with a Crown-Like Oxotricyclic Core as the P2-Ligand To Combat Multidrug-Resistant HIV Variants.
J. Med. Chem., 60, 2017
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2E61
 | | Solution structure of the zf-CW domain in zinc finger CW-type PWWP domain protein 1 | | Descriptor: | ZINC ION, Zinc finger CW-type PWWP domain protein 1 | | Authors: | He, F, Muto, Y, Inoue, M, Kigawa, T, Shirouzu, M, Terada, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2006-12-25 | | Release date: | 2007-06-26 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structural insight into the zinc finger CW domain as a histone modification reader
Structure, 18, 2010
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5BS4
 | | HIV-1 wild Type protease with GRL-047-11A (a methylamine bis-Tetrahydrofuran P2-Ligand, 4-amino sulfonamide derivative) | | Descriptor: | (3R,3aS,4R,6aR)-4-(methylamino)hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, ACETATE ION, CHLORIDE ION, ... | | Authors: | Wang, Y.-F, Agniswamy, J, Weber, I.T. | | Deposit date: | 2015-06-01 | | Release date: | 2015-09-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Design of HIV-1 Protease Inhibitors with Amino-bis-tetrahydrofuran Derivatives as P2-Ligands to Enhance Backbone-Binding Interactions: Synthesis, Biological Evaluation, and Protein-Ligand X-ray Studies.
J.Med.Chem., 58, 2015
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5BRY
 | | HIV-1 wild Type protease with GRL-011-11A (a methylamine bis-Tetrahydrofuran P2-Ligand, sulfonamide isostere derivate) | | Descriptor: | (3R,3aS,4R,6aR)-4-(methylamino)hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, Protease, ... | | Authors: | Wang, Y.-F, Agniswamy, J, Weber, I.T. | | Deposit date: | 2015-06-01 | | Release date: | 2015-09-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Design of HIV-1 Protease Inhibitors with Amino-bis-tetrahydrofuran Derivatives as P2-Ligands to Enhance Backbone-Binding Interactions: Synthesis, Biological Evaluation, and Protein-Ligand X-ray Studies.
J.Med.Chem., 58, 2015
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1UKX
 | | Solution structure of the RWD domain of mouse GCN2 | | Descriptor: | GCN2 eIF2alpha kinase | | Authors: | Nameki, N, Yoneyama, M, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2003-09-03 | | Release date: | 2004-08-03 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the RWD domain of the mouse GCN2 protein.
Protein Sci., 13, 2004
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1UL5
 | | Solution structure of the DNA-binding domain of squamosa promoter binding protein-like 7 | | Descriptor: | ZINC ION, squamosa promoter binding protein-like 7 | | Authors: | Yamasaki, K, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2003-09-09 | | Release date: | 2004-03-09 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | A novel zinc-binding motif revealed by solution structures of DNA-binding domains of Arabidopsis SBP-family transcription factors.
J.Mol.Biol., 337, 2004
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1UL4
 | | Solution structure of the DNA-binding domain of squamosa promoter binding protein-like 4 | | Descriptor: | ZINC ION, squamosa promoter binding protein-like 4 | | Authors: | Yamasaki, K, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2003-09-09 | | Release date: | 2004-03-09 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | A novel zinc-binding motif revealed by solution structures of DNA-binding domains of Arabidopsis SBP-family transcription factors.
J.Mol.Biol., 337, 2004
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1WJ2
 | | Solution Structure of the C-terminal WRKY Domain of AtWRKY4 | | Descriptor: | Probable WRKY transcription factor 4, ZINC ION | | Authors: | Yamasaki, K, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2004-05-28 | | Release date: | 2004-11-28 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of an Arabidopsis WRKY DNA binding domain.
Plant Cell, 17, 2005
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1WID
 | | Solution Structure of the B3 DNA-Binding Domain of RAV1 | | Descriptor: | DNA-binding protein RAV1 | | Authors: | Yamasaki, K, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2004-05-28 | | Release date: | 2004-11-28 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of the B3 DNA Binding Domain of the Arabidopsis Cold-Responsive Transcription Factor RAV1
Plant Cell, 16, 2004
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1WJ0
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