4RVI
| Crystal structure of multidrug-resistant clinical isolate A02 HIV-1 protease in complex with non-peptidic inhibitor, GRL0519 | 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, HIV-1 protease | Authors: | Yedidi, R.S, Garimella, H, Kaufman, J.D, Das, D, Wingfield, P.T, Ghosh, A.K, Mitsuya, H. | Deposit date: | 2014-11-26 | Release date: | 2016-05-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Enhanced antiviral activity by the P2-tris-tetrahydrofuran moiety of GRL-0519, a novel nonpeptidic HIV-1 protease inhibitor (PI), against multi-PI-resistant and highly darunavir-resistant strains of HIV-1 To be Published
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4RVX
| Crystal structure of multidrug-resistant clinical isolate A02 HIV-1 protease in complex with non-peptidic inhibitor, GRL079 | Descriptor: | (4S)-4-amino-N-[(2S,3S)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]-3,4-dihydro-2H-chromene-6-carboxamide, HIV-1 Protease | Authors: | Yedidi, R.S, Garimella, H, Kaufman, J.D, Das, D, Wingfield, P.T, Ghosh, A.K, Mitsuya, H. | Deposit date: | 2014-11-28 | Release date: | 2016-05-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.955 Å) | Cite: | Enhanced antiviral activity by the P2-tris-tetrahydrofuran moiety of GRL-0519, a novel nonpeptidic HIV-1 protease inhibitor (PI), against multi-PI-resistant and highly darunavir-resistant strains of HIV-1. To be Published
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6CDJ
| HIV-1 wild type protease with GRL-03314A, 6-5-5-ring fused umbrella-like tetrahydropyranofuran as the P2-ligand, a cyclopropylaminobenzothiazole as the P2'-ligand and 3,5-difluorophenylmethyl as the P1-ligand | Descriptor: | (2aS,4R,4aS,7aS,7bS)-octahydro-2H-1,7-dioxacyclopenta[cd]inden-4-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate, ACETATE ION, CHLORIDE ION, ... | Authors: | Wang, Y.-F, Agniswamy, J, Weber, I.T. | Deposit date: | 2018-02-08 | Release date: | 2018-05-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Design and Synthesis of Highly Potent HIV-1 Protease Inhibitors Containing Tricyclic Fused Ring Systems as Novel P2 Ligands: Structure-Activity Studies, Biological and X-ray Structural Analysis. J. Med. Chem., 61, 2018
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6CDL
| HIV-1 wild type protease with GRL-03214A, 6-5-5-ring fused umbrella-like tetrahydropyranofuran as the P2-ligand, a cyclopropylaminobenzothiazole as the P2'-ligand and 3,5-difluorophenylmethyl as the P1-ligand | Descriptor: | (2aR,4S,4aR,7aR,7bR)-octahydro-2H-1,7-dioxacyclopenta[cd]inden-4-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate, ACETATE ION, CHLORIDE ION, ... | Authors: | Wang, Y.-F, Agniswamy, J, Weber, I.T. | Deposit date: | 2018-02-08 | Release date: | 2018-05-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Design and Synthesis of Highly Potent HIV-1 Protease Inhibitors Containing Tricyclic Fused Ring Systems as Novel P2 Ligands: Structure-Activity Studies, Biological and X-ray Structural Analysis. J. Med. Chem., 61, 2018
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5HNY
| Structural basis of backwards motion in kinesin-14: plus-end directed nKn669 in the AMPPNP state | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Shigematsu, H, Yokoyama, T, Kikkawa, M, Shirouzu, M, Nitta, R. | Deposit date: | 2016-01-19 | Release date: | 2016-08-10 | Last modified: | 2016-11-02 | Method: | ELECTRON MICROSCOPY (6.3 Å) | Cite: | Structural Basis of Backwards Motion in Kinesin-1-Kinesin-14 Chimera: Implication for Kinesin-14 Motility Structure, 24, 2016
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5HNZ
| Structural basis of backwards motion in kinesin-14: plus-end directed nKn669 in the nucleotide-free state | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Shigematsu, H, Yokoyama, T, Kikkawa, M, Shirouzu, M, Nitta, R. | Deposit date: | 2016-01-19 | Release date: | 2016-08-10 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (5.8 Å) | Cite: | Structural Basis of Backwards Motion in Kinesin-1-Kinesin-14 Chimera: Implication for Kinesin-14 Motility Structure, 24, 2016
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5HNX
| Structural basis of backwards motion in kinesin-14: minus-end directed nKn664 in the nucleotide-free state | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Shigematsu, H, Yokoyama, T, Kikkawa, M, Shirouzu, M, Nitta, R. | Deposit date: | 2016-01-19 | Release date: | 2016-08-10 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (6.6 Å) | Cite: | Structural Basis of Backwards Motion in Kinesin-1-Kinesin-14 Chimera: Implication for Kinesin-14 Motility Structure, 24, 2016
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5HNW
| Structural basis of backwards motion in kinesin-14: minus-end directed nKn664 in the AMPPNP state | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Shigematsu, H, Yokoyama, T, Kikkawa, M, Shirouzu, M, Nitta, R. | Deposit date: | 2016-01-19 | Release date: | 2016-08-10 | Last modified: | 2018-07-25 | Method: | ELECTRON MICROSCOPY (6.6 Å) | Cite: | Structural Basis of Backwards Motion in Kinesin-1-Kinesin-14 Chimera: Implication for Kinesin-14 Motility Structure, 24, 2016
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5HLE
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5UOV
| HIV-1 wild Type protease with GRL-1118A , an isophthalamide-derived P2-P3 ligand with the sulfonamide isostere as the P2' group | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Wang, Y.-F, Agniswamy, J, Weber, I.T. | Deposit date: | 2017-02-01 | Release date: | 2017-05-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Design of novel HIV-1 protease inhibitors incorporating isophthalamide-derived P2-P3 ligands: Synthesis, biological evaluation and X-ray structural studies of inhibitor-HIV-1 protease complex. Bioorg. Med. Chem., 25, 2017
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5UPZ
| HIV-1 wild Type protease with GRL-0518A , an isophthalamide-derived P2-P3 ligand with the para-hydoxymethyl sulfonamide isostere as the P2' group | Descriptor: | CHLORIDE ION, GLYCEROL, N~3~-{(2S,3R)-3-hydroxy-4-[{[4-(hydroxymethyl)phenyl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}-N~1~-methyl-N~1~-[(4-methyl-1,3-oxazol-2-yl)methyl]benzene-1,3-dicarboxamide, ... | Authors: | Wang, Y.-F, Agniswamy, J, Weber, I.T. | Deposit date: | 2017-02-05 | Release date: | 2017-05-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Design of novel HIV-1 protease inhibitors incorporating isophthalamide-derived P2-P3 ligands: Synthesis, biological evaluation and X-ray structural studies of inhibitor-HIV-1 protease complex. Bioorg. Med. Chem., 25, 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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1IVZ
| Solution structure of the SEA domain from murine hypothetical protein homologous to human mucin 16 | Descriptor: | hypothetical protein 1110008I14RIK | Authors: | Maeda, T, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2002-04-02 | Release date: | 2002-10-02 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution structure of the SEA domain from the murine homologue of ovarian cancer antigen CA125 (MUC16) J.Biol.Chem., 279, 2004
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6BZ2
| Crystal structure of wild-type HIV-1 protease with a novel HIV-1 inhibitor GRL-14213A of 6-5-5-ring fused crown-like tetrahydropyranofuran as the P2-ligand, a cyclopropylaminobenzothiazole as the P2'-ligand and 3,5-difluorophenylmethyl as the P1-ligand | Descriptor: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate, ACETATE ION, CHLORIDE ION, ... | Authors: | Wang, Y.-F, Agniswamy, J, Weber, I.T. | Deposit date: | 2017-12-22 | Release date: | 2018-02-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Design of Highly Potent, Dual-Acting and Central-Nervous-System-Penetrating HIV-1 Protease Inhibitors with Excellent Potency against Multidrug-Resistant HIV-1 Variants. ChemMedChem, 13, 2018
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1IXD
| Solution structure of the CAP-GLY domain from human cylindromatosis tomour-suppressor CYLD | Descriptor: | Cylindromatosis tumour-suppressor CYLD | Authors: | Saito, K, Koshiba, S, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2002-06-19 | Release date: | 2002-12-19 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | The CAP-Gly domain of CYLD associates with the proline-rich sequence in NEMO/IKKgamma STRUCTURE, 12, 2004
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6U7O
| HIV-1 wild type protease with GRL-00819A, with phenyl-boronic-acid as P2'-ligand and with a 6-5-5-ring fused crown-like tetrahydropyranofuran as the P2-ligand | Descriptor: | CHLORIDE ION, FORMIC ACID, GLYCEROL, ... | Authors: | Wang, Y.-F, Kneller, D.W, Weber, I.T. | Deposit date: | 2019-09-03 | Release date: | 2019-10-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Potent HIV-1 Protease Inhibitors Containing Carboxylic and Boronic Acids: Effect on Enzyme Inhibition and Antiviral Activity and Protein-Ligand X-ray Structural Studies. Chemmedchem, 14, 2019
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6U7P
| HIV-1 wild type protease with GRL-03119A, with phenyl-boronic-acid as P2'-ligand and with a hexahydro-4H-furo-pyran as the P2-ligand | Descriptor: | CHLORIDE ION, FORMIC ACID, GLYCEROL, ... | Authors: | Wang, Y.-F, Kneller, D.W, Weber, I.T. | Deposit date: | 2019-09-03 | Release date: | 2019-10-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Potent HIV-1 Protease Inhibitors Containing Carboxylic and Boronic Acids: Effect on Enzyme Inhibition and Antiviral Activity and Protein-Ligand X-ray Structural Studies. Chemmedchem, 14, 2019
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1GCZ
| MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) COMPLEXED WITH INHIBITOR. | Descriptor: | 7-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTER, CITRIC ACID, MACROPHAGE MIGRATION INHIBITORY FACTOR, ... | Authors: | Katayama, N, Kurihara, H. | Deposit date: | 2000-08-24 | Release date: | 2001-02-21 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Coumarin and chromen-4-one analogues as tautomerase inhibitors of macrophage migration inhibitory factor: discovery and X-ray crystallography. J.Med.Chem., 44, 2001
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1GD0
| HUMAN MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) | Descriptor: | CITRIC ACID, MACROPHAGE MIGRATION INHIBITORY FACTOR, SULFATE ION | Authors: | Kurihara, H, Katayama, N. | Deposit date: | 2000-08-24 | Release date: | 2001-02-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Coumarin and chromen-4-one analogues as tautomerase inhibitors of macrophage migration inhibitory factor: discovery and X-ray crystallography. J.Med.Chem., 44, 2001
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8HSH
| Thermus thermophilus RNA polymerase coreenzyme | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | Authors: | Murayama, Y, Ehara, H, Sekine, S. | Deposit date: | 2022-12-19 | Release date: | 2023-05-03 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural basis of the transcription termination factor Rho engagement with transcribing RNA polymerase from Thermus thermophilus. Sci Adv, 9, 2023
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8HSG
| Thermus thermophilus RNA polymerase elongation complex | Descriptor: | DNA (27-MER), DNA (37-MER), DNA-directed RNA polymerase subunit alpha, ... | Authors: | Murayama, Y, Ehara, H, Sekine, S. | Deposit date: | 2022-12-19 | Release date: | 2023-05-03 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural basis of the transcription termination factor Rho engagement with transcribing RNA polymerase from Thermus thermophilus. Sci Adv, 9, 2023
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8HSL
| Thermus thermophilus RNA polymerase bound with an inverted Rho hexamer | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, DNA-directed RNA polymerase subunit alpha, ... | Authors: | Murayama, Y, Ehara, H, Sekine, S. | Deposit date: | 2022-12-19 | Release date: | 2023-05-03 | Method: | ELECTRON MICROSCOPY (5.8 Å) | Cite: | Structural basis of the transcription termination factor Rho engagement with transcribing RNA polymerase from Thermus thermophilus. Sci Adv, 9, 2023
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8HSJ
| Thermus thermophilus transcription termination factor Rho bound with ADP-BeF3 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ... | Authors: | Murayama, Y, Ehara, H, Sekine, S. | Deposit date: | 2022-12-19 | Release date: | 2023-05-03 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural basis of the transcription termination factor Rho engagement with transcribing RNA polymerase from Thermus thermophilus. Sci Adv, 9, 2023
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8HSR
| Thermus thermophilus Rho-engaged RNAP elongation complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, DNA (31-MER), ... | Authors: | Murayama, Y, Ehara, H, Sekine, S. | Deposit date: | 2022-12-20 | Release date: | 2023-05-03 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structural basis of the transcription termination factor Rho engagement with transcribing RNA polymerase from Thermus thermophilus. Sci Adv, 9, 2023
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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: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | Solution structure of an Arabidopsis WRKY DNA binding domain. Plant Cell, 17, 2005
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