8HU6
| AMP deaminase 2 in complex with AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, AMP deaminase 2, SULFATE ION, ... | Authors: | Adachi, T, Doi, S. | Deposit date: | 2022-12-22 | Release date: | 2023-01-18 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | The discovery of 3,3-dimethyl-1,2,3,4-tetrahydroquinoxaline-1-carboxamides as AMPD2 inhibitors with a novel mechanism of action. Bioorg.Med.Chem.Lett., 80, 2023
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2YS8
| Solution structure of the DnaJ-like domain from human ras-associated protein Rap1 | Descriptor: | Rab-related GTP-binding protein RabJ | Authors: | Ohnishi, S, Sato, M, Koshiba, S, Harada, T, Watanabe, S, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-04-03 | Release date: | 2007-10-09 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of the DnaJ-like domain from human ras-associated protein Rap1 To be Published
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8F71
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3DVL
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1X65
| Solution structure of the third cold-shock domain of the human KIAA0885 protein (UNR PROTEIN) | Descriptor: | UNR protein | Authors: | Goroncy, A.K, Kigawa, T, Koshiba, S, Kobayashi, N, Tochio, N, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2005-05-17 | Release date: | 2005-11-17 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | The NMR solution structures of the five constituent cold-shock domains (CSD) of the human UNR (upstream of N-ras) protein. J.Struct.Funct.Genom., 11, 2010
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3G86
| Hepatitis C virus polymerase NS5B (BK 1-570) with thiazine inhibitor | Descriptor: | N-{3-[6-fluoro-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl]-1,1-dioxido-4H-1,4-benzothiazin-7-yl}methanesulfonamide, NICKEL (II) ION, RNA-directed RNA polymerase | Authors: | Harris, S.F, Ghate, M. | Deposit date: | 2009-02-11 | Release date: | 2009-09-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Non-nucleoside inhibitors of HCV polymerase NS5B. Part 2: Synthesis and structure-activity relationships of benzothiazine-substituted quinolinediones Bioorg.Med.Chem.Lett., 19, 2009
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6ESN
| Ligand complex of RORg LBD | Descriptor: | (2~{R})-2-acetamido-~{N}-[4-(5-cyano-3-fluoranyl-2-methoxy-phenyl)thiophen-2-yl]-2-(4-ethylsulfonylphenyl)ethanamide, LYS-HIS-LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN-ASP-SER, Nuclear receptor ROR-gamma, ... | Authors: | Xue, Y, Aagaard, A, Narjes, F. | Deposit date: | 2017-10-23 | Release date: | 2018-08-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Potent and Orally Bioavailable Inverse Agonists of ROR gamma t Resulting from Structure-Based Design. J. Med. Chem., 61, 2018
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3O9V
| Crystal Structure of Human DPP4 Bound to TAK-986 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxic acid, ... | Authors: | Yano, J.K, Aertgeerts, K. | Deposit date: | 2010-08-04 | Release date: | 2011-02-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Discovery of a 3-Pyridylacetic Acid Derivative (TAK-100) as a Potent, Selective and Orally Active Dipeptidyl Peptidase IV (DPP-4) Inhibitor. J.Med.Chem., 53, 2011
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8T6V
| Cryo-EM structure of human Anion Exchanger 1 bound to 4,4'-Diisothiocyanatostilbene-2,2'-Disulfonic Acid (DIDS) | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4,4'-Diisothiocyano-2,2'-stilbenedisulfonic acid, ... | Authors: | Capper, M.J, Zilberg, G, Mathiharan, Y.K, Yang, S, Stone, A.C, Wacker, D. | Deposit date: | 2023-06-18 | Release date: | 2023-09-13 | Last modified: | 2023-11-01 | Method: | ELECTRON MICROSCOPY (2.95 Å) | Cite: | Substrate binding and inhibition of the anion exchanger 1 transporter. Nat.Struct.Mol.Biol., 30, 2023
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8T6U
| Cryo-EM structure of human Anion Exchanger 1 bound to Dipyridamole | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-[[2-[bis(2-hydroxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Capper, M.J, Zilberg, G, Mathiharan, Y.K, Yang, S, Stone, A.C, Wacker, D. | Deposit date: | 2023-06-18 | Release date: | 2023-09-13 | Last modified: | 2023-11-01 | Method: | ELECTRON MICROSCOPY (3.13 Å) | Cite: | Substrate binding and inhibition of the anion exchanger 1 transporter. Nat.Struct.Mol.Biol., 30, 2023
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6FGQ
| Ligand complex of RORg LBD | Descriptor: | Nuclear receptor ROR-gamma, methyl 4-[[3-[5-[2-(4-ethylsulfonylphenyl)ethanoylamino]thiophen-3-yl]pyridin-2-yl]oxymethyl]benzoate | Authors: | Xue, Y, Aagaard, A, Narjes, F. | Deposit date: | 2018-01-11 | Release date: | 2018-08-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Potent and Orally Bioavailable Inverse Agonists of ROR gamma t Resulting from Structure-Based Design. J. Med. Chem., 61, 2018
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3H5S
| Hepatitis C virus polymerase NS5B with saccharin inhibitor | Descriptor: | (5S)-5-tert-butyl-1-(4-fluoro-3-methylbenzyl)-4-hydroxy-3-[8-(methylsulfonyl)-1,1-dioxido-6,7,8,9-tetrahydroisothiazolo[4,5-h]isoquinolin-3-yl]-1,5-dihydro-2H-pyrrol-2-one, RNA-directed RNA polymerase | Authors: | Harris, S.F, Wong, A. | Deposit date: | 2009-04-22 | Release date: | 2009-09-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Non-nucleoside inhibitors of HCV polymerase NS5B. Part 4: structure-based design, synthesis, and biological evaluation of benzo[d]isothiazole-1,1-dioxides Bioorg.Med.Chem.Lett., 19, 2009
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3O95
| Crystal Structure of Human DPP4 Bound to TAK-100 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 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)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Yano, J.K, Aertgeerts, K. | Deposit date: | 2010-08-03 | Release date: | 2011-01-26 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Discovery of a 3-Pyridylacetic Acid Derivative (TAK-100) as a Potent, Selective and Orally Active Dipeptidyl Peptidase IV (DPP-4) Inhibitor. J.Med.Chem., 53, 2011
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3OPM
| Crystal Structure of Human DPP4 Bound to TAK-294 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-1,2-dihydroisoquinolin-6-yl]oxy}acetamide, ... | Authors: | Yano, J.K, Aertgeerts, K. | Deposit date: | 2010-09-01 | Release date: | 2011-10-19 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Identification of 3-aminomethyl-1,2-dihydro-4-phenyl-1-isoquinolones: a new class of potent, selective, and orally active non-peptide dipeptidyl peptidase IV inhibitors that form a unique interaction with Lys554. Bioorg.Med.Chem., 19, 2011
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1X67
| Solution structure of the cofilin homology domain of HIP-55 (drebrin-like protein) | Descriptor: | Drebrin-like protein | Authors: | Goroncy, A.K, Kigawa, T, Koshiba, S, Sato, M, Kobayashi, N, Tochio, N, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2005-05-17 | Release date: | 2005-11-17 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | NMR solution structures of actin depolymerizing factor homology domains. Protein Sci., 18, 2009
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2KUP
| Solution structure of the complex of the PTB domain of SNT-2 and 19-residue peptide (aa 1571-1589) of HALK | Descriptor: | 19-residue peptide from ALK tyrosine kinase receptor, Fibroblast growth factor receptor substrate 3 | Authors: | Li, H, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2010-02-24 | Release date: | 2010-05-26 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structural basis for the recognition of nucleophosmin-anaplastic lymphoma kinase oncoprotein by the phosphotyrosine binding domain of Suc1-associated neurotrophic factor-induced tyrosine-phosphorylated target-2 J.Struct.Funct.Genom., 11, 2010
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3H5U
| Hepatitis C virus polymerase NS5B with saccharin inhibitor 1 | Descriptor: | N-({3-[(5S)-5-tert-butyl-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1,1-dioxido-1,2-benzisothiazol-7-yl}methyl)methanesulfonamide, RNA-directed RNA polymerase | Authors: | Harris, S.F, Ghate, M. | Deposit date: | 2009-04-22 | Release date: | 2009-09-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Non-nucleoside inhibitors of HCV polymerase NS5B. Part 4: structure-based design, synthesis, and biological evaluation of benzo[d]isothiazole-1,1-dioxides Bioorg.Med.Chem.Lett., 19, 2009
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4KJU
| Crystal structure of XIAP-Bir2 with a bound benzodiazepinone inhibitor. | Descriptor: | E3 ubiquitin-protein ligase XIAP, N-{(3S)-5-(4-aminobenzoyl)-1-[(2-methoxynaphthalen-1-yl)methyl]-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl}-N~2~-methyl-L-alaninamide, ZINC ION | Authors: | Lukacs, C.M, Janson, C.A. | Deposit date: | 2013-05-03 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Optimization of Benzodiazepinones as Selective Inhibitors of the X-Linked Inhibitor of Apoptosis Protein (XIAP) Second Baculovirus IAP Repeat (BIR2) Domain. J.Med.Chem., 56, 2013
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4KJV
| Crystal structure of XIAP-Bir2 with a bound spirocyclic benzoxazepinone inhibitor. | Descriptor: | 6-methoxy-5-({(3S)-3-[(N-methyl-L-alanyl)amino]-4-oxo-2',3,3',4,5',6'-hexahydro-5H-spiro[1,5-benzoxazepine-2,4'-pyran]-5-yl}methyl)naphthalene-2-carboxylic acid, E3 ubiquitin-protein ligase XIAP, ZINC ION | Authors: | Lukacs, C.M, Janson, C.A. | Deposit date: | 2013-05-03 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Optimization of Benzodiazepinones as Selective Inhibitors of the X-Linked Inhibitor of Apoptosis Protein (XIAP) Second Baculovirus IAP Repeat (BIR2) Domain. J.Med.Chem., 56, 2013
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4X6Y
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8BNA
| BINDING OF HOECHST 33258 TO THE MINOR GROOVE OF B-DNA | Descriptor: | 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION | Authors: | Pjura, P.E, Grzeskowiak, K, Dickerson, R.E. | Deposit date: | 1986-08-29 | Release date: | 1987-01-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Binding of Hoechst 33258 to the minor groove of B-DNA. J.Mol.Biol., 197, 1987
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5NI7
| Ligand complex of RORg LBD | Descriptor: | DIMETHYL SULFOXIDE, Nuclear receptor ROR-gamma, SODIUM ION, ... | Authors: | Xue, Y, Aagaard, A, Narjes, F. | Deposit date: | 2017-03-23 | Release date: | 2018-08-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Potent and Orally Bioavailable Inverse Agonists of ROR gamma t Resulting from Structure-Based Design. J. Med. Chem., 61, 2018
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5NYU
| M2 G-quadruplex 10 wt% PEG8000 | Descriptor: | DNA (5'-D(*TP*AP*GP*GP*GP*AP*CP*GP*GP*GP*CP*GP*GP*GP*CP*AP*GP*GP*GP*T)-3') | Authors: | Trajkovski, M, Plavec, J, Endoh, T, Tateishi-Karimata, H, Sugimoto, N. | Deposit date: | 2017-05-11 | Release date: | 2018-04-11 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Pursuing origins of (poly)ethylene glycol-induced G-quadruplex structural modulations. Nucleic Acids Res., 46, 2018
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4X6X
| Human soluble epoxide hydrolase in complex with a three substituted cyclopropane derivative | Descriptor: | 3-{4-[(1-{[(1s,2R,3S)-2,3-diphenylcyclopropyl]carbamoyl}piperidin-4-yl)oxy]phenyl}propanoic acid, Bifunctional epoxide hydrolase 2 | Authors: | Chiyo, N, Takai, K, Ishii, T. | Deposit date: | 2014-12-09 | Release date: | 2015-04-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Three-dimensional rational approach to the discovery of potent substituted cyclopropyl urea soluble epoxide hydrolase inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
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5NYS
| M2 G-quadruplex dilute solution | Descriptor: | DNA (5'-D(*TP*AP*GP*GP*GP*AP*CP*GP*GP*GP*CP*GP*GP*GP*CP*AP*GP*GP*GP*T)-3') | Authors: | Trajkovski, M, Plavec, J, Endoh, T, Tateishi-Karimata, H, Sugimoto, N. | Deposit date: | 2017-05-11 | Release date: | 2018-04-11 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Pursuing origins of (poly)ethylene glycol-induced G-quadruplex structural modulations. Nucleic Acids Res., 46, 2018
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