8I19
 
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8I1I
 | | Crystal structure of human MTH1(G2K/D120N mutant) in complex with 2-oxo-dATP at pH 7.7 | | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, SODIUM ION, [[(2R,3S,5R)-5-(6-azanyl-2-oxidanylidene-1H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | | Authors: | Nakamura, T, Yamagata, Y. | | Deposit date: | 2023-01-13 | | Release date: | 2023-03-22 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Protonation states of Asp residues in the human Nudix hydrolase MTH1 contribute to its broad substrate recognition.
Febs Lett., 597, 2023
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8I1E
 | | Crystal structure of human MTH1(G2K mutant) in complex with 2-oxo-dATP at pH 8.0 | | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, SODIUM ION, [[(2R,3S,5R)-5-(6-azanyl-2-oxidanylidene-1H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | | Authors: | Nakamura, T, Yamagata, Y. | | Deposit date: | 2023-01-13 | | Release date: | 2023-03-22 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Protonation states of Asp residues in the human Nudix hydrolase MTH1 contribute to its broad substrate recognition.
Febs Lett., 597, 2023
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8I8T
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8I8S
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8I1F
 | | Crystal structure of human MTH1(G2K mutant) in complex with 2-oxo-dATP at pH 8.6 | | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, SODIUM ION, [[(2R,3S,5R)-5-(6-azanyl-2-oxidanylidene-1H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | | Authors: | Nakamura, T, Yamagata, Y. | | Deposit date: | 2023-01-13 | | Release date: | 2023-03-22 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Protonation states of Asp residues in the human Nudix hydrolase MTH1 contribute to its broad substrate recognition.
Febs Lett., 597, 2023
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5WJJ
 | | Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[1,2-b]pyridazine-based p38 MAP Kinase Inhibitors | | Descriptor: | Mitogen-activated protein kinase 14, N-{4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-yl}-2-methyl-1-oxo-1lambda~5~-pyridine-4-carboxamide | | Authors: | Snell, G.P, Okada, K, Bragstad, K, Sang, B.-C. | | Deposit date: | 2017-07-23 | | Release date: | 2018-01-17 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure-based design, synthesis, and biological evaluation of imidazo[1,2-b]pyridazine-based p38 MAP kinase inhibitors.
Bioorg. Med. Chem., 26, 2018
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8GZC
 | | Crystal structure of EP300 HAT domain in complex with compound 10 | | Descriptor: | (2~{R},4~{R})-4-fluoranyl-1-[1-(4-methoxyphenyl)cyclohexyl]carbonyl-~{N}-(1~{H}-pyrazolo[4,3-b]pyridin-5-yl)pyrrolidine-2-carboxamide, Histone acetyltransferase p300, ZINC ION | | Authors: | Takahashi, M, Hanzawa, H. | | Deposit date: | 2022-09-26 | | Release date: | 2023-01-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of DS-9300: A Highly Potent, Selective, and Once-Daily Oral EP300/CBP Histone Acetyltransferase Inhibitor.
J.Med.Chem., 66, 2023
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8HB5
 | | Crystal structure of Mincle in complex with HD-275 | | Descriptor: | (2~{R},3~{R},4~{S},5~{S},6~{R})-6-(methoxymethyl)oxane-2,3,4,5-tetrol, C-type lectin domain family 4 member E, CALCIUM ION | | Authors: | Ishizuka, S, Nagae, M, Yamasaki, S. | | Deposit date: | 2022-10-27 | | Release date: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | PGL-III, a Rare Intermediate of Mycobacterium leprae Phenolic Glycolipid Biosynthesis, Is a Potent Mincle Ligand.
Acs Cent.Sci., 9, 2023
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8H4V
 | | Mincle CRD complex with PGL trisaccharide | | Descriptor: | (2~{R},3~{R},4~{S},5~{S},6~{R})-6-(methoxymethyl)oxane-2,3,4,5-tetrol-(1-4)-6-deoxy-2,3-di-O-methyl-alpha-L-mannopyranose-(1-2)-3-O-methyl-alpha-L-rhamnopyranose, C-type lectin domain family 4 member E, CALCIUM ION | | Authors: | Ishizuka, S, Nagae, M, Yamasaki, S. | | Deposit date: | 2022-10-11 | | Release date: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | PGL-III, a Rare Intermediate of Mycobacterium leprae Phenolic Glycolipid Biosynthesis, Is a Potent Mincle Ligand.
Acs Cent.Sci., 9, 2023
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7EIC
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7EID
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7EIE
 | | Crystal structure of YEATS2 YEATS domain | | Descriptor: | GLYCEROL, YEATS domain-containing protein 2 | | Authors: | Kikuchi, M, Umehara, T. | | Deposit date: | 2021-03-30 | | Release date: | 2022-04-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Elucidation of binding preferences of YEATS domains to site-specific acetylated nucleosome core particles.
J.Biol.Chem., 298, 2022
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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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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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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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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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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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7Y1G
 | | Crystal structure of human PRKACA complexed with DS01080522 | | Descriptor: | 1-chloranyl-~{N}-[(~{S})-(3-chloranyl-4-cyano-phenyl)-[(2~{R},4~{S})-4-oxidanylpyrrolidin-2-yl]methyl]-7-methoxy-isoquinoline-6-carboxamide, ZINC ION, cAMP-dependent protein kinase catalytic subunit alpha | | Authors: | Suzuki, M, Ubukata, O, Toyoda, A. | | Deposit date: | 2022-06-08 | | Release date: | 2022-09-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Novel protein kinase cAMP-Activated Catalytic Subunit Alpha (PRKACA) inhibitor shows anti-tumor activity in a fibrolamellar hepatocellular carcinoma model.
Biochem.Biophys.Res.Commun., 621, 2022
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5X9P
 | | Crystal structure of the BCL6 BTB domain in complex with Compound 5 | | Descriptor: | 3-[[4-chloranyl-2-nitro-5-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)amino]phenyl]amino]propanoic acid, B-cell lymphoma 6 protein | | Authors: | Sogabe, S, Ida, K, Lane, W, Snell, G. | | Deposit date: | 2017-03-08 | | Release date: | 2017-08-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Discovery of a novel B-cell lymphoma 6 (BCL6)-corepressor interaction inhibitor by utilizing structure-based drug design
Bioorg. Med. Chem., 25, 2017
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7CSS
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7D37
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5ZFI
 | | Mouse kallikrein 7 in complex with 6-benzyl-1,4-diazepan-7-one derivative | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[(3Z,6R)-6-[(2,6-dichlorophenyl)methyl]-3-(dimethylhydrazinylidene)-7-oxo-1,4-diazepan-1-yl]-N-[3-(1-methyl-1H-pyrazol-4-yl)phenyl]acetamide, Kallikrein-7 | | Authors: | Sugawara, H. | | Deposit date: | 2018-03-06 | | Release date: | 2018-06-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-based drug design to overcome species differences in kallikrein 7 inhibition of 1,3,6-trisubstituted 1,4-diazepan-7-ones.
Bioorg. Med. Chem., 26, 2018
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5ZFH
 | | Mouse Kallikrein 7 | | Descriptor: | Kallikrein-7 | | Authors: | Sugawara, H. | | Deposit date: | 2018-03-06 | | Release date: | 2018-06-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Structure-based drug design to overcome species differences in kallikrein 7 inhibition of 1,3,6-trisubstituted 1,4-diazepan-7-ones.
Bioorg. Med. Chem., 26, 2018
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1Y37
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