3VRH
| Crystal structure of ph0300 | Descriptor: | BICINE, Putative uncharacterized protein PH0300, ZINC ION | Authors: | Nakagawa, H, Kuratani, M, Goto-Ito, S, Ito, T, Sekine, S.I, Yokoyama, S. | Deposit date: | 2012-04-10 | Release date: | 2013-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystallographic and mutational studies on the tRNA thiouridine synthetase TtuA. Proteins, 2013
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5XFA
| Crystal structure of NAD+-reducing [NiFe]-hydrogenase in the H2-reduced state | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER, ... | Authors: | Shomura, Y, Taketa, M, Nakashima, H, Tai, H, Nakagawa, H, Ikeda, Y, Ishii, M, Igarashi, Y, Nishihara, H, Yoon, K.S, Ogo, S, Hirota, S, Higuchi, Y. | Deposit date: | 2017-04-09 | Release date: | 2017-08-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis of the redox switches in the NAD(+)-reducing soluble [NiFe]-hydrogenase Science, 357, 2017
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5XF9
| Crystal structure of NAD+-reducing [NiFe]-hydrogenase in the air-oxidized state | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | Authors: | Shomura, Y, Taketa, M, Nakashima, H, Tai, H, Nakagawa, H, Ikeda, Y, Ishii, M, Igarashi, Y, Nishihara, H, Yoon, K.S, Ogo, S, Hirota, S, Higuchi, Y. | Deposit date: | 2017-04-09 | Release date: | 2017-08-23 | Last modified: | 2017-09-20 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Structural basis of the redox switches in the NAD(+)-reducing soluble [NiFe]-hydrogenase Science, 357, 2017
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3VW6
| Crystal structure of human apoptosis signal-regulating kinase 1 (ASK1) with imidazopyridine inhibitor | Descriptor: | 4-tert-butyl-N-[6-(1H-imidazol-1-yl)imidazo[1,2-a]pyridin-2-yl]benzamide, Mitogen-activated protein kinase kinase kinase 5 | Authors: | Terao, Y, Suzuki, H, Yoshikawa, M, Yashiro, H, Takekawa, S, Fujitani, Y, Okada, K, Inoue, Y, Yamamoto, Y, Nakagawa, H, Yao, S, Kawamoto, T, Uchikawa, O. | Deposit date: | 2012-08-06 | Release date: | 2012-10-31 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Design and biological evaluation of imidazo[1,2-a]pyridines as novel and potent ASK1 inhibitors. Bioorg. Med. Chem. Lett., 22, 2012
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5ZCN
| Solution NMR structure of a new lasso peptide brevunsin | Descriptor: | brevunsin | Authors: | Hemmi, H, Kodani, S, Miyake, Y, Kaweewan, I, Nakagawa, H. | Deposit date: | 2018-02-19 | Release date: | 2018-10-17 | Last modified: | 2024-10-09 | Method: | SOLUTION NMR | Cite: | Heterologous production of a new lasso peptide brevunsin in Sphingomonas subterranea J. Ind. Microbiol. Biotechnol., 45, 2018
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5ZR0
| Solution structure of peptidyl-prolyl cis/trans isomerase domain of Trigger Factor in complex with MBP | Descriptor: | Maltose-binding periplasmic protein,Trigger factor | Authors: | Kawagoe, S, Nakagawa, H, Kumeta, H, Ishimori, K, Saio, T. | Deposit date: | 2018-04-21 | Release date: | 2018-08-22 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structural insight into prolinecis/transisomerization of unfolded proteins catalyzed by the trigger factor chaperone. J. Biol. Chem., 293, 2018
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6LEH
| Crystal structure of Autotaxin in complex with an inhibitor | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Nishimasu, H, Osamu, N. | Deposit date: | 2019-11-25 | Release date: | 2020-03-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification of PotentIn VivoAutotaxin Inhibitors that Bind to Both Hydrophobic Pockets and Channels in the Catalytic Domain. J.Med.Chem., 63, 2020
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5H4S
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5F9E
| Structure of Protein Kinase C theta with compound 10: 2,2-dimethyl-7-(2-oxidanylidene-3~{H}-imidazo[4,5-b]pyridin-1-yl)-1-(phenylmethyl)-3~{H}-quinazolin-4-one | Descriptor: | 2,2-dimethyl-7-(2-oxidanylidene-3~{H}-imidazo[4,5-b]pyridin-1-yl)-1-(phenylmethyl)-3~{H}-quinazolin-4-one, Protein kinase C theta type | Authors: | Klein, M. | Deposit date: | 2015-12-09 | Release date: | 2016-05-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery and optimization of 1,7-disubstituted-2,2-dimethyl-2,3-dihydroquinazolin-4(1H)-ones as potent and selective PKC theta inhibitors. Bioorg.Med.Chem., 24, 2016
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5F20
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5F1Z
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6OVA
| Crystal Structure of TYK2 with novel pyrrolidinone inhibitor | Descriptor: | 6-({4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]pyridin-2-yl}amino)-N,N-dimethylpyridine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2 | Authors: | Skene, R.J, Hoffman, I.D. | Deposit date: | 2019-05-07 | Release date: | 2020-02-12 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Efficient synthesis of tert-butyl 3-cyano-3-cyclopropyl-2-oxopyrrolidine-4-carboxylates: Highly functionalized 2-pyrrolidinone enabling access to novel macrocyclic Tyk2 inhibitors. Bioorg.Med.Chem.Lett., 30, 2020
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7YL5
| Cell surface protein YwfG protein complexed with mannose | Descriptor: | CALCIUM ION, GRAM_POS_ANCHORING domain-containing protein, SULFATE ION, ... | Authors: | Tsuchiya, W, Fujimoto, Z, Suzuki, C. | Deposit date: | 2022-07-25 | Release date: | 2023-06-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Cell-surface protein YwfG of Lactococcus lactis binds to alpha-1,2-linked mannose. Plos One, 18, 2023
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7YL6
| Cell surface protein YwfG protein complexed with alpha-1,2-mannobiose | Descriptor: | CALCIUM ION, GRAM_POS_ANCHORING domain-containing protein, SULFATE ION, ... | Authors: | Tsuchiya, W, Fujimoto, Z, Suzuki, C. | Deposit date: | 2022-07-25 | Release date: | 2023-06-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Cell-surface protein YwfG of Lactococcus lactis binds to alpha-1,2-linked mannose. Plos One, 18, 2023
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7YL4
| Cell surface protein YwfG protein (apo form) | Descriptor: | CALCIUM ION, GRAM_POS_ANCHORING domain-containing protein, SULFATE ION | Authors: | Tsuchiya, W, Fujimoto, Z, Suzuki, C. | Deposit date: | 2022-07-25 | Release date: | 2023-06-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Cell-surface protein YwfG of Lactococcus lactis binds to alpha-1,2-linked mannose. Plos One, 18, 2023
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6BR2
| Structure of RORgt in complex with a novel isoquinoline inverse agonist. | Descriptor: | (1R)-N-(4-tert-butyl-3-fluorophenyl)-6-methoxy-2-[(3-oxo-2,3-dihydro-1,2-oxazol-5-yl)acetyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, Nuclear receptor ROR-gamma | Authors: | Skene, R.J, Hoffman, I. | Deposit date: | 2017-11-29 | Release date: | 2018-03-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.18 Å) | Cite: | Discovery of [ cis-3-({(5 R)-5-[(7-Fluoro-1,1-dimethyl-2,3-dihydro-1 H-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridin-6(5 H)-yl}carbonyl)cyclobutyl]acetic Acid (TAK-828F) as a Potent, Selective, and Orally Available Novel Retinoic Acid Receptor-Related Orphan Receptor gamma t Inverse Agonist. J. Med. Chem., 61, 2018
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6BR3
| Structure of RORgt in complex with a novel inverse agonist TAK-828. | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Nuclear receptor ROR-gamma, {cis-3-[(5R)-5-[(7-fluoro-1,1-dimethyl-1H-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridine-6(5H)-carbonyl]cyclobutyl}acetic acid | Authors: | Skene, R.J, Hoffman, I. | Deposit date: | 2017-11-29 | Release date: | 2018-03-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Discovery of [ cis-3-({(5 R)-5-[(7-Fluoro-1,1-dimethyl-2,3-dihydro-1 H-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridin-6(5 H)-yl}carbonyl)cyclobutyl]acetic Acid (TAK-828F) as a Potent, Selective, and Orally Available Novel Retinoic Acid Receptor-Related Orphan Receptor gamma t Inverse Agonist. J. Med. Chem., 61, 2018
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6B30
| Structure of RORgt in complex with a novel inverse agonist 1 | Descriptor: | N-[(1R)-1-(4-methoxyphenyl)-2-oxo-2-{[4-(trimethylsilyl)phenyl]amino}ethyl]-N-methyl-3-oxo-2,3-dihydro-1,2-oxazole-5-carboxamide, Nuclear receptor ROR-gamma | Authors: | Skene, R.J, Hoffman, I. | Deposit date: | 2017-09-20 | Release date: | 2018-01-03 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Discovery of orally efficacious ROR gamma t inverse agonists, part 1: Identification of novel phenylglycinamides as lead scaffolds. Bioorg. Med. Chem., 26, 2018
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6B31
| Structure of RORgt in complex with a novel inverse agonist 2 | Descriptor: | (3S)-N~1~-(3-chloro-4-cyanophenyl)-N~5~-(1,3-diethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-6-yl)-3-methylpentanediamide, Nuclear receptor ROR-gamma | Authors: | Skene, R.J, Hoffman, I. | Deposit date: | 2017-09-20 | Release date: | 2018-08-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.18 Å) | Cite: | Identification of novel quinazolinedione derivatives as ROR gamma t inverse agonist. Bioorg. Med. Chem., 26, 2018
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6B33
| Structure of RORgt in complex with a novel inverse agonist 3 | Descriptor: | (2R)-N~2~-(3-chloro-4-cyanophenyl)-N~4~-[3-(cyclopropylmethyl)-2,4-dioxo-1-(propan-2-yl)-1,2,3,4-tetrahydroquinazolin-6-yl]morpholine-2,4-dicarboxamide, Nuclear receptor ROR-gamma | Authors: | Skene, R.J, Hoffman, I, Snell, G. | Deposit date: | 2017-09-20 | Release date: | 2018-11-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Design and Synthesis of Conformationally Constrained ROR gamma t Inverse Agonists. Chemmedchem, 2019
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8UW1
| Cryo-EM structure of DNMT3A1 UDR in complex with H2AK119Ub-nucleosome | Descriptor: | DNA (146-MER), DNA (cytosine-5)-methyltransferase 3A, Histone H2A, ... | Authors: | Gretarsson, K, Abini-Agbomson, S, Armache, K.-J, Lu, C. | Deposit date: | 2023-11-05 | Release date: | 2024-09-11 | Method: | ELECTRON MICROSCOPY (2.88 Å) | Cite: | Cancer-associated DNA hypermethylation of Polycomb targets requires DNMT3A dual recognition of histone H2AK119 ubiquitination and the nucleosome acidic patch. Sci Adv, 10, 2024
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