5F1Z
 
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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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1KMF
 | | NMR STRUCTURE OF HUMAN INSULIN MUTANT ILE-A2-ALLO-ILE, HIS-B10-ASP, PRO-B28-LYS, LYS-B29-PRO, 15 STRUCTURES | | Descriptor: | Insulin | | Authors: | Xu, B, Hua, Q.X, Nakagawa, S.H, Jia, W, Chu, Y.C, Katsoyannis, P.G, Weiss, M.A. | | Deposit date: | 2001-12-14 | | Release date: | 2002-01-09 | | Last modified: | 2021-10-27 | | Method: | SOLUTION NMR | | Cite: | Chiral mutagenesis of insulin's hidden receptor-binding surface: structure of an allo-isoleucine(A2) analogue.
J.Mol.Biol., 316, 2002
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1KHH
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4G78
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2LDS
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7YI7
 | | Crystal structure of Human HPSE1 in complex with inhibitor | | Descriptor: | (5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid, Heparanase 50 kDa subunit, Heparanase 8 kDa subunit | | Authors: | Mima, M, Fujimoto, N, Imai, Y. | | Deposit date: | 2022-07-15 | | Release date: | 2022-12-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Lead identification of novel tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid derivative as a potent heparanase-1 inhibitor.
Bioorg.Med.Chem.Lett., 79, 2022
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7YJC
 | | Crystal structure of Human HPSE1 in complex with inhibitor | | Descriptor: | (5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid, Heparanase 50 kDa subunit, Heparanase 8 kDa subunit | | Authors: | Mima, M, Fujimoto, N, Imai, Y. | | Deposit date: | 2022-07-19 | | Release date: | 2022-12-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Lead identification of novel tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid derivative as a potent heparanase-1 inhibitor.
Bioorg.Med.Chem.Lett., 79, 2022
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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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1IWO
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1HQC
 | | STRUCTURE OF RUVB FROM THERMUS THERMOPHILUS HB8 | | Descriptor: | ADENINE, MAGNESIUM ION, RUVB | | Authors: | Yamada, K, Kunishima, N, Mayanagi, K, Iwasaki, H, Morikawa, K. | | Deposit date: | 2000-12-15 | | Release date: | 2001-02-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crystal structure of the Holliday junction migration motor protein RuvB from Thermus thermophilus HB8.
Proc.Natl.Acad.Sci.USA, 98, 2001
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3ONF
 | | Crystal structure of Lupinus luteus S-adenosyl-L-homocysteine hydrolase in complex with cordycepin | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3'-DEOXYADENOSINE, Adenosylhomocysteinase, ... | | Authors: | Brzezinski, K, Jaskolski, M. | | Deposit date: | 2010-08-28 | | Release date: | 2011-08-31 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | High-resolution structures of complexes of plant S-adenosyl-L-homocysteine hydrolase (Lupinus luteus).
Acta Crystallogr.,Sect.D, 68, 2012
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3OND
 | | Crystal structure of Lupinus luteus S-adenosyl-L-homocysteine hydrolase in complex with adenosine | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE, Adenosylhomocysteinase, ... | | Authors: | Brzezinski, K, Jaskolski, M. | | Deposit date: | 2010-08-28 | | Release date: | 2011-08-31 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | High-resolution structures of complexes of plant S-adenosyl-L-homocysteine hydrolase (Lupinus luteus).
Acta Crystallogr.,Sect.D, 68, 2012
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3ONE
 | | Crystal structure of Lupinus luteus S-adenosyl-L-homocysteine hydrolase in complex with adenine | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENINE, Adenosylhomocysteinase, ... | | Authors: | Brzezinski, K, Jaskolski, M. | | Deposit date: | 2010-08-28 | | Release date: | 2011-08-31 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | High-resolution structures of complexes of plant S-adenosyl-L-homocysteine hydrolase (Lupinus luteus).
Acta Crystallogr.,Sect.D, 68, 2012
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6A9J
 | | Crystal structure of the PE-bound N-terminal domain of Atg2 | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Endolysin,Autophagy-related protein 2 | | Authors: | Osawa, T, Noda, N.N. | | Deposit date: | 2018-07-13 | | Release date: | 2019-03-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Atg2 mediates direct lipid transfer between membranes for autophagosome formation.
Nat. Struct. Mol. Biol., 26, 2019
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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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3VH2
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3VH1
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3VH4
 | | Crystal structure of Atg7CTD-Atg8-MgATP complex | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Autophagy-related protein 8, MAGNESIUM ION, ... | | Authors: | Noda, N.N, Satoo, K, Inagaki, F. | | Deposit date: | 2011-08-23 | | Release date: | 2011-09-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structural basis of Atg8 activation by a homodimeric E1, Atg7.
Mol.Cell, 44, 2011
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