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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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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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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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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2AGV
 | | Crystal structure of the SR CA2+-ATPASE with BHQ and TG | | Descriptor: | 2,5-DITERT-BUTYLBENZENE-1,4-DIOL, OCTANOIC ACID [3S-[3ALPHA, 3ABETA, ... | | Authors: | Toyoshima, C, Obara, K, Norimatsu, Y. | | Deposit date: | 2005-07-27 | | Release date: | 2005-10-25 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Inaugural Article: Structural role of countertransport revealed in Ca2+ pump crystal structure in the absence of Ca2+.
Proc.Natl.Acad.Sci.USA, 102, 2005
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3TLM
 | | Crystal Structure of Endoplasmic Reticulum Ca2+-ATPase (SERCA) From Bovine Muscle | | Descriptor: | CALCIUM ION, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | | Authors: | Sacchetto, R, Bertipaglia, I, Giannetti, S, Cendron, L, Mascarello, F, Damiani, E, Carafoli, E, Zanotti, G. | | Deposit date: | 2011-08-30 | | Release date: | 2012-03-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Crystal structure of sarcoplasmic reticulum Ca(2+)-ATPase (SERCA) from bovine muscle.
J.Struct.Biol., 178, 2012
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3US6
 | | Crystal Structure of Histidine-containing Phosphotransfer Protein MtHPt1 from Medicago truncatula | | Descriptor: | Histidine-containing Phosphotransfer Protein type 1, MtHPt1 | | Authors: | Ruszkowski, M, Brzezinski, K, Jedrzejczak, R, Dauter, M, Dauter, Z, Sikorski, M, Jaskolski, M. | | Deposit date: | 2011-11-23 | | Release date: | 2012-01-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.446 Å) | | Cite: | Medicago truncatula histidine-containing phosphotransfer protein: Structural and biochemical insights into the cytokinin transduction pathway in plants.
Febs J., 280, 2013
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5SIC
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1XCJ
 | | Guanidinoacetate methyltransferase containing S-adenosylhomocysteine and guanidinoacetate | | Descriptor: | GUANIDINO ACETATE, Guanidinoacetate N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Komoto, J, Yamada, T, Takata, Y, Takusagawa, F. | | Deposit date: | 2004-09-02 | | Release date: | 2004-12-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Catalytic mechanism of guanidinoacetate methyltransferase: crystal structures of guanidinoacetate methyltransferase ternary complexes.
Biochemistry, 43, 2004
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1XCL
 | | Guanidinoacetate methyltransferase containing S-adenosylhomocysteine and guanidine | | Descriptor: | GUANIDINE, Guanidinoacetate N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Komoto, J, Yamada, T, Takata, Y, Takusagawa, F. | | Deposit date: | 2004-09-02 | | Release date: | 2004-12-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Catalytic mechanism of guanidinoacetate methyltransferase: crystal structures of guanidinoacetate methyltransferase ternary complexes.
Biochemistry, 43, 2004
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1WPG
 | | Crystal structure of the SR CA2+-ATPase with MGF4 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, OCTANOIC ACID [3S-[3ALPHA, ... | | Authors: | Toyoshima, C, Nomura, H, Tsuda, T. | | Deposit date: | 2004-09-02 | | Release date: | 2004-10-05 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Lumenal gating mechanism revealed in calcium pump crystal structures with phosphate analogues
Nature, 432, 2004
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2H5L
 | | S-Adenosylhomocysteine hydrolase containing NAD and 3-deaza-D-eritadenine | | Descriptor: | (2R,3R)-4-(4-AMINO-1H-IMIDAZO[4,5-C]PYRIDIN-1-YL)-2,3-DIHYDROXYBUTANOIC ACID, Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Yamada, T, Komoto, J, Takusagawa, F. | | Deposit date: | 2006-05-26 | | Release date: | 2007-04-10 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure and function of eritadenine and its 3-deaza analogues: Potent inhibitors of S-adenosylhomocysteine hydrolase and hypocholesterolemic agents.
Biochem.Pharm., 73, 2007
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3VXW
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3A7O
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1VFP
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7D0I
 | | Cryo-EM structure of Schizosaccharomyces pombe Atg9 | | Descriptor: | Autophagy-related protein 9, Lauryl Maltose Neopentyl Glycol | | Authors: | Matoba, K, Tsutsumi, A, Kikkawa, M, Noda, N.N. | | Deposit date: | 2020-09-10 | | Release date: | 2020-10-28 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Atg9 is a lipid scramblase that mediates autophagosomal membrane expansion.
Nat.Struct.Mol.Biol., 27, 2020
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2ZEQ
 | | Crystal structure of ubiquitin-like domain of murine Parkin | | Descriptor: | E3 ubiquitin-protein ligase parkin | | Authors: | Tomoo, K. | | Deposit date: | 2007-12-14 | | Release date: | 2008-08-19 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structure and molecular dynamics simulation of ubiquitin-like domain of murine parkin
Biochim.Biophys.Acta, 1784, 2008
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2ZPN
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2DQS
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2EAT
 | | Crystal structure of the SR CA2+-ATPASE with bound CPA and TG | | Descriptor: | (6AR,11AS,11BR)-10-ACETYL-9-HYDROXY-7,7-DIMETHYL-2,6,6A,7,11A,11B-HEXAHYDRO-11H-PYRROLO[1',2':2,3]ISOINDOLO[4,5,6-CD]INDOL-11-ONE, OCTANOIC ACID [3S-[3ALPHA, 3ABETA, ... | | Authors: | Takahashi, M, Kondou, Y, Toyoshima, C. | | Deposit date: | 2007-02-02 | | Release date: | 2007-03-27 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Interdomain communication in calcium pump as revealed in the crystal structures with transmembrane inhibitors
Proc.Natl.Acad.Sci.Usa, 104, 2007
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2EAU
 | | Crystal structure of the SR CA2+-ATPASE with bound CPA in the presence of curcumin | | Descriptor: | (6AR,11AS,11BR)-10-ACETYL-9-HYDROXY-7,7-DIMETHYL-2,6,6A,7,11A,11B-HEXAHYDRO-11H-PYRROLO[1',2':2,3]ISOINDOLO[4,5,6-CD]INDOL-11-ONE, PHOSPHATIDYLETHANOLAMINE, Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 | | Authors: | Takahashi, M, Kondou, Y, Toyoshima, C. | | Deposit date: | 2007-02-02 | | Release date: | 2007-03-27 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Interdomain communication in calcium pump as revealed in the crystal structures with transmembrane inhibitors
Proc.Natl.Acad.Sci.Usa, 104, 2007
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2EAR
 | | P21 crystal of the SR CA2+-ATPase with bound TG | | Descriptor: | OCTANOIC ACID [3S-[3ALPHA, 3ABETA, 4ALPHA, ... | | Authors: | Takahashi, M, Kondou, Y, Toyoshima, C. | | Deposit date: | 2007-02-02 | | Release date: | 2007-03-27 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Interdomain communication in calcium pump as revealed in the crystal structures with transmembrane inhibitors
Proc.Natl.Acad.Sci.Usa, 104, 2007
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1WDL
 | | fatty acid beta-oxidation multienzyme complex from Pseudomonas fragi, form II (native4) | | Descriptor: | 3,6,9,12,15-PENTAOXATRICOSAN-1-OL, 3-ketoacyl-CoA thiolase, ACETYL COENZYME *A, ... | | Authors: | Ishikawa, M, Tsuchiya, D, Oyama, T, Tsunaka, Y, Morikawa, K. | | Deposit date: | 2004-05-17 | | Release date: | 2004-07-27 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structural basis for channelling mechanism of a fatty acid beta-oxidation multienzyme complex
Embo J., 23, 2004
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1WDK
 | | fatty acid beta-oxidation multienzyme complex from Pseudomonas fragi, form I (native2) | | Descriptor: | 3,6,9,12,15-PENTAOXATRICOSAN-1-OL, 3-ketoacyl-CoA thiolase, ACETYL COENZYME *A, ... | | Authors: | Ishikawa, M, Tsuchiya, D, Oyama, T, Tsunaka, Y, Morikawa, K. | | Deposit date: | 2004-05-17 | | Release date: | 2004-07-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis for channelling mechanism of a fatty acid beta-oxidation multienzyme complex
Embo J., 23, 2004
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1WDM
 | | fatty acid beta-oxidation multienzyme complex from Pseudomonas fragi, form I (native3) | | Descriptor: | 3-ketoacyl-CoA thiolase, ACETYL COENZYME *A, Fatty oxidation complex alpha subunit, ... | | Authors: | Ishikawa, M, Tsuchiya, D, Oyama, T, Tsunaka, Y, Morikawa, K. | | Deposit date: | 2004-05-17 | | Release date: | 2004-07-27 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Structural basis for channelling mechanism of a fatty acid beta-oxidation multienzyme complex
Embo J., 23, 2004
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