6KB6
 
 | | X-ray structure of human PPARalpha ligand binding domain-tetradecylthioacetic acid (TTA) co-crystals obtained by delipidation and cross-seeding | | Descriptor: | 2-tetradecylsulfanylethanoic acid, GLYCEROL, Peroxisome proliferator-activated receptor alpha | | Authors: | Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I. | | Deposit date: | 2019-06-24 | | Release date: | 2020-11-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.431 Å) | | Cite: | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
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3FX5
 | | Structure of HIV-1 Protease in Complex with Potent Inhibitor KNI-272 Determined by High Resolution X-ray Crystallography | | Descriptor: | (4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-S-methyl-L-cysteinyl}amino)-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide, GLYCEROL, protease | | Authors: | Adachi, M, Ohhara, T, Tamada, T, Okazaki, N, Kuroki, R. | | Deposit date: | 2009-01-20 | | Release date: | 2009-03-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (0.93 Å) | | Cite: | Structure of HIV-1 protease in complex with potent inhibitor KNI-272 determined by high-resolution X-ray and neutron crystallography.
Proc.Natl.Acad.Sci.USA, 2009
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7VSG
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7VSH
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7W47
 | | Crystal structure of the gastric proton pump complexed with tegoprazan | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Potassium-transporting ATPase alpha chain 1, ... | | Authors: | Abe, K, Tanaka, S, Morita, M, Yamagishi, T. | | Deposit date: | 2021-11-26 | | Release date: | 2022-01-05 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural Basis for Binding of Potassium-Competitive Acid Blockers to the Gastric Proton Pump.
J.Med.Chem., 65, 2022
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7W48
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7W49
 | | Crystal structure of the gastric proton pump complexed with soraprazan | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Potassium-transporting ATPase alpha chain 1, ... | | Authors: | Abe, K, Tanaka, S. | | Deposit date: | 2021-11-26 | | Release date: | 2022-01-05 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural Basis for Binding of Potassium-Competitive Acid Blockers to the Gastric Proton Pump.
J.Med.Chem., 65, 2022
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7W4A
 | | Cryo-EM structure of the gastric proton pump complexed with revaprazan | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, ... | | Authors: | Abe, K, Tanaka, S, Morita, M, Yamagishi, T. | | Deposit date: | 2021-11-26 | | Release date: | 2022-03-02 | | Last modified: | 2022-07-20 | | Method: | ELECTRON MICROSCOPY (2.76 Å) | | Cite: | Structural Basis for Binding of Potassium-Competitive Acid Blockers to the Gastric Proton Pump.
J.Med.Chem., 65, 2022
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6L8A
 | | Tetrathionate hydrolase from Acidithiobacillus ferrooxidans | | Descriptor: | BETA-ALANINE, GLYCINE, SULFATE ION, ... | | Authors: | Tamada, T, Hirano, Y. | | Deposit date: | 2019-11-05 | | Release date: | 2020-11-11 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.95004809 Å) | | Cite: | Reaction mechanism of tetrathionate hydrolysis based on the crystal structure of tetrathionate hydrolase from Acidithiobacillus ferrooxidans.
Protein Sci., 30, 2020
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4Z7P
 | | X-ray structure of racemic ShK Q16K toxin | | Descriptor: | Potassium channel toxin kappa-stichotoxin-She1a, SULFATE ION | | Authors: | Sickmier, E.A. | | Deposit date: | 2015-04-07 | | Release date: | 2015-09-09 | | Last modified: | 2015-09-23 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Pharmaceutical Optimization of Peptide Toxins for Ion Channel Targets: Potent, Selective, and Long-Lived Antagonists of Kv1.3.
J.Med.Chem., 58, 2015
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7CME
 | | Crystal structure of human P-cadherin MEC12 (X dimer) in complex with 2-(5-chloro-2-methyl-1H-indol-3-yl)ethan-1-amine (inhibitor) | | Descriptor: | 2-(5-chloro-2-methyl-1H-indol-3-yl)ethan-1-amine, CALCIUM ION, Cadherin-3, ... | | Authors: | Senoo, A, Ito, S, Ueno, G, Nagatoishi, S, Tsumoto, K. | | Deposit date: | 2020-07-27 | | Release date: | 2021-09-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Regulation of cadherin dimerization by chemical fragments as a trigger to inhibit cell adhesion
Commun Biol, 4, 2021
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7CMF
 | | Crystal structure of human P-cadherin REC12 (monomer) in complex with 2-(5-chloro-2-methyl-1H-indol-3-yl)ethan-1-amine (inhibitor) | | Descriptor: | 2-(5-chloro-2-methyl-1H-indol-3-yl)ethan-1-amine, CALCIUM ION, Cadherin-3 | | Authors: | Senoo, A, Ito, S, Ueno, G, Nagatoishi, S, Tsumoto, K. | | Deposit date: | 2020-07-27 | | Release date: | 2021-09-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Regulation of cadherin dimerization by chemical fragments as a trigger to inhibit cell adhesion
Commun Biol, 4, 2021
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6LXB
 | | X-ray structure of human PPARalpha ligand binding domain-saroglitazar co-crystals obtained by soaking | | Descriptor: | (2S)-2-ethoxy-3-[4-[2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethoxy]phenyl]propanoic acid, Peroxisome proliferator-activated receptor alpha | | Authors: | Kamata, S, Honda, A, Ishikawa, R, Akahane, M, Oyama, T, Ishii, I. | | Deposit date: | 2020-02-10 | | Release date: | 2020-11-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
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6LXC
 | | X-ray structure of human PPARalpha ligand binding domain-saroglitazar co-crystals obtained by delipidation and cross-seeding | | Descriptor: | (2S)-2-ethoxy-3-[4-[2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethoxy]phenyl]propanoic acid, Peroxisome proliferator-activated receptor alpha | | Authors: | Kamata, S, Honda, A, Ishikawa, R, Akahane, M, Oyama, T, Ishii, I. | | Deposit date: | 2020-02-10 | | Release date: | 2020-11-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
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7COF
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7COG
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6HUR
 | | 2'-fucosyllactose and 3-fucosyllactose binding protein from Bifidobacterium longum infantis, bound with 2'-fucosyllactose | | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ABC transporter substrate-binding protein, ... | | Authors: | Ejby, M, Abou Hachem, M, Lo Leggio, L, Katayama, T, Sakanaka, M. | | Deposit date: | 2018-10-09 | | Release date: | 2019-09-04 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.297 Å) | | Cite: | Evolutionary adaptation in fucosyllactose uptake systems supports bifidobacteria-infant symbiosis.
Sci Adv, 5, 2019
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2DDQ
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7EVH
 | | Odinarchaeota tubulin H393D mutant, in a psuedo protofilament arrangement, bound to 59% GDP, 41% phosphate | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, PHOSPHATE ION, Tubulin-like protein | | Authors: | Robinson, R.C, Akil, C, Tran, L.T. | | Deposit date: | 2021-05-21 | | Release date: | 2022-03-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure and dynamics of Odinarchaeota tubulin and the implications for eukaryotic microtubule evolution.
Sci Adv, 8, 2022
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7EVI
 | | Odinarchaeota tubulin (OdinTubulin) H393D mutant, in a protofilament arrangement, bound to 79% GTP, 21% GDP, Na+, Mg2+ | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Robinson, R.C, Akil, C, Tran, L.T. | | Deposit date: | 2021-05-21 | | Release date: | 2022-03-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structure and dynamics of Odinarchaeota tubulin and the implications for eukaryotic microtubule evolution.
Sci Adv, 8, 2022
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7F1A
 | | Odinarchaeota tubulin (OdinTubulin) H393D mutant, in a protofilament arrangement, bound 78% GTP/22% GDP 1 K+, 1 Mg2+ | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Robinson, R.C, Akil, C, Tran, L.T. | | Deposit date: | 2021-06-08 | | Release date: | 2022-03-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure and dynamics of Odinarchaeota tubulin and the implications for eukaryotic microtubule evolution.
Sci Adv, 8, 2022
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7EVE
 | | Odinarchaeota tubulin (OdinTubulin) H393D mutant, in a protofilament arrangement, bound to 100% GDP and 2 Na+ | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, SODIUM ION, Tubulin-like protein | | Authors: | Robinson, R.C, Akil, C, Tran, L.T. | | Deposit date: | 2021-05-21 | | Release date: | 2022-03-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure and dynamics of Odinarchaeota tubulin and the implications for eukaryotic microtubule evolution.
Sci Adv, 8, 2022
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7EVC
 | | Odinarchaeota tubulin (OdinTubulin) H393D mutant, in a protofilament arrangement, bound to 60% GTP/40% GDP and 2 Na+ | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, SODIUM ION, ... | | Authors: | Robinson, R.C, Akil, C, Tran, L.T. | | Deposit date: | 2021-05-21 | | Release date: | 2022-03-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Structure and dynamics of Odinarchaeota tubulin and the implications for eukaryotic microtubule evolution.
Sci Adv, 8, 2022
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7EVL
 | | Odinarchaeota tubulin (OdinTubulin) H393D mutant, in a protofilament arrangement, bound to 64% GTP/36% GDP and 2 Na+ in a small unit cell | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, SODIUM ION, ... | | Authors: | Robinson, R.C, Akil, C, Tran, L.T. | | Deposit date: | 2021-05-21 | | Release date: | 2022-03-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structure and dynamics of Odinarchaeota tubulin and the implications for eukaryotic microtubule evolution.
Sci Adv, 8, 2022
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7EVG
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