5J7P
 
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7QTL
 | | Influenza A/H7N9 polymerase elongation complex | | Descriptor: | 3' vRNA, 5' vRNA, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine, ... | | Authors: | Cusack, S, Kouba, T. | | Deposit date: | 2022-01-14 | | Release date: | 2022-12-28 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.48 Å) | | Cite: | Direct observation of backtracking by influenza A and B polymerases upon consecutive incorporation of the nucleoside analog T1106.
Cell Rep, 42, 2023
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1DIB
 | | HUMAN METHYLENETETRAHYDROFOLATE DEHYDROGENASE / CYCLOHYDROLASE COMPLEXED WITH NADP AND INHIBITOR LY345899 | | Descriptor: | 4-(7-AMINO-9-HYDROXY-1-OXO-3,3A,4,5-TETRAHYDRO-2,5,6,8,9B-PENTAAZA-CYCLOPENTA[A]NAPHTHALEN-2-YL)-PHENYLCARBONYL-GLUTAMI C ACID, METHYLENETETRAHYDROFOLATE DEHYDROGENASE/CYCLOHYDROLASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Schmidt, A, Wu, H, MacKenzie, R.E, Chen, V.J, Bewly, J.R, Ray, J.E, Toth, J.E, Cygler, M. | | Deposit date: | 1999-11-29 | | Release date: | 2000-07-05 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structures of three inhibitor complexes provide insight into the reaction mechanism of the human methylenetetrahydrofolate dehydrogenase/cyclohydrolase.
Biochemistry, 39, 2000
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6OYG
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7CUO
 | | IclR transcription factor complexed with 4-hydroxybenzoic acid from Microbacterium hydrocarbonoxydans | | Descriptor: | P-HYDROXYBENZOIC ACID, SULFATE ION, Transcription factor | | Authors: | Akiyama, T, Ito, S, Sasaki, Y, Yajima, S. | | Deposit date: | 2020-08-23 | | Release date: | 2021-05-05 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis of the conformational changes in Microbacterium hydrocarbonoxydans IclR transcription factor homolog due to ligand binding.
Biochim Biophys Acta Proteins Proteom, 1869, 2021
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7XN2
 | | Crystal structure of CvkR, a novel MerR-type transcriptional regulator | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Alr3614 protein, DI(HYDROXYETHYL)ETHER | | Authors: | Liang, Y.J, Zhu, T, Ma, H.L, Lu, X.F, Hess, W.R. | | Deposit date: | 2022-04-27 | | Release date: | 2023-03-08 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | CvkR is a MerR-type transcriptional repressor of class 2 type V-K CRISPR-associated transposase systems.
Nat Commun, 14, 2023
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6OY8
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1DIG
 | | HUMAN METHYLENETETRAHYDROFOLATE DEHYDROGENASE / CYCLOHYDROLASE COMPLEXED WITH NADP AND INHIBITOR LY374571 | | Descriptor: | ACETATE ION, METHYLENETETRAHYDROFOLATE DEHYDROGENASE / CYCLOHYDROLASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Schmidt, A, Wu, H, MacKenzie, R.E, Chen, V.J, Bewly, J.R, Ray, J.E, Toth, J.E, Cygler, M. | | Deposit date: | 1999-11-29 | | Release date: | 2000-07-05 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structures of three inhibitor complexes provide insight into the reaction mechanism of the human methylenetetrahydrofolate dehydrogenase/cyclohydrolase.
Biochemistry, 39, 2000
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6ESN
 | | Ligand complex of RORg LBD | | Descriptor: | (2~{R})-2-acetamido-~{N}-[4-(5-cyano-3-fluoranyl-2-methoxy-phenyl)thiophen-2-yl]-2-(4-ethylsulfonylphenyl)ethanamide, LYS-HIS-LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN-ASP-SER, Nuclear receptor ROR-gamma, ... | | Authors: | Xue, Y, Aagaard, A, Narjes, F. | | Deposit date: | 2017-10-23 | | Release date: | 2018-08-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Potent and Orally Bioavailable Inverse Agonists of ROR gamma t Resulting from Structure-Based Design.
J. Med. Chem., 61, 2018
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1DGU
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1DIA
 | | HUMAN METHYLENETETRAHYDROFOLATE DEHYDROGENASE / CYCLOHYDROLASE COMPLEXED WITH NADP AND INHIBITOR LY249543 | | Descriptor: | METHYLENETETRAHYDROFOLATE DEHYDROGENASE/CYCLOHYDROLASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [[[2-AMINO-5,6,7,8-TETRAHYDRO-4-HYDROXY-PYRIDO[2,3-D]PYRIMIDIN-6-YL]-ETHYL]-PHENYL]-CARBONYL-GLUTAMIC ACID | | Authors: | Schmidt, A, Wu, H, MacKenzie, R.E, Chen, V.J, Bewly, J.R, Ray, J.E, Toth, J.E, Cygler, M. | | Deposit date: | 1999-11-29 | | Release date: | 2000-07-05 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structures of three inhibitor complexes provide insight into the reaction mechanism of the human methylenetetrahydrofolate dehydrogenase/cyclohydrolase.
Biochemistry, 39, 2000
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6LO9
 | | Crystal structure of RORgammat with ligand C46D bound | | Descriptor: | 6-cyclohexyloxy-9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide, Nuclear receptor ROR-gamma | | Authors: | Feng, Y, Shijie, C. | | Deposit date: | 2020-01-04 | | Release date: | 2021-01-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.86004949 Å) | | Cite: | Crystal structure of RORgammat with ligand C46D bound
To Be Published
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7C6Q
 | | Novel natural PPARalpha agonist with a unique binding mode | | Descriptor: | 13-methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium, LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN, Peroxisome proliferator-activated receptor alpha | | Authors: | Tian, S.Y, Wang, R, Zheng, W.L, Li, Y. | | Deposit date: | 2020-05-22 | | Release date: | 2021-05-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Structural Basis for PPARs Activation by The Dual PPAR alpha / gamma Agonist Sanguinarine: A Unique Mode of Ligand Recognition.
Molecules, 26, 2021
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1DG8
 | | DIHYDROFOLATE REDUCTASE OF MYCOBACTERIUM TUBERCULOSIS COMPLEXED WITH NADPH | | Descriptor: | DIHYDROFOLATE REDUCTASE, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Li, R, Sirawaraporn, R, Chitnumsub, P, Sirawaraporn, W, Wooden, J, Athappilly, F, Turley, S, Hol, W.G. | | Deposit date: | 1999-11-23 | | Release date: | 2000-03-09 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Three-dimensional structure of M. tuberculosis dihydrofolate reductase reveals opportunities for the design of novel tuberculosis drugs.
J.Mol.Biol., 295, 2000
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6LX4
 | | X-ray structure of human PPARalpha ligand binding domain-fenofibric acid co-crystals obtained by delipidation and co-crystallization | | Descriptor: | 2-[4-(4-chlorobenzene-1-carbonyl)phenoxy]-2-methylpropanoic acid, Peroxisome proliferator-activated receptor alpha | | Authors: | Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I. | | Deposit date: | 2020-02-10 | | Release date: | 2020-11-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
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1DMP
 | | STRUCTURE OF HIV-1 PROTEASE COMPLEX | | Descriptor: | HIV-1 PROTEASE, [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-1,3-BIS([(3-AMINO)PHENYL]METHYL)-4,7-BIS(PHENYLMETHYL)-2H-1,3-DIAZEPINONE | | Authors: | Chang, C.-H. | | Deposit date: | 1996-11-01 | | Release date: | 1997-11-12 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Improved cyclic urea inhibitors of the HIV-1 protease: synthesis, potency, resistance profile, human pharmacokinetics and X-ray crystal structure of DMP 450.
Chem.Biol., 3, 1996
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1DMZ
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1DG5
 | | DIHYDROFOLATE REDUCTASE OF MYCOBACTERIUM TUBERCULOSIS COMPLEXED WITH NADPH AND TRIMETHOPRIM | | Descriptor: | DIHYDROFOLATE REDUCTASE, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Li, R, Sirawaraporn, R, Chitnumsub, P, Sirawaraporn, W, Wooden, J, Athappilly, F, Turley, S, Hol, W.G. | | Deposit date: | 1999-11-23 | | Release date: | 2000-03-09 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Three-dimensional structure of M. tuberculosis dihydrofolate reductase reveals opportunities for the design of novel tuberculosis drugs.
J.Mol.Biol., 295, 2000
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6LX5
 | | X-ray structure of human PPARalpha ligand binding domain-ciprofibrate co-crystals obtained by delipidation and co-crystallization | | Descriptor: | 2-{4-[(1S)-2,2-dichlorocyclopropyl]phenoxy}-2-methylpropanoic acid, GLYCEROL, Peroxisome proliferator-activated receptor alpha | | Authors: | Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I. | | Deposit date: | 2020-02-10 | | Release date: | 2020-11-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
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6LX6
 | | X-ray structure of human PPARalpha ligand binding domain-palmitic acid co-crystals obtained by delipidation and cross-seeding | | Descriptor: | GLYCEROL, PALMITIC ACID, Peroxisome proliferator-activated receptor alpha | | Authors: | Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I. | | Deposit date: | 2020-02-10 | | Release date: | 2020-11-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
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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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6P3E
 | | Mobile loops and electrostatic interactions maintain the flexible lambda tail tube | | Descriptor: | Tail tube protein | | Authors: | Campbell, P, Duda, R.L, Nassur, J, Hendrix, R.W, Conway, J.F, Huet, A. | | Deposit date: | 2019-05-23 | | Release date: | 2019-11-27 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (5.4 Å) | | Cite: | Mobile Loops and Electrostatic Interactions Maintain the Flexible Tail Tube of Bacteriophage Lambda.
J.Mol.Biol., 432, 2020
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4Z1T
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3OOH
 | | Crystal structure of E. Coli purine nucleoside phosphorylase with PO4 | | Descriptor: | PHOSPHATE ION, Purine nucleoside phosphorylase deoD-type | | Authors: | Mikleusevic, G, Stefanic, Z, Narzyk, M, Wielgus-Kutrowska, B, Bzowska, A, Luic, M. | | Deposit date: | 2010-08-31 | | Release date: | 2011-07-13 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Validation of the catalytic mechanism of Escherichia coli purine nucleoside phosphorylase by structural and kinetic studies.
Biochimie, 93, 2011
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4Z15
 | | MIF in complex with 3-(2-furylmethyl)-2-thioxo-1,3-thiazolan-4-one | | Descriptor: | ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, SULFATE ION | | Authors: | Cho, T.Y. | | Deposit date: | 2015-03-26 | | Release date: | 2016-09-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural basis for decreased induction of class IB PI3-kinases expression by MIF inhibitors.
J. Cell. Mol. Med., 21, 2017
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