7CCI
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8JP1
| Crystal structure of AKR1C3 in complex with DFV | Descriptor: | 7-HYDROXY-2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Zheng, X.H, Liu, H, Yao, Z.Q, Zhang, L.P. | Deposit date: | 2023-06-10 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Inhibition of AKR1Cs by liquiritigenin and the structural basis. Chem.Biol.Interact., 385, 2023
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8JP2
| Crystal structure of AKR1C1 in complex with DFV | Descriptor: | 7-HYDROXY-2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Zheng, X.H, Liu, H, Yao, Z.Q, Zhang, L.P. | Deposit date: | 2023-06-10 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Inhibition of AKR1Cs by liquiritigenin and the structural basis. Chem.Biol.Interact., 385, 2023
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5XXH
| Crystal Structure Analysis of the CBP | Descriptor: | (3S)-1-[2-(3-ethanoylindol-1-yl)ethanoyl]piperidine-3-carboxylic acid, 1,2-ETHANEDIOL, CREB-binding protein, ... | Authors: | Xiang, Q, Zhang, Y, Wang, C, Song, M. | Deposit date: | 2017-07-04 | Release date: | 2018-06-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Discovery and optimization of 1-(1H-indol-1-yl)ethanone derivatives as CBP/EP300 bromodomain inhibitors for the treatment of castration-resistant prostate cancer. Eur J Med Chem, 147, 2018
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5ZNL
| Crystal structure of PDE10A catalytic domain complexed with LHB-6 | Descriptor: | MAGNESIUM ION, N-[2-(7-methoxy-4-morpholin-4-yl-quinazolin-6-yl)oxyethyl]-1,3-benzothiazol-2-amine, ZINC ION, ... | Authors: | Li, Z, Huang, Y, Zhan, C.G, Luo, H.B. | Deposit date: | 2018-04-09 | Release date: | 2019-02-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Absolute Binding Free Energy Calculation and Design of a Subnanomolar Inhibitor of Phosphodiesterase-10. J. Med. Chem., 62, 2019
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5ZI1
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6A7A
| AKR1C1 complexed with new inhibitor with novel scaffold | Descriptor: | (4R)-6-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Zheng, X, Zhao, Y, Zhang, H, Chen, Y. | Deposit date: | 2018-07-02 | Release date: | 2019-07-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Screening, synthesis, crystal structure, and molecular basis of 6-amino-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitriles as novel AKR1C3 inhibitors. Bioorg.Med.Chem., 26, 2018
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7X4E
| Structure of 10635-DndE | Descriptor: | DNA sulfur modification protein DndE, GLYCEROL | Authors: | Haiyan, G, Wei, H, Chen, S, Wang, L, Wu, G. | Deposit date: | 2022-03-02 | Release date: | 2022-04-20 | Last modified: | 2022-07-13 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Structural and Functional Analysis of DndE Involved in DNA Phosphorothioation in the Haloalkaliphilic Archaea Natronorubrum bangense JCM10635. Mbio, 13, 2022
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6A7B
| AKR1C3 complexed with new inhibitor with novel scaffold | Descriptor: | (4R)-6-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, Aldo-keto reductase family 1 member C3, DIMETHYLFORMAMIDE, ... | Authors: | Zheng, X, Zhao, Y, Zhang, H, Chen, Y. | Deposit date: | 2018-07-02 | Release date: | 2019-07-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Screening, synthesis, crystal structure, and molecular basis of 6-amino-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitriles as novel AKR1C3 inhibitors. Bioorg.Med.Chem., 26, 2018
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5OID
| Complex Trichoplax STIL-NTD:human CEP85 coiled coil domain 4 | Descriptor: | Centrosomal protein of 85 kDa, Putative uncharacterized protein | Authors: | van Breugel, M. | Deposit date: | 2017-07-18 | Release date: | 2018-04-18 | Last modified: | 2018-05-09 | Method: | X-RAY DIFFRACTION (4.6 Å) | Cite: | Direct binding of CEP85 to STIL ensures robust PLK4 activation and efficient centriole assembly. Nat Commun, 9, 2018
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5OI9
| Trichoplax adhaerens STIL N-terminal domain | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Putative uncharacterized protein | Authors: | van Breugel, M. | Deposit date: | 2017-07-18 | Release date: | 2018-04-18 | Last modified: | 2018-05-09 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Direct binding of CEP85 to STIL ensures robust PLK4 activation and efficient centriole assembly. Nat Commun, 9, 2018
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5OI7
| Human CEP85 - coiled coil domain 4 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Centrosomal protein of 85 kDa | Authors: | van Breugel, M. | Deposit date: | 2017-07-18 | Release date: | 2018-04-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Direct binding of CEP85 to STIL ensures robust PLK4 activation and efficient centriole assembly. Nat Commun, 9, 2018
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5E3T
| Crystal structure of phosphatidylinositol-4-phosphate 5-kinase | Descriptor: | MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Phosphatidylinositol-4-phosphate 5-kinase, ... | Authors: | Muftuoglu, Y. | Deposit date: | 2015-10-04 | Release date: | 2016-07-20 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Mechanism of substrate specificity of phosphatidylinositol phosphate kinases. Proc.Natl.Acad.Sci.USA, 113, 2016
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5E3S
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5E3U
| Crystal structure of phosphatidylinositol-4-phosphate 5-kinase | Descriptor: | MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Phosphatidylinositol-4-phosphate 5-kinase, ... | Authors: | Muftuoglu, Y. | Deposit date: | 2015-10-04 | Release date: | 2016-07-20 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Mechanism of substrate specificity of phosphatidylinositol phosphate kinases. Proc.Natl.Acad.Sci.USA, 113, 2016
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6M4W
| Crystal structure of MBP fused split FKBP-FRB T2098L mutant in complex with rapamycin | Descriptor: | GLYCEROL, Peptidyl-prolyl cis-trans isomerase FKBP1A, RAPAMYCIN IMMUNOSUPPRESSANT DRUG, ... | Authors: | Kikuchi, M, Wu, D, Inoue, T, Umehara, T. | Deposit date: | 2020-03-09 | Release date: | 2020-08-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | Rational design and implementation of a chemically inducible heterotrimerization system. Nat.Methods, 17, 2020
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8HM2
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6M4U
| Crystal structure of FKBP-FRB T2098L mutant in complex with rapamycin | Descriptor: | CHLORIDE ION, GLYCEROL, Peptidyl-prolyl cis-trans isomerase FKBP1A, ... | Authors: | Kikuchi, M, Wu, D, Inoue, T, Umehara, T. | Deposit date: | 2020-03-09 | Release date: | 2020-08-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Rational design and implementation of a chemically inducible heterotrimerization system. Nat.Methods, 17, 2020
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6M4V
| Crystal structure of MBP fused split FKBP in complex with rapamycin | Descriptor: | GLYCEROL, Peptidyl-prolyl cis-trans isomerase FKBP1A, RAPAMYCIN IMMUNOSUPPRESSANT DRUG, ... | Authors: | Kikuchi, M, Wu, D, Inoue, T, Umehara, T. | Deposit date: | 2020-03-09 | Release date: | 2020-08-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.92 Å) | Cite: | Rational design and implementation of a chemically inducible heterotrimerization system. Nat.Methods, 17, 2020
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8HM1
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8HM4
| Crystal structure of PPIase | Descriptor: | Peptidylprolyl isomerase | Authors: | Xu, J.H, Chen, Z, Gao, X. | Deposit date: | 2022-12-02 | Release date: | 2023-11-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.79 Å) | Cite: | Bacteroides fragilis ubiquitin homologue drives intraspecies bacterial competition in the gut microbiome. Nat Microbiol, 9, 2024
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8HM3
| Complex of PPIase-BfUbb | Descriptor: | GLYCEROL, MAGNESIUM ION, Peptidylprolyl isomerase, ... | Authors: | Xu, J.H, Chen, Z, Gao, X. | Deposit date: | 2022-12-02 | Release date: | 2023-11-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Bacteroides fragilis ubiquitin homologue drives intraspecies bacterial competition in the gut microbiome. Nat Microbiol, 9, 2024
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3GMR
| Structure of mouse CD1d in complex with C8Ph, different space group | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2 microglobulin, ... | Authors: | Schiefner, A, Wilson, I.A. | Deposit date: | 2009-03-14 | Release date: | 2009-11-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural evaluation of potent NKT cell agonists: implications for design of novel stimulatory ligands. J.Mol.Biol., 394, 2009
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3GMM
| Structure of mouse CD1d in complex with C8Ph | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2 microglobulin, ... | Authors: | Schiefner, A, Wilson, I.A. | Deposit date: | 2009-03-14 | Release date: | 2009-11-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural evaluation of potent NKT cell agonists: implications for design of novel stimulatory ligands. J.Mol.Biol., 394, 2009
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8IEC
| Cryo-EM structure of miniGo-scFv16 of GPR156-miniGo-scFv16 complex (local refine) | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(o) subunit alpha, ... | Authors: | Shin, J, Park, J, Cho, Y. | Deposit date: | 2023-02-15 | Release date: | 2024-02-14 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.18 Å) | Cite: | Constitutive activation mechanism of a class C GPCR. Nat.Struct.Mol.Biol., 31, 2024
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