5H99
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5H9I
| Crystal structure of Geobacter metallireducens SMUG1 with xanthine | Descriptor: | BETA-MERCAPTOETHANOL, GLYCEROL, Geobacter metallireducens SMUG1, ... | Authors: | Xie, W, Cao, W, Zhang, Z, Shen, J. | Deposit date: | 2015-12-28 | Release date: | 2016-04-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.501 Å) | Cite: | Structural Basis of Substrate Specificity in Geobacter metallireducens SMUG1 Acs Chem.Biol., 11, 2016
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4JCM
| Crystal structure of Gamma-CGTASE from Alkalophilic bacillus clarkii at 1.65 Angstrom resolution | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Wu, L, Yang, D, Zhou, J, Wu, J, Chen, J. | Deposit date: | 2013-02-22 | Release date: | 2014-02-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | The Crystal Structure of Gamma-Cgtase from Alkalophilic Bacillus Clarkii at 1.65 Angstrom Resolution. To be Published
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5H93
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5H98
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3FLI
| Discovery of XL335, a Highly Potent, Selective and Orally-Active Agonist of the Farnesoid X Receptor (FXR) | Descriptor: | 1-methylethyl 3-[(3,4-difluorophenyl)carbonyl]-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate, Bile acid receptor | Authors: | Foster, P.G, Stout, T.J. | Deposit date: | 2008-12-18 | Release date: | 2009-12-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of XL335 (WAY-362450), a highly potent, selective, and orally active agonist of the farnesoid X receptor (FXR). J.Med.Chem., 52, 2009
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4XLY
| The complex structure of KS-D75C with substrate CPP | Descriptor: | (2E)-3-methyl-5-[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate, Uncharacterized protein blr2150 | Authors: | Hu, Y, Zheng, Y, Ko, T.P, Liu, W, Guo, R.T. | Deposit date: | 2015-01-14 | Release date: | 2015-02-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Structure, function and inhibition of ent-kaurene synthase from Bradyrhizobium japonicum. Sci Rep, 4, 2014
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5X74
| The crystal Structure PDE delta in complex with compound (R, R)-1g | Descriptor: | (2R)-2-(2-fluorophenyl)-3-[2-[4-[(2R)-2-(2-fluorophenyl)-4-oxidanylidene-1,2-dihydroquinazolin-3-yl]piperidin-1-yl]ethyl]-1,2-dihydroquinazolin-4-one, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | Authors: | Jiang, Y, Zhuang, C, Chen, L, Wang, R, Wang, F, Sheng, C. | Deposit date: | 2017-02-23 | Release date: | 2017-10-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural Biology-Inspired Discovery of Novel KRAS-PDE delta Inhibitors J. Med. Chem., 60, 2017
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5X73
| The crystal Structure PDE delta in complex with R-p9 | Descriptor: | (2R)-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | Authors: | Jiang, Y, Zhuang, C, Chen, L, Wang, R, Wang, F, Sheng, C. | Deposit date: | 2017-02-23 | Release date: | 2017-10-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Biology-Inspired Discovery of Novel KRAS-PDE delta Inhibitors J. Med. Chem., 60, 2017
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4XLX
| Crystal structure of BjKS from Bradyrhizobium japonicum | Descriptor: | Uncharacterized protein blr2150 | Authors: | Hu, Y, Zheng, Y, Ko, T.P, Liu, W, Guo, R.T. | Deposit date: | 2015-01-14 | Release date: | 2015-02-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure, function and inhibition of ent-kaurene synthase from Bradyrhizobium japonicum. Sci Rep, 4, 2014
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6AEX
| Crystal structure of unoccupied murine uPAR | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Urokinase plasminogen activator surface receptor | Authors: | Min, L, Huang, M. | Deposit date: | 2018-08-06 | Release date: | 2019-07-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.393 Å) | Cite: | Crystal structure of the unoccupied murine urokinase-type plasminogen activator receptor (uPAR) reveals a tightly packed DII-DIII unit. Febs Lett., 593, 2019
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5X72
| The crystal Structure PDE delta in complex with (rac)-p9 | Descriptor: | (2R)-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one, (2S)-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | Authors: | Jiang, Y, Zhuang, C, Chen, L, Wang, R, Wang, F, Sheng, C. | Deposit date: | 2017-02-23 | Release date: | 2017-10-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural Biology-Inspired Discovery of Novel KRAS-PDE delta Inhibitors J. Med. Chem., 60, 2017
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7EJV
| The co-crystal structure of DYRK2 with YK-2-69 | Descriptor: | Dual specificity tyrosine-phosphorylation-regulated kinase 2, [6-[[4-[2-(dimethylamino)-1,3-benzothiazol-6-yl]-5-fluoranyl-pyrimidin-2-yl]amino]pyridin-3-yl]-(4-ethylpiperazin-1-yl)methanone | Authors: | Li, Z, Xiao, Y, Yuan, K, Kuang, W, Xiuquan, Y, Yang, P. | Deposit date: | 2021-04-02 | Release date: | 2022-04-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Targeting dual-specificity tyrosine phosphorylation-regulated kinase 2 with a highly selective inhibitor for the treatment of prostate cancer. Nat Commun, 13, 2022
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7WN1
| Structure of PfNT1(Y190A) in complex with nanobody 48 and inosine | Descriptor: | Equilibrative nucleoside/nucleobase transporter, INOSINE, nanobody48 | Authors: | Wang, C, Deng, D, Ren, R.B, Yu, L.Y. | Deposit date: | 2022-01-17 | Release date: | 2023-02-01 | Last modified: | 2023-08-16 | Method: | ELECTRON MICROSCOPY (3.11 Å) | Cite: | Structural basis of the substrate recognition and inhibition mechanism of Plasmodium falciparum nucleoside transporter PfENT1. Nat Commun, 14, 2023
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4H1J
| Crystal structure of PYK2 with the pyrazole 13a | Descriptor: | 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[3-(4-methoxy-2-methylphenyl)-1H-pyrazol-5-yl]urea, Protein-tyrosine kinase 2-beta | Authors: | Han, S. | Deposit date: | 2012-09-10 | Release date: | 2012-11-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification of novel series of pyrazole and indole-urea based DFG-out PYK2 inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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5GT5
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5YFG
| SOLUTION STRUCTURE OF HUMAN MOG1 | Descriptor: | Ran guanine nucleotide release factor | Authors: | Hu, Q, Liu, Y, Bao, X, Liu, H. | Deposit date: | 2017-09-21 | Release date: | 2017-11-01 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Mitosis-specific acetylation tunes Ran effector binding for chromosome segregation J Mol Cell Biol, 10, 2018
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5H0K
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5H0J
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7WN0
| Structure of PfENT1(Y190A) in complex with nanobody 19 | Descriptor: | Equilibrative nucleoside/nucleobase transporter, nanobody19 | Authors: | Wang, C, Deng, D, Ren, R.B, Yu, L.Y. | Deposit date: | 2022-01-17 | Release date: | 2023-02-01 | Last modified: | 2023-08-16 | Method: | ELECTRON MICROSCOPY (3.64 Å) | Cite: | Structural basis of the substrate recognition and inhibition mechanism of Plasmodium falciparum nucleoside transporter PfENT1. Nat Commun, 14, 2023
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4H1M
| Crystal structure of PYK2 with the indole 10c | Descriptor: | 7-({[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]carbamoyl}amino)-N-(propan-2-yl)-1H-indole-2-carboxamide, Protein-tyrosine kinase 2-beta | Authors: | Han, S. | Deposit date: | 2012-09-10 | Release date: | 2012-11-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Identification of novel series of pyrazole and indole-urea based DFG-out PYK2 inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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5HJJ
| Crystal Structure of Pyrococcus abyssi Trm5a | Descriptor: | tRNA (guanine(37)-N1)-methyltransferase Trm5a | Authors: | Xie, W, Wang, C, Jia, Q. | Deposit date: | 2016-01-13 | Release date: | 2016-10-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of the bifunctional tRNA methyltransferase Trm5a Sci Rep, 6, 2016
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4I9Z
| Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | Descriptor: | 5-bromo-2-{5-[(4-methylpiperazin-1-yl)acetyl]-2-propoxyphenyl}-6-(propan-2-yl)pyrimidin-4(3H)-one, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | Authors: | Ren, J, Chen, T, Xu, Y. | Deposit date: | 2012-12-05 | Release date: | 2014-01-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Exploration of the 5-bromopyrimidin-4(3H)-ones as potent inhibitors of PDE5. Bioorg.Med.Chem.Lett., 23, 2013
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8IP4
| Cryo-EM structure of hMRS-highEDTA | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Magnesium transporter MRS2 homolog, ... | Authors: | Li, M, Li, Y, Yang, X, Shen, Y.Q. | Deposit date: | 2023-03-14 | Release date: | 2023-06-14 | Last modified: | 2023-08-30 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Molecular basis of Mg 2+ permeation through the human mitochondrial Mrs2 channel. Nat Commun, 14, 2023
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8IP5
| Cryo-EM structure of hMRS2-lowEDTA | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Magnesium transporter MRS2 homolog, ... | Authors: | Li, M, Li, Y, Yang, X, Shen, Y.Q. | Deposit date: | 2023-03-14 | Release date: | 2023-06-14 | Last modified: | 2023-08-30 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Molecular basis of Mg 2+ permeation through the human mitochondrial Mrs2 channel. Nat Commun, 14, 2023
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