5XST
 
 | | novel orally efficacious inhibitors complexed with PARP1 | | Descriptor: | 6-fluoranyl-2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide, Poly [ADP-ribose] polymerase 1, SULFATE ION | | Authors: | Liu, Q, Xu, Y. | | Deposit date: | 2017-06-15 | | Release date: | 2018-04-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Design and synthesis of 2-(4,5,6,7-tetrahydrothienopyridin-2-yl)-benzoimidazole carboxamides as novel orally efficacious Poly(ADP-ribose)polymerase (PARP) inhibitors
Eur J Med Chem, 145, 2018
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6J9L
 | | FnoBH+AcrIIC2 | | Descriptor: | AcrIIC2, HNH endonuclease family protein | | Authors: | Zhu, Y.L, Gao, A, Serganov, A, Gao, P. | | Deposit date: | 2019-01-23 | | Release date: | 2019-03-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Diverse Mechanisms of CRISPR-Cas9 Inhibition by Type IIC Anti-CRISPR Proteins.
Mol. Cell, 74, 2019
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5XSR
 | | novel orally efficacious inhibitors complexed with PARP1 | | Descriptor: | 6-fluoranyl-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide, Poly [ADP-ribose] polymerase 1, SULFATE ION | | Authors: | Liu, Q, Xu, Y. | | Deposit date: | 2017-06-15 | | Release date: | 2018-04-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Design and synthesis of 2-(4,5,6,7-tetrahydrothienopyridin-2-yl)-benzoimidazole carboxamides as novel orally efficacious Poly(ADP-ribose)polymerase (PARP) inhibitors
Eur J Med Chem, 145, 2018
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6J9N
 | | NmeHNH+AcrIIC3 | | Descriptor: | AcrIIC3, CRISPR-associated endonuclease Cas9 | | Authors: | Zhu, Y.L, Gao, A, Serganov, A, Gao, P. | | Deposit date: | 2019-01-23 | | Release date: | 2019-03-06 | | Last modified: | 2022-03-23 | | Method: | X-RAY DIFFRACTION (2.606 Å) | | Cite: | Diverse Mechanisms of CRISPR-Cas9 Inhibition by Type IIC Anti-CRISPR Proteins.
Mol. Cell, 74, 2019
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7WSB
 | | The ternary complex structure of FtmOx1 with a-ketoglutarate and 13-oxo-fumitremorgin B | | Descriptor: | 13-Oxofumitremorgin B, 2-OXOGLUTARIC ACID, COBALT (II) ION, ... | | Authors: | Wang, J, Wang, X.Y, Wang, Y.Y, Yan, W.P. | | Deposit date: | 2022-01-28 | | Release date: | 2022-07-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.87 Å) | | Cite: | Dissecting the Mechanism of the Nonheme Iron Endoperoxidase FtmOx1 Using Substrate Analogues.
Jacs Au, 2, 2022
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5GW8
 | | Crystal structure of a putative DAG-like lipase (MgMDL2) from Malassezia globosa | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, ... | | Authors: | Xu, J, Xu, H, Liu, J. | | Deposit date: | 2016-09-09 | | Release date: | 2017-09-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Malassezia globosa MgMDL2 lipase: Crystal structure and rational modification of substrate specificity.
Biochem. Biophys. Res. Commun., 488, 2017
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8JV7
 | | Cryo-EM structure of the panda P2X7 receptor in complex with PPADS | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(E)-[4-methanoyl-6-methyl-5-oxidanyl-3-(phosphonooxymethyl)pyridin-2-yl]diazenyl]benzene-1,3-disulfonic acid, P2X purinoceptor | | Authors: | Sheng, D, Hattori, M. | | Deposit date: | 2023-06-27 | | Release date: | 2023-11-29 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structural insights into the orthosteric inhibition of P2X receptors by non-ATP analog antagonists.
Elife, 12, 2024
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8JV8
 | | Cryo-EM structure of the panda P2X7 receptor in complex with PPNDS | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]-7-nitronaphthalene-1,5-disulfonic acid, P2X purinoceptor | | Authors: | Sheng, D, Hattori, M. | | Deposit date: | 2023-06-27 | | Release date: | 2023-11-29 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.34 Å) | | Cite: | Structural insights into the orthosteric inhibition of P2X receptors by non-ATP analog antagonists.
Elife, 12, 2024
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3UUF
 | | Crystal structure of mono- and diacylglycerol lipase from Malassezia globosa | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LIP1, secretory lipase (Family 3), ... | | Authors: | Xu, T, Xu, J, Hou, S, Liu, J. | | Deposit date: | 2011-11-28 | | Release date: | 2012-04-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of a mono- and diacylglycerol lipase from Malassezia globosa reveals a novel lid conformation and insights into the substrate specificity.
J.Struct.Biol., 178, 2012
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3UUE
 | | Crystal structure of mono- and diacylglycerol lipase from Malassezia globosa | | Descriptor: | CHLORIDE ION, GLYCEROL, LIP1, ... | | Authors: | Xu, T, Xu, J, Hou, S, Liu, J. | | Deposit date: | 2011-11-28 | | Release date: | 2012-04-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Crystal structure of a mono- and diacylglycerol lipase from Malassezia globosa reveals a novel lid conformation and insights into the substrate specificity.
J.Struct.Biol., 178, 2012
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5X04
 | | 12:0-ACP thioesterase from Umbellularia californica | | Descriptor: | Dodecanoyl-[acyl-carrier-protein] hydrolase, chloroplastic | | Authors: | Xue, S, Feng, Y. | | Deposit date: | 2017-01-19 | | Release date: | 2017-10-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Structural Insight into Acyl-ACP Thioesterase toward Substrate Specificity Design.
ACS Chem. Biol., 12, 2017
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6LR7
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2LK3
 | | U2/U6 Helix I | | Descriptor: | RNA (5'-R(*GP*GP*CP*UP*UP*AP*GP*AP*UP*CP*AP*GP*AP*AP*AP*UP*GP*AP*UP*CP*AP*GP*CP*C)-3') | | Authors: | Burke, J.E, Sashital, D.G, Zuo, X.E, Wang, Y, Butcher, S.E. | | Deposit date: | 2011-10-03 | | Release date: | 2012-02-22 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structure of the yeast U2/U6 snRNA complex.
Rna, 18, 2012
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2LKR
 | | Yeast U2/U6 complex | | Descriptor: | RNA (111-MER) | | Authors: | Burke, J.E, Sashital, D.G, Zuo, X, Wang, Y, Butcher, S.E. | | Deposit date: | 2011-10-19 | | Release date: | 2012-02-22 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structure of the yeast U2/U6 snRNA complex.
Rna, 18, 2012
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6KEY
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6KPC
 | | Crystal structure of an agonist bound GPCR | | Descriptor: | 7-[(6aR,9R,10aR)-1-Hydroxy-9-(hydroxymethyl)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-3-yl]- 7-methyloctanenitrile, Cannabinoid receptor 2,Endolysin | | Authors: | Li, X.T, Hua, T, Wu, L.J, Makriyannis, A, Wu, M, Liu, Z.J. | | Deposit date: | 2019-08-15 | | Release date: | 2020-02-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Activation and Signaling Mechanism Revealed by Cannabinoid Receptor-GiComplex Structures.
Cell, 180, 2020
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4OVH
 | | E. coli sliding clamp in complex with (R)-6-bromo-9-(2-(carboxymethylamino)-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid | | Descriptor: | (2R)-6-bromo-9-{2-[(carboxymethyl)amino]-2-oxoethyl}-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Yin, Z, Oakley, A.J. | | Deposit date: | 2014-02-21 | | Release date: | 2014-03-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Bacterial Sliding Clamp Inhibitors that Mimic the Sequential Binding Mechanism of Endogenous Linear Motifs.
J.Med.Chem., 58, 2015
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5XRG
 | | Galectin-10/Charcot-Leyden crystal protein crystal structure | | Descriptor: | GLYCEROL, Galectin-10 | | Authors: | Su, J. | | Deposit date: | 2017-06-08 | | Release date: | 2018-01-24 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Galectin-10: a new structural type of prototype galectin dimer and effects on saccharide ligand binding.
Glycobiology, 28, 2018
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5XRK
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5XN3
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6L5M
 | | Crystal structure of human DEAD-box RNA helicase DDX21 in complex with AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, Nucleolar RNA helicase 2 | | Authors: | Chen, Z.J, Hu, X.J, Zhou, Z, Li, J.X. | | Deposit date: | 2019-10-24 | | Release date: | 2020-06-17 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural Basis of Human Helicase DDX21 in RNA Binding, Unwinding, and Antiviral Signal Activation.
Adv Sci, 7, 2020
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4HIQ
 | | The Structure of V122I Mutant Transthyretin in Complex with AG10 | | Descriptor: | 3-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propoxy]-4-fluorobenzoic acid, Transthyretin | | Authors: | Connelly, S, Alhamadsheh, M, Graef, I, Wilson, I.A. | | Deposit date: | 2012-10-11 | | Release date: | 2013-06-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | AG10 inhibits amyloidogenesis and cellular toxicity of the familial amyloid cardiomyopathy-associated V122I transthyretin.
Proc.Natl.Acad.Sci.USA, 110, 2013
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5XRP
 | | Galectin-10/Charcot-Leyden crystal protein variant Q75A | | Descriptor: | GLYCEROL, Galectin-10 | | Authors: | Su, J. | | Deposit date: | 2017-06-08 | | Release date: | 2018-01-24 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | Galectin-10: a new structural type of prototype galectin dimer and effects on saccharide ligand binding.
Glycobiology, 28, 2018
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4HIS
 | | The Structure of V122I Mutant Transthyretin in Complex with Tafamidis | | Descriptor: | 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid, Transthyretin | | Authors: | Connelly, S, Alhamadsheh, M, Graef, I, Wilson, I.A. | | Deposit date: | 2012-10-11 | | Release date: | 2013-06-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | AG10 inhibits amyloidogenesis and cellular toxicity of the familial amyloid cardiomyopathy-associated V122I transthyretin.
Proc.Natl.Acad.Sci.USA, 110, 2013
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5XRO
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