4DTC
 
 | | Crystal Structure of DPP-IV with Compound C5 | | Descriptor: | Dipeptidyl peptidase 4, N-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butyl]-3'-(trifluoromethyl)biphenyl-4-carboxamide | | Authors: | Xiong, B, Zhu, L.R, Chen, D.Q, Zhao, Y.L, Jiang, F, Shen, J.K. | | Deposit date: | 2012-02-21 | | Release date: | 2013-02-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal Structure of DPP-IV with Compound C5
To be Published
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4DSA
 | | Crystal Structure of DPP-IV with Compound C1 | | Descriptor: | 4-[({[(2R)-2-amino-3-(2,4,5-trifluorophenyl)propyl]sulfamoyl}amino)methyl]benzenesulfonamide, Dipeptidyl peptidase 4 | | Authors: | Xiong, B, Zhu, L.R, Chen, D.Q, Zhao, Y.L, Jiang, F, Shen, J.K. | | Deposit date: | 2012-02-18 | | Release date: | 2013-02-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Crystal Structure of DPP-IV with Compound C1
To be Published
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4DSZ
 | | Crystal Structure of DPP-IV with Compound C2 | | Descriptor: | (2R)-4-[4-(3-methylphenyl)-1H-1,2,3-triazol-1-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine, Dipeptidyl peptidase 4 | | Authors: | Xiong, B, Zhu, L.R, Chen, D.Q, Zhao, Y.L, Jiang, F, Shen, J.K. | | Deposit date: | 2012-02-20 | | Release date: | 2013-02-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crystal Structure of DPP-IV with Compound C2
To be Published
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7CCD
 | | Sulfur binding domain of SprMcrA complexed with phosphorothioated DNA | | Descriptor: | DNA (5'-D(*CP*AP*CP*GP*TP*TP*CP*GP*CP*C)-3'), DNA (5'-D(*GP*GP*CP*GP*AS*AP*CP*GP*TP*G)-3'), HNHc domain-containing protein | | Authors: | Yu, H, Li, J, Liu, G, Zhao, G, Wang, Y, Hu, W, Deng, Z, Gan, J, Zhao, Y, He, X. | | Deposit date: | 2020-06-16 | | Release date: | 2020-07-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | DNA backbone interactions impact the sequence specificity of DNA sulfur-binding domains: revelations from structural analyses.
Nucleic Acids Res., 48, 2020
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6AEJ
 | | Crystal structure of human FTO in complex with small-molecule inhibitors | | Descriptor: | (E)-3-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-(1,3-oxazinan-3-ylcarbonyl)prop-2-enenitrile, Alpha-ketoglutarate-dependent dioxygenase FTO,Alpha-ketoglutarate-dependent dioxygenase FTO, ZINC ION | | Authors: | Wang, Y, Cao, R, Peng, S, Zhang, W, Huang, N. | | Deposit date: | 2018-08-05 | | Release date: | 2019-06-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Identification of entacapone as a chemical inhibitor of FTO mediating metabolic regulation through FOXO1.
Sci Transl Med, 11, 2019
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6AK4
 | | Crystal structure of human FTO in complex with small-molecule inhibitors | | Descriptor: | (~{E})-2-cyano-~{N},~{N}-diethyl-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enamide, Alpha-ketoglutarate-dependent dioxygenase FTO,Alpha-ketoglutarate-dependent dioxygenase FTO, ZINC ION | | Authors: | Wang, Y, Cao, R, Peng, S, Zhang, W, Huang, N. | | Deposit date: | 2018-08-30 | | Release date: | 2019-07-10 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Identification of entacapone as a chemical inhibitor of FTO mediating metabolic regulation through FOXO1.
Sci Transl Med, 11, 2019
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7CC9
 | | Sulfur binding domain of SprMcrA complexed with phosphorothioated DNA | | Descriptor: | ACETATE ION, DNA (5'-D(*GP*GP*CP*GP*GS*CP*CP*C)-3'), DNA (5'-D(*GP*GP*GP*CP*CP*GP*CP*C)-3'), ... | | Authors: | Yu, H, Zhao, G, Gan, J, Liu, G, Wu, G, He, X. | | Deposit date: | 2020-06-16 | | Release date: | 2020-07-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.063 Å) | | Cite: | DNA backbone interactions impact the sequence specificity of DNA sulfur-binding domains: revelations from structural analyses.
Nucleic Acids Res., 48, 2020
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7CCJ
 | | Sulfur binding domain of SprMcrA complexed with phosphorothioated DNA | | Descriptor: | DNA (5'-D(*GP*GP*AP*TP*CP*AP*TP*C)-3'), HNHc domain-containing protein | | Authors: | Yu, H, Zhao, G, Gan, J, Liu, G, Wu, G, He, X. | | Deposit date: | 2020-06-17 | | Release date: | 2020-07-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | DNA backbone interactions impact the sequence specificity of DNA sulfur-binding domains: revelations from structural analyses.
Nucleic Acids Res., 48, 2020
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4FQ5
 | | Crystal structure of the maleate isomerase Iso(C200A) from Pseudomonas putida S16 with maleate | | Descriptor: | MALEIC ACID, Maleate cis-trans isomerase | | Authors: | Lu, Y, Chen, D, Zhang, Z, Li, Q, Wu, G, Xu, P. | | Deposit date: | 2012-06-25 | | Release date: | 2013-07-24 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural and computational studies of the maleate isomerase from Pseudomonas putida S16 reveal a breathing motion wrapping the substrate inside.
Mol.Microbiol., 87, 2013
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4FQ7
 | | Crystal structure of the maleate isomerase Iso from Pseudomonas putida S16 | | Descriptor: | Maleate cis-trans isomerase | | Authors: | Lu, Y, Chen, D, Zhang, Z, Li, Q, Wu, G, Xu, P. | | Deposit date: | 2012-06-25 | | Release date: | 2013-07-24 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural and computational studies of the maleate isomerase from Pseudomonas putida S16 reveal a breathing motion wrapping the substrate inside.
Mol.Microbiol., 87, 2013
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4L08
 | | Crystal structure of the maleamate amidase Ami(C149A) in complex with maleate from Pseudomonas putida S16 | | Descriptor: | Hydrolase, isochorismatase family, MALEIC ACID | | Authors: | Chen, D.D, Lu, Y, Zhang, Z, Wu, G, Xu, P. | | Deposit date: | 2013-05-31 | | Release date: | 2014-07-16 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | Structural insights into the specific recognition of N-heterocycle biodenitrogenation-derived substrates by microbial amide hydrolases.
Mol.Microbiol., 91, 2014
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4L07
 | | Crystal structure of the maleamate amidase Ami from Pseudomonas putida S16 | | Descriptor: | GLYCEROL, Hydrolase, isochorismatase family, ... | | Authors: | Chen, D.D, Lu, Y, Zhang, Z, Wu, G, Xu, P. | | Deposit date: | 2013-05-30 | | Release date: | 2014-07-16 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural insights into the specific recognition of N-heterocycle biodenitrogenation-derived substrates by microbial amide hydrolases.
Mol.Microbiol., 91, 2014
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4L23
 | | Crystal Structure of p110alpha complexed with niSH2 of p85alpha and PI-103 | | Descriptor: | 3-(4-MORPHOLIN-4-YLPYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDIN-2-YL)PHENOL, GLYCEROL, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | | Authors: | Zhang, J, Zhao, Y.L, Chen, Y.Y, Huang, M, Jiang, F. | | Deposit date: | 2013-06-04 | | Release date: | 2014-01-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | Crystal Structures of PI3K alpha Complexed with PI103 and Its Derivatives: New Directions for Inhibitors Design.
ACS Med Chem Lett, 5, 2014
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4L2Y
 | | Crystal Structure of p110alpha complexed with niSH2 of p85alpha and compound 9d | | Descriptor: | 3-amino-5-[4-(morpholin-4-yl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]phenol, GLYCEROL, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | | Authors: | Zhang, J, Zhao, Y.L, Chen, Y.Y, Huang, M, Jiang, F. | | Deposit date: | 2013-06-05 | | Release date: | 2014-01-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structures of PI3K alpha Complexed with PI103 and Its Derivatives: New Directions for Inhibitors Design.
ACS Med Chem Lett, 5, 2014
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4L1B
 | | Crystal Structure of p110alpha complexed with niSH2 of p85alpha | | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, SULFATE ION | | Authors: | Zhang, J, Zhao, Y.L, Chen, Y.Y, Huang, M, Jiang, F. | | Deposit date: | 2013-06-03 | | Release date: | 2014-01-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.586 Å) | | Cite: | Crystal Structures of PI3K alpha Complexed with PI103 and Its Derivatives: New Directions for Inhibitors Design.
ACS Med Chem Lett, 5, 2014
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7BTM
 | | SDR protein/resistance protein NapW | | Descriptor: | Short chain dehydrogenase | | Authors: | Wen, W.H, Tang, G.L. | | Deposit date: | 2020-04-02 | | Release date: | 2021-10-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.08311653 Å) | | Cite: | Reductive inactivation of the hemiaminal pharmacophore for resistance against tetrahydroisoquinoline antibiotics.
Nat Commun, 12, 2021
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7BSX
 | | SDR protein NapW-NADP | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short chain dehydrogenase | | Authors: | Wen, W.H, Tang, G.L. | | Deposit date: | 2020-03-31 | | Release date: | 2021-10-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Reductive inactivation of the hemiaminal pharmacophore for resistance against tetrahydroisoquinoline antibiotics.
Nat Commun, 12, 2021
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5Z2X
 | | Structure of Alcohol dehydrogenase from Kluyveromyces polyspora(KpADH) | | Descriptor: | 1,2-ETHANEDIOL, Alcohol dehydrogenase, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Wang, Y, Zhou, J.Y, Hou, X.D, Xu, G.C, Wu, L, Rao, Y.J, ZHou, J.H, Ni, Y. | | Deposit date: | 2018-01-04 | | Release date: | 2019-01-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structural Insight into Enantioselective Inversion of an Alcohol Dehydrogenase Reveals a "Polar Gate" in Stereorecognition of Diaryl Ketones.
J. Am. Chem. Soc., 140, 2018
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5ZED
 | | Crystal structure of Kluyveromyces polyspora ADH (KpADH) mutant (E214V/T215S) | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Uncharacterized protein ADH | | Authors: | Wang, Y, Zhou, J.Y, Hou, X.D, Xu, G.C, Wu, L, Rao, Y.J, ZHou, J.H, Ni, Y. | | Deposit date: | 2018-02-27 | | Release date: | 2019-01-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.199 Å) | | Cite: | Structural Insight into Enantioselective Inversion of an Alcohol Dehydrogenase Reveals a "Polar Gate" in Stereorecognition of Diaryl Ketones.
J. Am. Chem. Soc., 140, 2018
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5ZEC
 | | Crystal structure of Kluyveromyces polyspora ADH (KpADH) mutant (Q136N/F161V/S196G/E214G/S237C) | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ETHANOL, ... | | Authors: | Wang, Y, ZHou, J.Y, Hou, X.D, Xu, G.C, Rao, Y.J, Wu, L, Zhou, J.H, Ni, Y. | | Deposit date: | 2018-02-27 | | Release date: | 2019-01-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.779 Å) | | Cite: | Structural Insight into Enantioselective Inversion of an Alcohol Dehydrogenase Reveals a "Polar Gate" in Stereorecognition of Diaryl Ketones.
J. Am. Chem. Soc., 140, 2018
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6A6J
 | | Crystal structure of Zebra fish Y-box protein1 (YB-1) Cold-shock domain in complex with 6mer m5C RNA | | Descriptor: | RNA (5'-R(P*CP*AP*UP*(5MC)P*U)-3'), ZINC ION, Zebra fish Y-box protein1 (YB-1) | | Authors: | Zhang, M.M, Wu, B.X, Huang, Y, Ma, J.B. | | Deposit date: | 2018-06-28 | | Release date: | 2019-06-19 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.255 Å) | | Cite: | RNA 5-Methylcytosine Facilitates the Maternal-to-Zygotic Transition by Preventing Maternal mRNA Decay.
Mol.Cell, 75, 2019
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6LCG
 | | Structure of D-carbamoylase mutant from Nitratireductor indicus | | Descriptor: | DI(HYDROXYETHYL)ETHER, N-carbamoyl-D-amino-acid hydrolase | | Authors: | Liu, Y.F, Ni, Y, Xu, G.C, Dai, W. | | Deposit date: | 2019-11-18 | | Release date: | 2020-10-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure-Guided Engineering of D-Carbamoylase Reveals a Key Loop at Substrate Entrance Tunnel
Acs Catalysis, 10, 2020
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6LEI
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6LED
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6LE2
 | | Structure of D-carbamoylase mutant from Nitratireductor indicus | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, N-carbamoyl-D-amino-acid hydrolase | | Authors: | Ni, Y, Liu, Y.F, Xu, G.C, Dai, W. | | Deposit date: | 2019-11-23 | | Release date: | 2020-10-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Structure-Guided Engineering of D-Carbamoylase Reveals a Key Loop at Substrate Entrance Tunnel
Acs Catalysis, 10, 2020
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