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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4LTS
 | | Discovery of Potent and Efficacious Cyanoguanidine-containing Nicotinamide Phosphoribosyltransferase (Nampt) Inhibitors | | Descriptor: | 1,2-ETHANEDIOL, 2-cyano-1-pyridin-4-yl-3-(4-{[3-(trifluoromethoxy)phenyl]sulfonyl}benzyl)guanidine, Nicotinamide phosphoribosyltransferase, ... | | Authors: | Zheng, X, Baumeister, T, Buckmelter, A.J, Caligiuri, M, Clodfelter, K.H, Han, B, Ho, Y, Kley, N, Lin, J, Reynoids, D.J, Sharma, G, Smith, C.C, Wang, Z, Dragovich, P.S, Oh, A, Wang, W, Zak, M, Wang, L, Yuen, P, Bair, K.W. | | Deposit date: | 2013-07-23 | | Release date: | 2013-12-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.692 Å) | | Cite: | Discovery of potent and efficacious cyanoguanidine-containing nicotinamide phosphoribosyltransferase (Nampt) inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
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4LWW
 | | Discovery of Potent and Efficacious Cyanoguanidine-containing Nicotinamide Phosphoribosyltransferase (Nampt) Inhibitors | | Descriptor: | 1,2-ETHANEDIOL, N-(4-(phenylsulfonyl)benzyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ... | | Authors: | Zheng, X, Baumeister, T, Buckmelter, A.J, Caligiuri, M, Clodfelter, K.H, Han, B, Ho, Y, Kley, N, Lin, J, Reynoids, D.J, Sharma, G, Smith, C.C, Wang, Z, Dragovich, P.S, Oh, A, Wang, W, Zak, M, Wang, L, Yuen, P, Bair, K.W. | | Deposit date: | 2013-07-28 | | Release date: | 2013-12-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.641 Å) | | Cite: | Discovery of potent and efficacious cyanoguanidine-containing nicotinamide phosphoribosyltransferase (Nampt) inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
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6JIF
 | | Crystal Structures of Branched-Chain Aminotransferase from Pseudomonas sp. UW4 | | Descriptor: | Branched-chain-amino-acid aminotransferase, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Zheng, X, Guo, L, Li, D.F, Wu, B. | | Deposit date: | 2019-02-21 | | Release date: | 2020-01-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Biochemical and structural characterization of a highly active branched-chain amino acid aminotransferase from Pseudomonas sp. for efficient biosynthesis of chiral amino acids.
Appl.Microbiol.Biotechnol., 103, 2019
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7CGL
 | | Crystal Structure of PUF-8 in Complex with PBE-RNA | | Descriptor: | CHLORIDE ION, PBE-5C (5'-R(P*UP*GP*UP*AP*CP*AP*UP*A)-3'), PUM-HD domain-containing protein | | Authors: | Zheng, X, Yunyu, S, Shouhong, G. | | Deposit date: | 2020-07-01 | | Release date: | 2021-07-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural recognition of the mRNA 3' UTR by PUF-8 restricts the lifespan of C. elegans.
Nucleic Acids Res., 49, 2021
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7CGK
 | | Crystal Structure of PUF-8 in Complex with PBE-RNA | | Descriptor: | CHLORIDE ION, PBE-5A (5'-R(P*UP*GP*UP*AP*AP*AP*UP*A)-3'), PUM-HD domain-containing protein | | Authors: | Zheng, X, Yunyu, S, Shouhong, G. | | Deposit date: | 2020-07-01 | | Release date: | 2021-07-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural recognition of the mRNA 3' UTR by PUF-8 restricts the lifespan of C. elegans.
Nucleic Acids Res., 49, 2021
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7CGI
 | | Crystal Structure of PUF-8 in Complex with PBE-RNA | | Descriptor: | CHLORIDE ION, PBE-5U (5'-R(P*UP*GP*UP*AP*UP*AP*UP*A)-3'), PUM-HD domain-containing protein | | Authors: | Zheng, X, Yunyu, S, Shouhong, G. | | Deposit date: | 2020-07-01 | | Release date: | 2021-07-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.796 Å) | | Cite: | Structural recognition of the mRNA 3' UTR by PUF-8 restricts the lifespan of C. elegans.
Nucleic Acids Res., 49, 2021
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7CGF
 | | Crystal Structure of PUF-8 in Complex with PBE-RNA | | Descriptor: | CHLORIDE ION, PBE-5G (5'-R(P*UP*GP*UP*AP*GP*AP*UP*A)-3'), PUM-HD domain-containing protein | | Authors: | Zheng, X, Yunyu, S. | | Deposit date: | 2020-07-01 | | Release date: | 2021-07-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural recognition of the mRNA 3' UTR by PUF-8 restricts the lifespan of C. elegans.
Nucleic Acids Res., 49, 2021
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7CGM
 | | Crystal Structure of PUF-8 in Complex with PBE-RNA | | Descriptor: | CHLORIDE ION, PBE-5U (5'-R(P*UP*GP*UP*AP*UP*AP*UP*A)-3'), PUM-HD domain-containing protein | | Authors: | Zheng, X, Yunyu, S, Shouhong, G. | | Deposit date: | 2020-07-01 | | Release date: | 2021-07-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural recognition of the mRNA 3' UTR by PUF-8 restricts the lifespan of C. elegans.
Nucleic Acids Res., 49, 2021
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7CGG
 | | Crystal Structure of PUF-8 in Complex with PBE-RNA | | Descriptor: | CHLORIDE ION, PBE-5A (5'-R(P*UP*GP*UP*AP*AP*AP*UP*A)-3'), PUM-HD domain-containing protein | | Authors: | Zheng, X, Yunyu, S. | | Deposit date: | 2020-07-01 | | Release date: | 2021-07-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural recognition of the mRNA 3' UTR by PUF-8 restricts the lifespan of C. elegans.
Nucleic Acids Res., 49, 2021
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7CGH
 | | Crystal Structure of PUF-8 in Complex with PBE-RNA | | Descriptor: | CHLORIDE ION, PBE-5C (5'-R(P*UP*GP*UP*AP*CP*AP*UP*A)-3'), PUM-HD domain-containing protein | | Authors: | Zheng, X, Yunyu, S, Shouhong, G. | | Deposit date: | 2020-07-01 | | Release date: | 2021-07-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural recognition of the mRNA 3' UTR by PUF-8 restricts the lifespan of C. elegans.
Nucleic Acids Res., 49, 2021
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7CGJ
 | | Crystal Structure of PUF-8 in Complex with PBE-RNA | | Descriptor: | CHLORIDE ION, PBE-5G (5'-R(P*UP*GP*UP*AP*GP*AP*UP*A)-3'), PUM-HD domain-containing protein | | Authors: | Zheng, X, Yunyu, S, Shouhong, G. | | Deposit date: | 2020-07-01 | | Release date: | 2021-07-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.546 Å) | | Cite: | Structural recognition of the mRNA 3' UTR by PUF-8 restricts the lifespan of C. elegans.
Nucleic Acids Res., 49, 2021
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7ONS
 | | PARP1 catalytic domain in complex with isoquinolone-based inhibitor (compound 16) | | Descriptor: | 7-[[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]methyl]-3-ethyl-1~{H}-quinolin-2-one, Poly [ADP-ribose] polymerase 1, SULFATE ION | | Authors: | Schimpl, M, Balazs, A, Barratt, D, Bista, M, Chuba, M, Degorce, S.L, Di Fruscia, P, Embrey, K, Ghosh, A, Gill, S, Gunnarsson, A, Hande, S, Hemsley, P, Heightman, T.D, Illuzzi, G, Lane, J, Larner, C, Leo, E, Madin, A, Martin, S, McWilliams, L, Orme, J, Pachl, F, Packer, M, Pike, A, Staniszewska, A.D, Talbot, V, Underwood, E, Varnes, G.J, Zhang, A, Zheng, X, Johannes, J.W. | | Deposit date: | 2021-05-25 | | Release date: | 2021-09-15 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Discovery of 5-{4-[(7-Ethyl-6-oxo-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl}- N -methylpyridine-2-carboxamide (AZD5305): A PARP1-DNA Trapper with High Selectivity for PARP1 over PARP2 and Other PARPs.
J.Med.Chem., 64, 2021
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7ONT
 | | PARP1 catalytic domain in complex with a selective pyridine carboxamide-based inhibitor (compound 22) | | Descriptor: | 5-[4-[(3-ethyl-2-oxidanylidene-1~{H}-quinolin-7-yl)methyl]piperazin-1-yl]-~{N}-methyl-pyridine-2-carboxamide, Poly [ADP-ribose] polymerase 1, SULFATE ION | | Authors: | Schimpl, M, Balazs, A, Barratt, D, Bista, M, Chuba, M, Degorce, S.L, Di Fruscia, P, Embrey, K, Ghosh, A, Gill, S, Gunnarsson, A, Hande, S, Hemsley, P, Heightman, T.D, Illuzzi, G, Lane, J, Larner, C, Leo, E, Madin, A, Martin, S, McWilliams, L, Orme, J, Pachl, F, Packer, M.J, Pike, A, Staniszewska, A.D, Talbot, V, Underwood, E, Varnes, G.J, Zhang, A, Zheng, X, Johannes, J.W. | | Deposit date: | 2021-05-25 | | Release date: | 2021-09-15 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.853 Å) | | Cite: | Discovery of 5-{4-[(7-Ethyl-6-oxo-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl}- N -methylpyridine-2-carboxamide (AZD5305): A PARP1-DNA Trapper with High Selectivity for PARP1 over PARP2 and Other PARPs.
J.Med.Chem., 64, 2021
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7ONR
 | | PARP1 catalytic domain in complex with 8-chloroquinazolinone-based inhibitor (compound 9) | | Descriptor: | 8-chloranyl-2-[3-[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]propyl]-3~{H}-quinazolin-4-one, Poly [ADP-ribose] polymerase 1, SULFATE ION | | Authors: | Schimpl, M, Balazs, A, Barratt, D, Bista, M, Chuba, M, Degorce, S.L, Di Fruscia, P, Embrey, K, Ghosh, A, Gill, S, Gunnarsson, A, Hande, S, Hemsley, P, Illuzzi, G, Lane, J, Larner, C, Leo, E, Madin, A, Martin, S, McWilliams, L, Orme, J, Pachl, F, Packer, M, Pike, A, Staniszewska, A.D, Talbot, V, Underwood, E, Varnes, G.J, Zhang, A, Zheng, X, Johannes, J.W. | | Deposit date: | 2021-05-25 | | Release date: | 2021-09-15 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Discovery of 5-{4-[(7-Ethyl-6-oxo-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl}- N -methylpyridine-2-carboxamide (AZD5305): A PARP1-DNA Trapper with High Selectivity for PARP1 over PARP2 and Other PARPs.
J.Med.Chem., 64, 2021
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2EXX
 | | Crystal structure of HSCARG from Homo sapiens in complex with NADP | | Descriptor: | GLYCEROL, HSCARG protein, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Dai, X, Chen, Q, Yao, D, Liang, Y, Dong, Y, Gu, X, Zheng, X, Luo, M. | | Deposit date: | 2005-11-09 | | Release date: | 2006-11-21 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Restructuring of the dinucleotide-binding fold in an NADP(H) sensor protein.
Proc.Natl.Acad.Sci.USA, 104, 2007
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2XPK
 | | Cell-penetrant, nanomolar O-GlcNAcase inhibitors selective against lysosomal hexosaminidases | | Descriptor: | N-[(5R,6R,7R,8S)-6,7-DIHYDROXY-5-(HYDROXYMETHYL)-2-(2-PHENYLETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDIN-8-YL]-3-SULFANYLPROPANAMIDE, O-GLCNACASE NAGJ | | Authors: | Dorfmueller, H.C, Borodkin, V.S, Schimpl, M, Zheng, X, Kime, R, Read, K.D, van Aalten, D.M.F. | | Deposit date: | 2010-08-26 | | Release date: | 2011-03-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Cell-Penetrant, Nanomolar O-Glcnacase Inhibitors Selective Against Lysosomal Hexosaminidases.
Chem.Biol, 17, 2010
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1WWN
 | | NMR Solution Structure of BmK-betaIT, an Excitatory Scorpion Toxin from Buthus martensi Karsch | | Descriptor: | Excitatory insect selective toxin 1 | | Authors: | Wu, H, Tong, X, Chen, X, Zhang, Q, Zheng, X, Zhang, N, Wu, G. | | Deposit date: | 2005-01-10 | | Release date: | 2006-01-17 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | NMR solution structure of BmK-betaIT, an excitatory scorpion beta-toxin without a 'hot spot' at the relevant position
Biochem.Biophys.Res.Commun., 349, 2006
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1YFZ
 | | Novel IMP Binding in Feedback Inhibition of Hypoxanthine-Guanine Phosphoribosyltransferase from Thermoanaerobacter tengcongensis | | Descriptor: | ACETATE ION, Hypoxanthine-guanine phosphoribosyltransferase, INOSINIC ACID, ... | | Authors: | Chen, Q, Liang, Y, Su, X, Gu, X, Zheng, X, Luo, M. | | Deposit date: | 2005-01-04 | | Release date: | 2005-05-10 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Alternative IMP Binding in Feedback Inhibition of Hypoxanthine-Guanine Phosphoribosyltransferase from Thermoanaerobacter tengcongensis.
J.Mol.Biol., 348, 2005
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1ON3
 | | Transcarboxylase 12S crystal structure: hexamer assembly and substrate binding to a multienzyme core (with methylmalonyl-coenzyme a and methylmalonic acid bound) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CADMIUM ION, METHYLMALONIC ACID, ... | | Authors: | Hall, P.R, Wang, Y.-F, Rivera-Hainaj, R.E, Zheng, X, Pustai-Carey, M, Carey, P.R, Yee, V.C. | | Deposit date: | 2003-02-26 | | Release date: | 2003-05-20 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Transcarboxylase 12S crystal structure: hexamer assembly and substrate binding to a multienzyme core
Embo J., 22, 2003
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1ON9
 | | Transcarboxylase 12S crystal structure: hexamer assembly and substrate binding to a multienzyme core (with hydrolyzed methylmalonyl-coenzyme a bound) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CADMIUM ION, METHYLMALONYL-COENZYME A, ... | | Authors: | Hall, P.R, Wang, Y.-F, Rivera-Hainaj, R.E, Zheng, X, Pustai-Carey, M, Carey, P.R, Yee, V.C. | | Deposit date: | 2003-02-27 | | Release date: | 2003-05-20 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Transcarboxylase 12S crystal structure: hexamer assembly and substrate binding to a multienzyme core
Embo J., 22, 2003
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5JZV
 | | The structure of D77G hCINAP-ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase isoenzyme 6 | | Authors: | Liu, Y, Yang, Z, Yang, Y, Cai, X, Zheng, X. | | Deposit date: | 2016-05-17 | | Release date: | 2016-08-10 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | The ATPase hCINAP regulates 18S rRNA processing and is essential for embryogenesis and tumour growth.
Nat Commun, 7, 2016
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2OZV
 | | Crystal structure of a predicted O-methyltransferase, protein Atu636 from Agrobacterium tumefaciens. | | Descriptor: | Hypothetical protein Atu0636 | | Authors: | Cuff, M.E, Xu, X, Zheng, X, Edwards, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2007-02-27 | | Release date: | 2007-03-27 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The structure of a predicted O-methyltransferase, protein Atu636 from Agrobacterium tumefaciens.
TO BE PUBLISHED
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3DXF
 | | Crystal structure of the HSCARG R37A mutant | | Descriptor: | NmrA-like family domain-containing protein 1 | | Authors: | Li, Y, Meng, G, Dai, X, Luo, M, Zheng, X. | | Deposit date: | 2008-07-24 | | Release date: | 2009-05-12 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | NADPH is an allosteric regulator of HSCARG
J.Mol.Biol., 387, 2009
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3E5M
 | | Crystal structure of the HSCARG Y81A mutant | | Descriptor: | NmrA-like family domain-containing protein 1 | | Authors: | Li, Y, Meng, G, Dai, X, Luo, M, Zheng, X. | | Deposit date: | 2008-08-14 | | Release date: | 2009-05-12 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | NADPH is an allosteric regulator of HSCARG
J.Mol.Biol., 387, 2009
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