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
|
|
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
|
|
8J43
| Reductive aminase RA29-WT | Descriptor: | 1,2-ETHANEDIOL, Beta-hydroxyacid dehydrogenase, 3-hydroxyisobutyrate dehydrogenase, ... | Authors: | Zheng, X.Y, Xu, G.C, Ni, Y. | Deposit date: | 2023-04-19 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Dynamic kinetic reductive resolution of cyclic keto esters by newly identified stereo complementary reductive aminases. To Be Published
|
|
8J44
| Reductive Aminase RA34-WT | Descriptor: | 6-phosphogluconate dehydrogenase NAD-binding protein, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Zheng, X.Y, Xu, G.C, Ni, Y. | Deposit date: | 2023-04-19 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Dynamic kinetic reductive resolution of cyclic keto esters by newly identified stereo complementary reductive aminases. To Be Published
|
|
7RHS
| Cryo-EM structure of apo-state of human CNGA3/CNGB3 channel | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cyclic nucleotide-gated cation channel alpha-3, Cyclic nucleotide-gated cation channel beta-3, ... | Authors: | Zheng, X, Yang, J. | Deposit date: | 2021-07-18 | Release date: | 2022-03-02 | Method: | ELECTRON MICROSCOPY (2.93 Å) | Cite: | Structure of the human cone photoreceptor cyclic nucleotide-gated channel. Nat.Struct.Mol.Biol., 29, 2022
|
|
7N17
| Structure of TAX-4_R421W apo open state | Descriptor: | 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Cyclic nucleotide-gated cation channel | Authors: | Zheng, X, Li, H, Hu, Z, Su, D, Yang, J. | Deposit date: | 2021-05-27 | Release date: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural and functional characterization of an achromatopsia-associated mutation in a phototransduction channel. Commun Biol, 5, 2022
|
|
7N15
| Structure of TAX-4_R421W w/cGMP open state | Descriptor: | 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CYCLIC GUANOSINE MONOPHOSPHATE, ... | Authors: | Zheng, X, Li, H, Hu, Z, Su, D, Yang, J. | Deposit date: | 2021-05-27 | Release date: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural and functional characterization of an achromatopsia-associated mutation in a phototransduction channel. Commun Biol, 5, 2022
|
|
7N16
| Structure of TAX-4_R421W apo closed state | Descriptor: | 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Cyclic nucleotide-gated cation channel, SODIUM ION | Authors: | Zheng, X, Li, H, Hu, Z, Su, D, Yang, J. | Deposit date: | 2021-05-27 | Release date: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural and functional characterization of an achromatopsia-associated mutation in a phototransduction channel. Commun Biol, 5, 2022
|
|
2Z2D
| |
6ODB
| Crystal structure of HDAC8 in complex with compound 3 | Descriptor: | GLYCEROL, Histone deacetylase 8, N-{2-[(1E)-3-(hydroxyamino)-3-oxoprop-1-en-1-yl]phenyl}-2-phenoxybenzamide, ... | Authors: | Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C. | Deposit date: | 2019-03-26 | Release date: | 2020-04-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors To Be Published
|
|
6ODA
| Crystal structure of HDAC8 in complex with compound 2 | Descriptor: | Histone deacetylase 8, N-{2-[3-(hydroxyamino)-3-oxopropyl]phenyl}-3-(trifluoromethyl)benzamide, POTASSIUM ION, ... | Authors: | Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C. | Deposit date: | 2019-03-26 | Release date: | 2020-04-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors To Be Published
|
|
6ODC
| Crystal structure of HDAC8 in complex with compound 30 | Descriptor: | (2E)-3-[2-(3-cyclopentyl-5,5-dimethyl-2-oxoimidazolidin-1-yl)phenyl]-N-hydroxyprop-2-enamide, 1,2-ETHANEDIOL, Histone deacetylase 8, ... | Authors: | Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C. | Deposit date: | 2019-03-26 | Release date: | 2020-04-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors To Be Published
|
|
6WEJ
| Structure of cGMP-unbound WT TAX-4 reconstituted in lipid nanodiscs | Descriptor: | 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Cyclic nucleotide-gated cation channel, ... | Authors: | Zheng, X, Fu, Z, Su, D, Zhang, Y, Li, M, Pan, Y, Li, H, Li, S, Grassucci, R.A, Ren, Z, Hu, Z, Li, X, Zhou, M, Li, G, Frank, J, Yang, J. | Deposit date: | 2020-04-02 | Release date: | 2020-06-03 | Last modified: | 2020-07-22 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Mechanism of ligand activation of a eukaryotic cyclic nucleotide-gated channel. Nat.Struct.Mol.Biol., 27, 2020
|
|
6WEK
| Structure of cGMP-bound WT TAX-4 reconstituted in lipid nanodiscs | Descriptor: | 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CYCLIC GUANOSINE MONOPHOSPHATE, ... | Authors: | Zheng, X, Fu, Z, Su, D, Zhang, Y, Li, M, Pan, Y, Li, H, Li, S, Grassucci, R.A, Ren, Z, Hu, Z, Li, X, Zhou, M, Li, G, Frank, J, Yang, J. | Deposit date: | 2020-04-02 | Release date: | 2020-06-03 | Last modified: | 2020-07-22 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Mechanism of ligand activation of a eukaryotic cyclic nucleotide-gated channel. Nat.Struct.Mol.Biol., 27, 2020
|
|
6WEL
| Structure of cGMP-unbound F403V/V407A mutant TAX-4 reconstituted in lipid nanodiscs | Descriptor: | 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Cyclic nucleotide-gated cation channel, ... | Authors: | Zheng, X, Fu, Z, Su, D, Zhang, Y, Li, M, Pan, Y, Li, H, Li, S, Grassucci, R.A, Ren, Z, Hu, Z, Li, X, Zhou, M, Li, G, Frank, J, Yang, J. | Deposit date: | 2020-04-02 | Release date: | 2020-06-03 | Last modified: | 2020-07-22 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Mechanism of ligand activation of a eukaryotic cyclic nucleotide-gated channel. Nat.Struct.Mol.Biol., 27, 2020
|
|
2DDY
| Solution Structure of Matrilysin (MMP-7) Complexed to Constraint Conformational Sulfonamide Inhibitor | Descriptor: | (1R)-N,6-DIHYDROXY-7-METHOXY-2-[(4-METHOXYPHENYL)SULFONYL]-1,2,3,4-TETRAHYDROISOQUINOLINE-1-CARBOXAMIDE, CALCIUM ION, Matrilysin, ... | Authors: | Zheng, X.H, Ou, L. | Deposit date: | 2006-02-06 | Release date: | 2007-02-06 | Last modified: | 2022-03-09 | Method: | SOLUTION NMR | Cite: | Solution Structure of Matrilysin (MMP-7) Complexed to Constraint Conformational Sulfonamide Inhibitor to be published
|
|
8K20
| Cryo-EM structure of KEOPS complex from Arabidopsis thaliana | Descriptor: | At4g34412, At5g53043, FE (III) ION, ... | Authors: | Zheng, X.X, Zhu, L, Duan, L, Zhang, W.H. | Deposit date: | 2023-07-11 | Release date: | 2024-04-03 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Molecular basis of A. thaliana KEOPS complex in biosynthesizing tRNA t6A. Nucleic Acids Res., 2024
|
|
4KSE
| Crystal structure of a HIV p51 (219-230) deletion mutant | Descriptor: | 1,2-ETHANEDIOL, HIV p51 subunit | Authors: | Zheng, X, Mueller, G.A, Derose, E.F, Pedersen, L.C, Gabel, S.A, Cuneo, M.J, Krahn, J.M, London, R.E. | Deposit date: | 2013-05-17 | Release date: | 2014-08-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.677 Å) | Cite: | Selective unfolding of one Ribonuclease H domain of HIV reverse transcriptase is linked to homodimer formation. Nucleic Acids Res., 42, 2014
|
|
4JR5
| Structure-based Identification of Ureas as Novel Nicotinamide Phosphoribosyltransferase (Nampt) Inhibitors | Descriptor: | 1,2-ETHANEDIOL, 1-[4-(piperidin-1-ylsulfonyl)phenyl]-3-(pyridin-3-ylmethyl)thiourea, Nicotinamide phosphoribosyltransferase, ... | Authors: | Zheng, X, Bauer, P, Baumeister, T, Buckmelter, A.J, Caligiuri, M, Clodfelter, K.H, Han, B, Ho, Y, Kley, N, Lin, J, Reynolds, D.J, Sharma, G, Smith, C.C, Wang, Z, Dragovich, P.S, Oh, A, Wang, W, Zak, M, Gunzner-Toste, J, Zhao, G, Yuen, P, Bair, K.W. | Deposit date: | 2013-03-21 | Release date: | 2013-05-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.906 Å) | Cite: | Structure-based identification of ureas as novel nicotinamide phosphoribosyltransferase (nampt) inhibitors. J.Med.Chem., 56, 2013
|
|
4KFO
| Structure-Based Discovery of Novel Amide-Containing Nicotinamide Phosphoribosyltransferase (Nampt) Inhibitors | Descriptor: | 1,2-ETHANEDIOL, N-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}imidazo[1,2-a]pyridine-6-carboxamide, Nicotinamide phosphoribosyltransferase, ... | Authors: | Zheng, X, Bauer, P, Baumeister, T, Buckmelter, A.J, Caligiuri, M, Clodfelter, K.H, Han, B, Ho, Y, Kley, N, Lin, J, Reynolds, D.J, Sharma, G, Smith, C.C, Wang, Z, Dragovich, P.S, Gunzner-Tosteb, J, Liederer, B.M, Ly, J, O'Brien, T, Oh, A, Wang, L, Wang, W, Xiao, Y, Zak, M, Zhao, G, Yuen, P, Bair, K.W. | Deposit date: | 2013-04-27 | Release date: | 2013-05-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-based identification of ureas as novel nicotinamide phosphoribosyltransferase (nampt) inhibitors. J.Med.Chem., 56, 2013
|
|
3R2W
| |
6IG9
| |
3P2M
| Crystal Structure of a Novel Esterase Rv0045c from Mycobacterium tuberculosis | Descriptor: | POSSIBLE HYDROLASE | Authors: | Zheng, X.D, Guo, J, Xu, L, Li, H, Zhang, D, Zhang, K, Sun, F, Wen, T, Liu, S, Pang, H. | Deposit date: | 2010-10-03 | Release date: | 2011-07-06 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure of a Novel Esterase Rv0045c from Mycobacterium tuberculosis Plos One, 6, 2011
|
|
3V35
| Aldose reductase complexed with a nitro compound | Descriptor: | 2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl acetate, Aldose reductase, DIMETHYLFORMAMIDE, ... | Authors: | Zheng, X, Zhang, L, Chen, Y, Luo, H, Hu, X. | Deposit date: | 2011-12-13 | Release date: | 2012-08-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Partial inhibition of aldose reductase by nitazoxanide and its molecular basis. Chemmedchem, 7, 2012
|
|
3RX4
| Crystal Structure of Human Aldose Reductase complexed with Sulindac Sulfide | Descriptor: | 2-[(3Z)-6-fluoranyl-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]ethanoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Zheng, X, Chen, J, Luo, H, Hu, X. | Deposit date: | 2011-05-10 | Release date: | 2011-11-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The molecular basis for inhibition of sulindac and its metabolites towards human aldose reductase. Febs Lett., 586, 2012
|
|