7V6G
 
 | | Structure of Candida albicans Fructose-1,6-bisphosphate aldolase mutation C157S with CN39 | | 分子名称: | 1,2-ETHANEDIOL, Fructose-bisphosphate aldolase, ZINC ION, ... | | 著者 | Cao, H, Huang, Y, Chen, H, Wan, C, Ren, Y, Wan, J. | | 登録日 | 2021-08-20 | | 公開日 | 2022-02-23 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.343 Å) | | 主引用文献 | Structure-Guided Discovery of the Novel Covalent Allosteric Site and Covalent Inhibitors of Fructose-1,6-Bisphosphate Aldolase to Overcome the Azole Resistance of Candidiasis.
J.Med.Chem., 65, 2022
|
|
8DZL
 | | Structure of the K39Q mutant of rat somatic Cytochrome c at 1.36A | | 分子名称: | Cytochrome c, somatic, HEME C | | 著者 | Edwards, B.F.P, Huettemann, M, Vaishnav, A, Brunzelle, J, Morse, P, Wan, J. | | 登録日 | 2022-08-08 | | 公開日 | 2023-07-19 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | | 主引用文献 | Cytochrome c lysine acetylation regulates cellular respiration and cell death in ischemic skeletal muscle.
Nat Commun, 14, 2023
|
|
7V6F
 | | Structure of Candida albicans Fructose-1,6-bisphosphate aldolase complexed with G3P | | 分子名称: | Fructose-bisphosphate aldolase, GLYCERALDEHYDE-3-PHOSPHATE, ZINC ION | | 著者 | Hongxuan, C, Huang, Y, Han, C, Chen, W, Ren, Y, Wan, J. | | 登録日 | 2021-08-20 | | 公開日 | 2022-02-23 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.98 Å) | | 主引用文献 | Structure-Guided Discovery of the Novel Covalent Allosteric Site and Covalent Inhibitors of Fructose-1,6-Bisphosphate Aldolase to Overcome the Azole Resistance of Candidiasis.
J.Med.Chem., 65, 2022
|
|
7XZG
 | | High resolution crystal Structure of Glyceraldehyde-3-Phosphate Dehydrogenase from Candida albicans complexed with NAD+ | | 分子名称: | 1,2-ETHANEDIOL, Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Cao, H, Meng, J, Ren, Y, Wan, J. | | 登録日 | 2022-06-02 | | 公開日 | 2023-06-07 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.879 Å) | | 主引用文献 | High resolution crystal Structure of Glyceraldehyde-3-Phosphate Dehydrogenase from Candida albicans complexed with NAD+
To Be Published
|
|
7WJV
 | | Crystal structure of human liver FBPase complexed with an covalent inhibitor | | 分子名称: | 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE, ADENOSINE MONOPHOSPHATE, Fructose-1,6-bisphosphatase 1, ... | | 著者 | Cao, H, Huang, Y, Ren, Y, Wan, J. | | 登録日 | 2022-01-08 | | 公開日 | 2022-07-13 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.724 Å) | | 主引用文献 | N -Acylamino Saccharin as an Emerging Cysteine-Directed Covalent Warhead and Its Application in the Identification of Novel FBPase Inhibitors toward Glucose Reduction.
J.Med.Chem., 65, 2022
|
|
8DVX
 | | Structure of acetylated Pig somatic Cytochrome c (Aly39) at 1.5A | | 分子名称: | Cytochrome c, HEME C, HEXACYANOFERRATE(3-) | | 著者 | Edwards, B.F.P, Huettemann, M, Vaishnav, A, Brunzelle, J, Morse, P, Wan, J. | | 登録日 | 2022-07-30 | | 公開日 | 2023-07-19 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Cytochrome c lysine acetylation regulates cellular respiration and cell death in ischemic skeletal muscle.
Nat Commun, 14, 2023
|
|
6LNK
 | | Candida albicans Fructose-1,6-bisphosphate aldolase | | 分子名称: | 1,2-ETHANEDIOL, Fructose-bisphosphate aldolase, ZINC ION | | 著者 | Huang, Y, Cao, H, Ren, Y, Wan, J. | | 登録日 | 2019-12-30 | | 公開日 | 2020-12-30 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.639 Å) | | 主引用文献 | Structure-Guided Discovery of the Novel Covalent Allosteric Site and Covalent Inhibitors of Fructose-1,6-Bisphosphate Aldolase to Overcome the Azole Resistance of Candidiasis.
J.Med.Chem., 65, 2022
|
|
7YVA
 | | Crystal structure of Candida albicans Fructose-1,6-bisphosphate aldolase complexed with lipoic acid | | 分子名称: | 1,2-ETHANEDIOL, Candida albicans Fructose-1,6-bisphosphate aldolase, LIPOIC ACID, ... | | 著者 | Cao, H, Huang, Y, Ren, Y, Wan, J. | | 登録日 | 2022-08-19 | | 公開日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.93 Å) | | 主引用文献 | Crystal structure of Candida albicans Fructose-1,6-bisphosphate aldolase complexed with lipoic acid
To Be Published
|
|
5Y1Z
 | | Crystal structure of ZMYND8 PHD-BROMO-PWWP tandem in complex with Drebrin ADF-H domain | | 分子名称: | Drebrin, GLYCEROL, Protein kinase C-binding protein 1, ... | | 著者 | Yao, N, Li, J, Liu, H, Wan, J, Liu, W, Zhang, M. | | 登録日 | 2017-07-22 | | 公開日 | 2017-10-25 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.676 Å) | | 主引用文献 | The Structure of the ZMYND8/Drebrin Complex Suggests a Cytoplasmic Sequestering Mechanism of ZMYND8 by Drebrin
Structure, 25, 2017
|
|
5ZRX
 | | Crystal Structure of EphA2/SHIP2 Complex | | 分子名称: | Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2,Ephrin type-A receptor 2 | | 著者 | Wang, Y, Shang, Y, Li, J, Chen, W, Li, G, Wan, J, Liu, W, Zhang, M. | | 登録日 | 2018-04-25 | | 公開日 | 2018-05-30 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Specific Eph receptor-cytoplasmic effector signaling mediated by SAM-SAM domain interactions.
Elife, 7, 2018
|
|
5ZRY
 | | Crystal Structure of EphA6/Odin Complex | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Ankyrin repeat and SAM domain-containing protein 1A,Ephrin type-A receptor 6, ... | | 著者 | Wang, Y, Shang, Y, Li, J, Chen, W, Li, G, Wan, J, Liu, W, Zhang, M. | | 登録日 | 2018-04-25 | | 公開日 | 2018-05-30 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Specific Eph receptor-cytoplasmic effector signaling mediated by SAM-SAM domain interactions.
Elife, 7, 2018
|
|
5ZRZ
 | | Crystal Structure of EphA5/SAMD5 Complex | | 分子名称: | Ephrin type-A receptor 5, Sterile alpha motif domain-containing protein 5 | | 著者 | Wang, Y, Shang, Y, Li, J, Chen, W, Li, G, Wan, J, Liu, W, Zhang, M. | | 登録日 | 2018-04-25 | | 公開日 | 2018-05-30 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Specific Eph receptor-cytoplasmic effector signaling mediated by SAM-SAM domain interactions.
Elife, 7, 2018
|
|
7C9Q
 | | Crystal structure of Human liver fructose-1,6-bisphoaphatase complex with Mg2+ and AMP | | 分子名称: | ADENOSINE MONOPHOSPHATE, Fructose-1,6-bisphosphatase 1, MAGNESIUM ION | | 著者 | Huang, Y, Li, R, Wan, J. | | 登録日 | 2020-06-07 | | 公開日 | 2021-06-09 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.878 Å) | | 主引用文献 | Crystal structure of Human liver fructose-1,6-bisphoaphatase complex with Mg2+ and AMP
To Be Published
|
|
6JLE
 | | Crystal structure of MORN4/Myo3a complex | | 分子名称: | CITRIC ACID, GLYCEROL, MORN repeat-containing protein 4, ... | | 著者 | Li, J, Liu, H, Raval, M.H, Wan, J, Yengo, C.M, Liu, W, Zhang, M. | | 登録日 | 2019-03-05 | | 公開日 | 2019-07-24 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Structure of the MORN4/Myo3a Tail Complex Reveals MORN Repeats as Protein Binding Modules.
Structure, 27, 2019
|
|
5C0Z
 | | The structure of oxidized rat cytochrome c at 1.13 angstroms resolution | | 分子名称: | Cytochrome c, somatic, HEME C, ... | | 著者 | Edwards, B.F.P, Mahapatra, G, Vaishnav, A.A, Brunzelle, J.S, Huttemann, M. | | 登録日 | 2015-06-12 | | 公開日 | 2016-09-21 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.1236 Å) | | 主引用文献 | Serine-47 phosphorylation of cytochromecin the mammalian brain regulates cytochromecoxidase and caspase-3 activity.
Faseb J., 2019
|
|
6WF5
 | | Crystal structure of human Naa50 in complex with a truncated cofactor derived inhibitor (compound 2) | | 分子名称: | (2R)-2-hydroxy-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide, ACE-MET-LEU-GLY-PRO-NH2, N-alpha-acetyltransferase 50 | | 著者 | Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. | | 登録日 | 2020-04-03 | | 公開日 | 2020-07-01 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020
|
|
6WFG
 | | Crystal structure of human Naa50 in complex with an inhibitor (compound 3) identified using DNA encoded library technology | | 分子名称: | (2S)-N-[(2S)-3-[1-(3-tert-butyl-1-methyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-1-(methylamino)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide, COENZYME A, N-alpha-acetyltransferase 50 | | 著者 | Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. | | 登録日 | 2020-04-03 | | 公開日 | 2020-07-01 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | | 主引用文献 | Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020
|
|
6WFO
 | | Crystal structure of human Naa50 in complex with AcCoA and an inhibitor (compound 4b) identified using DNA encoded library technology | | 分子名称: | (4S)-1-methyl-N-{(3S,5R)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide, ACETYL COENZYME *A, N-alpha-acetyltransferase 50 | | 著者 | Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. | | 登録日 | 2020-04-03 | | 公開日 | 2020-07-01 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020
|
|
6WF3
 | | Crystal structure of human Naa50 in complex with a cofactor derived inhibitor (compound 1) | | 分子名称: | ACE-MET-LEU-GLY-PRO-NH2, COENZYME A, N-alpha-acetyltransferase 50 | | 著者 | Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. | | 登録日 | 2020-04-03 | | 公開日 | 2020-07-01 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.291 Å) | | 主引用文献 | Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020
|
|
6WFN
 | | Crystal structure of human Naa50 in complex with AcCoA and an inhibitor (compound 4a) identified using DNA encoded library technology | | 分子名称: | (4S)-1-methyl-N-{(3S,5S)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide, ACETYL COENZYME *A, N-alpha-acetyltransferase 50 | | 著者 | Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. | | 登録日 | 2020-04-03 | | 公開日 | 2020-07-01 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.07 Å) | | 主引用文献 | Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020
|
|
6WFK
 | | Crystal structure of human Naa50 in complex with CoA and an inhibitor (compound 4a) identified using DNA encoded library technology | | 分子名称: | (4S)-1-methyl-N-{(3S,5S)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide, COENZYME A, N-alpha-acetyltransferase 50 | | 著者 | Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. | | 登録日 | 2020-04-03 | | 公開日 | 2020-07-01 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020
|
|
5TYT
 | | Crystal Structure of the PDZ domain of RhoGEF bound to CXCR2 C-terminal peptide | | 分子名称: | Rho guanine nucleotide exchange factor 11, C-X-C chemokine receptor type 2 chimera | | 著者 | Spellmon, N, Holcomb, J, Niu, A, Choudhary, V, Sun, X, Brunzelle, J, Li, C, Yang, Z. | | 登録日 | 2016-11-21 | | 公開日 | 2017-02-22 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.398 Å) | | 主引用文献 | Structural basis of PDZ-mediated chemokine receptor CXCR2 scaffolding by guanine nucleotide exchange factor PDZ-RhoGEF.
Biochem. Biophys. Res. Commun., 485, 2017
|
|
4NLD
 | | Crystal structure of the hepatitis C virus NS5B RNA-dependent RNA polymerase complex with BMS-791325 also known as (1aR,12bS)-8-cyclohexyl-n-(dimethylsulfamoyl)-11-methoxy-1a-{[(1R,5S)-3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl]carbonyl}-1,1a,2,12b-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-5-carboxamide and 2-(4-fluorophenyl)-n-methyl-6-[(methylsulfonyl)amino]-5-(propan-2-yloxy)-1-benzofuran-3-carboxamide | | 分子名称: | (1aR,12bS)-8-cyclohexyl-N-(dimethylsulfamoyl)-11-methoxy-1a-{[(1R,5S)-3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl]carbonyl}-1,1a,2,12b-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-5-carboxamide, 2-(4-fluorophenyl)-N-methyl-6-[(methylsulfonyl)amino]-5-(propan-2-yloxy)-1-benzofuran-3-carboxamide, RNA-directed RNA polymerase, ... | | 著者 | Sheriff, S. | | 登録日 | 2013-11-14 | | 公開日 | 2014-03-19 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Discovery and Preclinical Characterization of the Cyclopropylindolobenzazepine BMS-791325, A Potent Allosteric Inhibitor of the Hepatitis C Virus NS5B Polymerase.
J.Med.Chem., 57, 2014
|
|
8AHI
 | |
8AHE
 | | PAC-FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery | | 分子名称: | SULFATE ION, UDP-N-acetylglucosamine 2-epimerase, ~{N},5-dimethyl-1-phenyl-pyrazole-4-sulfonamide | | 著者 | Baker, L.M, Murray, J.B, Hubbard, R.E. | | 登録日 | 2022-07-21 | | 公開日 | 2022-09-14 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.108 Å) | | 主引用文献 | PAC-FragmentDEL - photoactivated covalent capture of DNA-encoded fragments for hit discovery.
Rsc Med Chem, 13, 2022
|
|
