1ZVB
 
 | | A structure-based mechanism of SARS virus membrane fusion | | Descriptor: | E2 glycoprotein | | Authors: | Deng, Y, Liu, J, Zheng, Q, Yong, W, Dai, J, Lu, M. | | Deposit date: | 2005-06-01 | | Release date: | 2006-05-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structures and Polymorphic Interactions of Two Heptad-Repeat Regions of the SARS Virus S2 Protein.
Structure, 14, 2006
|
|
1ZVA
 | | A structure-based mechanism of SARS virus membrane fusion | | Descriptor: | E2 glycoprotein | | Authors: | Deng, Y, Liu, J, Zheng, Q, Yong, W, Dai, J, Lu, M. | | Deposit date: | 2005-06-01 | | Release date: | 2006-05-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structures and Polymorphic Interactions of Two Heptad-Repeat Regions of the SARS Virus S2 Protein.
Structure, 14, 2006
|
|
1ZV7
 | | A structure-based mechanism of SARS virus membrane fusion | | Descriptor: | CHLORIDE ION, spike glycoprotein | | Authors: | Deng, Y, Liu, J, Zheng, Q, Yong, W, Dai, J, Lu, M. | | Deposit date: | 2005-06-01 | | Release date: | 2006-05-16 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structures and Polymorphic Interactions of Two Heptad-Repeat Regions of the SARS Virus S2 Protein.
Structure, 14, 2006
|
|
1ZV8
 | | A structure-based mechanism of SARS virus membrane fusion | | Descriptor: | ACETATE ION, CACODYLATE ION, E2 glycoprotein, ... | | Authors: | Deng, Y, Liu, J, Zheng, Q, Yong, W, Dai, J, Lu, M. | | Deposit date: | 2005-06-01 | | Release date: | 2006-05-16 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Structures and Polymorphic Interactions of Two Heptad-Repeat Regions of the SARS Virus S2 Protein.
Structure, 14, 2006
|
|
9UDB
 | | Crystal structure of MonCI in complex with farnesyl acetate | | Descriptor: | (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl acetate, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Deng, Y.M, Chen, X. | | Deposit date: | 2025-04-06 | | Release date: | 2025-04-16 | | Last modified: | 2025-05-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Mechanistic and molecular insights into iterative triepoxidation catalyzed by monooxygenase MonCI using a natural substrate analog.
Int.J.Biol.Macromol., 311, 2025
|
|
2B1F
 | | Antiparallel four-stranded coiled coil specified by a 3-3-1 hydrophobic heptad repeat | | Descriptor: | General control protein GCN4 | | Authors: | Deng, Y, Liu, J, Zheng, Q, Eliezer, D, Kallenbach, N.R, Lu, M. | | Deposit date: | 2005-09-15 | | Release date: | 2006-01-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Antiparallel four-stranded coiled coil specified by a 3-3-1 hydrophobic heptad repeat.
Structure, 14, 2006
|
|
2B22
 | | Antiparallel four-stranded coiled coil specified by a 3-3-1 hydrophobic heptad repeat | | Descriptor: | General control protein GCN4, SODIUM ION | | Authors: | Deng, Y, Liu, J, Zheng, Q, Eliezer, D, Kallenbach, N.R, Lu, M. | | Deposit date: | 2005-09-16 | | Release date: | 2006-01-31 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Antiparallel four-stranded coiled coil specified by a 3-3-1 hydrophobic heptad repeat.
Structure, 14, 2006
|
|
6DAM
 | | Crystal structure of lanthanide-dependent methanol dehydrogenase XoxF from Methylomicrobium buryatense 5G | | Descriptor: | LANTHANUM (III) ION, Lanthanide-dependent methanol dehydrogenase XoxF, PYRROLOQUINOLINE QUINONE, ... | | Authors: | Deng, Y, Ro, S.Y, Rosenzweig, A.C. | | Deposit date: | 2018-05-01 | | Release date: | 2018-09-05 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure and function of the lanthanide-dependent methanol dehydrogenase XoxF from the methanotroph Methylomicrobium buryatense 5GB1C.
J. Biol. Inorg. Chem., 23, 2018
|
|
8XU7
 | | Crystal structure of Lsd18 in complex with a product | | Descriptor: | (4R,5S)-3-((2R,3S,4S)-2-ethyl-5-((2R,3R)-2-ethyl-3-(2-((2R,3R)-2-ethyl-3-methyloxiran-2-yl)ethyl)oxiran-2-yl)-3-hydroxy-4-methylpentanoyl)-4-methyl-5-phenyloxazolidin-2-one, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Deng, Y.M, Chen, X. | | Deposit date: | 2024-01-12 | | Release date: | 2025-01-15 | | Last modified: | 2025-05-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Basis of Sequential Enantioselective Epoxidation by a Flavin-Dependent Monooxygenase in Lasalocid A Biosynthesis.
Angew.Chem.Int.Ed.Engl., 2025
|
|
8XTZ
 | | Crystal structure of Lsd18 in complex with a substrate | | Descriptor: | (4R,5S)-4-methyl-5-phenyl-3-((2R,3S,4S,6E,10E)-2,6,10-triethyl-3-hydroxy-4-methyldodeca-6,10-dienoyl)oxazolidin-2-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Deng, Y.M, Hu, Y.L, Chen, X. | | Deposit date: | 2024-01-12 | | Release date: | 2025-01-15 | | Last modified: | 2025-05-07 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural Basis of Sequential Enantioselective Epoxidation by a Flavin-Dependent Monooxygenase in Lasalocid A Biosynthesis.
Angew.Chem.Int.Ed.Engl., 2025
|
|
8WVT
 | | Crystal structure of Lsd18 in complex with ligands | | Descriptor: | (4R,5S)-3-((2R,3S,4S,E)-2,6-diethyl-9-((2R,3R)-2-ethyl-3-methyloxiran-2-yl)-3-hydroxy-4-methylnon-6-enoyl)-4-methyl-5-phenyloxazolidin-2-one, (4R,5S)-4-methyl-5-phenyl-3-((2R,3S,4S,6E,10E)-2,6,10-triethyl-3-hydroxy-4-methyldodeca-6,10-dienoyl)oxazolidin-2-one, CHLORIDE ION, ... | | Authors: | Deng, Y.M, Hu, Y.L, Chen, X. | | Deposit date: | 2023-10-24 | | Release date: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structure of Lsd18 in complex with ligands
To Be Published
|
|
7EN0
 | | Structure and Activity of SLAC1 Channels for Stomatal Signaling in Leaves | | Descriptor: | DIUNDECYL PHOSPHATIDYL CHOLINE, SLow Anion Channel 1, SPHINGOSINE | | Authors: | Deng, Y, Kashtoh, H, Wang, Q, Zhen, G, Li, Q, Tang, L, Gao, H, Zhang, C, Qin, L, Su, M, Li, F, Huang, X, Wang, Y, Xie, Q, Clarke, O.B, Hendrickson, W.A, Chen, Y. | | Deposit date: | 2021-04-15 | | Release date: | 2021-05-19 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (2.97 Å) | | Cite: | Structure and activity of SLAC1 channels for stomatal signaling in leaves.
Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
4QYY
 | | Discovery of Novel, Dual Mechanism ERK Inhibitors by Affinity Selection Screening of an Inactive Kinase State | | Descriptor: | (3R)-1-{2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl}-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | Deng, Y, Shipps, G.W, Cooper, A, English, J.M, Annis, D.A, Carr, D, Nan, Y, Wang, T, Zhu, Y.H, Chuang, C, Dayananth, P, Hruza, A.W, Xiao, L, Jin, W, Kirschmeier, P, Windsor, W.T, Samatar, A.A. | | Deposit date: | 2014-07-26 | | Release date: | 2014-11-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Discovery of Novel, Dual Mechanism ERK Inhibitors by Affinity Selection Screening of an Inactive Kinase.
J.Med.Chem., 57, 2014
|
|
4UXL
 | | Structure of Human ROS1 Kinase Domain in Complex with PF-06463922 | | Descriptor: | (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ROS | | Authors: | McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A. | | Deposit date: | 2014-08-25 | | Release date: | 2015-03-11 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Pf-06463922 is a Potent and Selective Next-Generation Ros1/Alk Inhibitor Capable of Blocking Crizotinib-Resistant Ros1 Mutations.
Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
2X4Z
 | | Crystal Structure of the Human p21-Activated Kinase 4 in Complex with PF-03758309 | | Descriptor: | GLYCEROL, PF-3758309, SERINE/THREONINE-PROTEIN KINASE PAK 4 | | Authors: | Knighton, D.R, Deng, Y, Murray, B, Guo, C, Piraino, J, Westwick, J, Zhang, C, Lamerdin, J, Dagostino, E, Loi, C.-M, Zager, M, Kraynov, E, Christensen, J, Martinez, R, Kephart, S, Marakovits, J, Karlicek, S, Bergqvist, S, Smeal, T. | | Deposit date: | 2010-02-03 | | Release date: | 2010-05-19 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Small-Molecule P21-Activated Kinase Inhibitor Pf- 3758309 is a Potent Inhibitor of Oncogenic Signaling and Tumor Growth.
Proc.Natl.Acad.Sci.USA, 107, 2010
|
|
8G2F
 | | Crystal Structure of PRMT3 with Compound II710 | | Descriptor: | 5'-S-[3-(N'-benzylcarbamimidamido)propyl]-5'-thioadenosine, Protein arginine N-methyltransferase 3 | | Authors: | Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-02-03 | | Release date: | 2023-05-10 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | A unique binding pocket induced by a noncanonical SAH mimic to develop potent and selective PRMT inhibitors.
Acta Pharm Sin B, 13, 2023
|
|
5XS3
 | | Crystal structure of HLA Class I antigen | | Descriptor: | Heavy Chain, Light Chain, P | | Authors: | Wei, P.C, Yang, Y, Liu, Z.X, Luo, Z.Q, Tu, W.Y, Han, J.Y, Deng, Y.H, Yin, L. | | Deposit date: | 2017-06-12 | | Release date: | 2017-09-13 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Characterization of Autoantigen Presentation by HLA-C*06:02 in Psoriasis
J. Invest. Dermatol., 137, 2017
|
|
8G2G
 | | Crystal structure of PRMT3 with compound YD1113 | | Descriptor: | 5'-S-[2-(benzylcarbamamido)ethyl]-5'-thioadenosine, Protein arginine N-methyltransferase 3, SULFATE ION | | Authors: | Song, X, Dong, A, Arrowsmith, C.H, Edwards, A.M, Deng, Y, Huang, R, Min, J. | | Deposit date: | 2023-02-03 | | Release date: | 2023-04-26 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | A unique binding pocket induced by a noncanonical SAH mimic to develop potent and selective PRMT inhibitors.
Acta Pharm Sin B, 13, 2023
|
|
4TUU
 | | Isolated p110a subunit of PI3Ka provides a platform for structure-based drug design | | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Chen, P, Deng, Y.-L, Bergqvist, S, Falk, M, Liu, W, Timofeevski, S. | | Deposit date: | 2014-06-24 | | Release date: | 2014-08-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Engineering of an isolated p110 alpha subunit of PI3K alpha permits crystallization and provides a platform for structure-based drug design.
Protein Sci., 23, 2014
|
|
4TV3
 | | Isolated p110a subunit of PI3Ka provides a platform for structure-based drug design | | Descriptor: | 2-amino-8-[trans-4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Chen, P, Deng, Y.-L, Bergqvist, S, Falk, M, Liu, W, Timofeevski, S. | | Deposit date: | 2014-06-25 | | Release date: | 2014-08-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Engineering of an isolated p110 alpha subunit of PI3K alpha permits crystallization and provides a platform for structure-based drug design.
Protein Sci., 23, 2014
|
|
4W2R
 | | Structure of Hs/AcPRC2 in complex with 5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(R)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one | | Descriptor: | 5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(R)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one, Enhancer of zeste 2 polycomb repressive complex 2 subunit, Polycomb protein EED, ... | | Authors: | Gajiwala, K.S, Brooun, A, Liu, W, Deng, Y, Stewart, A.E. | | Deposit date: | 2017-09-25 | | Release date: | 2017-12-27 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Optimization of Orally Bioavailable Enhancer of Zeste Homolog 2 (EZH2) Inhibitors Using Ligand and Property-Based Design Strategies: Identification of Development Candidate (R)-5,8-Dichloro-7-(methoxy(oxetan-3-yl)methyl)-2-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3,4-dihydroisoquinolin-1(2H)-one (PF-06821497).
J. Med. Chem., 61, 2018
|
|
7SS1
 | | The structure of NTMT1 in complex with compound GD433 | | Descriptor: | (1R,3S,4R)-1-azabicyclo[2.2.2]octan-3-yl {2-[2-(4-fluoro-3-hydroxyphenyl)-1,3-thiazol-4-yl]propan-2-yl}carbamate, N-terminal Xaa-Pro-Lys N-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Yadav, R, Guangping, D, Deng, Y, Huang, R, Noinaj, N. | | Deposit date: | 2021-11-09 | | Release date: | 2022-11-16 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of a first-in-class small molecule inhibitor for Protein N-terminal methyltransferases 1/2
To Be Published
|
|
5KZ0
 | | Structure of Human Anaplastic Lymphoma Kinase in Complex With 2-[(1R)-1-{[2-amino-5-(1,3-dimethyl-1H-pyrazol-4-yl)pyridin-3-yl]oxy}ethyl]-4-fluoro-N,N-dimethylbenzamide | | Descriptor: | 2-[(1~{R})-1-[2-azanyl-5-(1,3-dimethylpyrazol-4-yl)pyridin-3-yl]oxyethyl]-4-fluoranyl-~{N},~{N}-dimethyl-benzamide, ALK tyrosine kinase receptor | | Authors: | McTigue, M, Deng, Y.L, Liu, W, Brooun, A. | | Deposit date: | 2016-07-22 | | Release date: | 2016-08-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]-benzoxadiazacyclotetradecine-3-carbonitrile (PF-06463922), a macrocyclic inhibitor of anaplastic lymphoma kinase (ALK) and c-ros oncogene 1 (ROS1) with preclinical brain exposure and broad-spectrum potency against ALK-resistant mutations.
J. Med. Chem., 57, 2014
|
|
7MLK
 | | Crystal structure of human PI3Ka (p110a subunit) with MMV085400 bound to the active site determined at 2.9 angstroms resolution | | Descriptor: | 4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]benzamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Krake, S.H, Martinez, P.D.G, Poggi, M.L, Ferreira, M.S, Aguiar, A.C.C, Souza, G.E, Wenlock, M, Jones, B, Steinbrecher, T, Day, T, McPhail, J, Burke, J, Yeo, T, Mok, S, Uhlemann, A.C, Fidock, D.A, Chen, P, Grodsky, N, Deng, Y.L, Guido, R.V.C, Campbell, S.F, Willis, P.A, Dias, L.C. | | Deposit date: | 2021-04-28 | | Release date: | 2022-05-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | Discovery of 2,6-disubstituted pyrazines as potent PI4K inhibitors with antimalarial activity
To Be Published
|
|
1K6L
 | | Photosynethetic Reaction Center from Rhodobacter sphaeroides | | Descriptor: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CARDIOLIPIN, ... | | Authors: | Pokkuluri, P.R, Laible, P.D, Deng, Y.-L, Wong, T.N, Hanson, D.K, Schiffer, M. | | Deposit date: | 2001-10-16 | | Release date: | 2002-08-07 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | The structure of a mutant photosynthetic reaction center shows unexpected changes in main chain orientations and quinone position.
Biochemistry, 41, 2002
|
|
