8V2L
 
 | | Crystal structure of IRAK4 kinase domain with compound 8 | | Descriptor: | 1,2-ETHANEDIOL, Interleukin-1 receptor-associated kinase 4, N-{2-[4-(hydroxymethyl)phenyl]-6-(2-hydroxypropan-2-yl)-2H-indazol-5-yl}-6-(trifluoromethyl)pyridine-2-carboxamide | | Authors: | Weiss, M.M, Zheng, X, Browne, C.M, Campbell, V, Chen, D, Enerson, B, Fei, X, Huang, X, Klaus, C.R, Li, H, Mayo, M, McDonald, A.A, Paul, A, Sharma, K, Shi, Y, Slavin, A, Walter, D.M, Yuan, K, Zhang, Y, Zhu, X, Kelleher, J, Ji, N, Walker, D, Mainolfi, N. | | Deposit date: | 2023-11-22 | | Release date: | 2024-07-03 | | Last modified: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Discovery of KT-413, a Targeted Protein Degrader of IRAK4 and IMiD Substrates Targeting MYD88 Mutant Diffuse Large B-Cell Lymphoma.
J.Med.Chem., 67, 2024
|
|
3GTM
 | | Co-complex of Backtracked RNA polymerase II with TFIIS | | Descriptor: | DNA (28-MER), DNA (5'-D(*CP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*AP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, ... | | Authors: | Wang, D, Bushnell, D.A, Huang, X, Westover, K.D, Levitt, M, Kornberg, R.D. | | Deposit date: | 2009-03-27 | | Release date: | 2009-06-09 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Structural basis of transcription: backtracked RNA polymerase II at 3.4 angstrom resolution.
Science, 324, 2009
|
|
6IZQ
 | | PRMT4 bound with a bicyclic compound | | Descriptor: | (2R)-1-(methylamino)-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-ol, Histone-arginine methyltransferase CARM1 | | Authors: | Xiong, B, Cao, D.Y, Guo, Z.H, Li, Y.L, Li, J, Huang, X, Shen, J.K. | | Deposit date: | 2018-12-20 | | Release date: | 2019-12-25 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.449 Å) | | Cite: | Design and Synthesis of Potent, Selective Inhibitors of Protein Arginine Methyltransferase 4 against Acute Myeloid Leukemia.
J.Med.Chem., 62, 2019
|
|
4GID
 | | Structure of beta-secretase complexed with inhibitor | | Descriptor: | Beta-secretase 1, L-PROLINAMIDE, N-[(2S)-1-({(2S,3R)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl}amino)-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide | | Authors: | Ghosh, A, Tang, J, Venkateswara, R.K, Yadav, N, Anderson, D, Gavande, N, Huang, X, Terzyan, S. | | Deposit date: | 2012-08-08 | | Release date: | 2012-10-10 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-based design of highly selective beta-secretase inhibitors: synthesis, biological evaluation, and protein-ligand X-ray crystal structure.
J.Med.Chem., 55, 2012
|
|
3IZ3
 | | CryoEM structure of cytoplasmic polyhedrosis virus | | Descriptor: | Structural protein VP1, Structural protein VP3, Viral structural protein 5 | | Authors: | Cheng, L, Sun, J, Zhang, K, Mou, Z, Huang, X, Ji, G, Sun, F, Zhang, J, Zhu, P. | | Deposit date: | 2010-09-14 | | Release date: | 2011-03-16 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Atomic model of a cypovirus built from cryo-EM structure provides insight into the mechanism of mRNA capping.
Proc.Natl.Acad.Sci.USA, 108, 2011
|
|
3J6Q
 | | Identification of the active sites in the methyltransferases of a transcribing dsRNA virus | | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, Structural protein VP3 | | Authors: | Zhu, B, Yang, C, Liu, H, Cheng, L, Song, F, Zeng, S, Huang, X, Ji, G, Zhu, P. | | Deposit date: | 2014-03-20 | | Release date: | 2014-10-08 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Identification of the active sites in the methyltransferases of a transcribing dsRNA virus.
J.Mol.Biol., 426, 2014
|
|
3GTQ
 | | Backtracked RNA polymerase II complex induced by damage | | Descriptor: | DNA (5'-D(*CP*TP*AP*CP*CP*CP*AP*TP*AP*AP*CP*CP*AP*CP*AP*GP*GP*CP*TP*CP*CP*TP*CP*TP*CP*CP*AP*TP*C)-3'), DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, ... | | Authors: | Wang, D, Bushnell, D.A, Huang, X, Westover, K.D, Levitt, M, Kornberg, R.D. | | Deposit date: | 2009-03-27 | | Release date: | 2009-06-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Structural basis of transcription: backtracked RNA polymerase II at 3.4 angstrom resolution.
Science, 324, 2009
|
|
3GTG
 | | Backtracked RNA polymerase II complex with 12mer RNA | | Descriptor: | DNA (28-MER), DNA (5'-D(*CP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*AP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, ... | | Authors: | Wang, D, Bushnell, D.A, Huang, X, Westover, K.D, Levitt, M, Kornberg, R.D. | | Deposit date: | 2009-03-27 | | Release date: | 2009-06-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.78 Å) | | Cite: | Structural basis of transcription: backtracked RNA polymerase II at 3.4 angstrom resolution.
Science, 324, 2009
|
|
3GTO
 | | Backtracked RNA polymerase II complex with 15mer RNA | | Descriptor: | DNA (28-MER), DNA (5'-D(*CP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*AP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, ... | | Authors: | Wang, D, Bushnell, D.A, Huang, X, Westover, K.D, Levitt, M, Kornberg, R.D. | | Deposit date: | 2009-03-27 | | Release date: | 2009-06-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (4 Å) | | Cite: | Structural basis of transcription: backtracked RNA polymerase II at 3.4 angstrom resolution.
Science, 324, 2009
|
|
3GTJ
 | | Backtracked RNA polymerase II complex with 13mer RNA | | Descriptor: | DNA (28-MER), DNA (5'-D(*CP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*AP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, ... | | Authors: | Wang, D, Bushnell, D.A, Huang, X, Westover, K.D, Levitt, M, Kornberg, R.D. | | Deposit date: | 2009-03-27 | | Release date: | 2009-06-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.42 Å) | | Cite: | Structural basis of transcription: backtracked RNA polymerase II at 3.4 angstrom resolution.
Science, 324, 2009
|
|
3OT1
 | | Crystal structure of VC2308 protein | | Descriptor: | 4-methyl-5(B-hydroxyethyl)-thiazole monophosphate biosynthesis enzyme, CHLORIDE ION, SODIUM ION | | Authors: | Niedzialkowska, E, Wawrzak, Z, Chruszcz, M, Porebski, P, Skarina, T, Huang, X, Grimshaw, S, Cymborowski, M, Savchenko, A, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2010-09-10 | | Release date: | 2010-09-22 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Crystal structure of VC2308 protein
To be Published
|
|
5DQC
 | | Co-crystal of BACE1 with compound 0211 | | Descriptor: | Beta-secretase 1, N-[(2S,3R)-3-hydroxy-4-({(2S,3S)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl}amino)-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide | | Authors: | Ghosh, A.K, Bhavanam, S.R, Yen, T.-C, Cardenas, E.L, Rao, K.V, Downs, D, Huang, X, Tang, J, Mescar, A.D. | | Deposit date: | 2015-09-14 | | Release date: | 2016-02-17 | | Last modified: | 2016-07-13 | | Method: | X-RAY DIFFRACTION (2.4651 Å) | | Cite: | Design of Potent and Highly Selective Inhibitors for Human beta-Secretase 2 (Memapsin 1), a Target for Type 2 Diabetes.
Chem Sci, 7, 2016
|
|
3SDN
 | | Structure of G65I sperm whale myoglobin mutant | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Myoglobin, ... | | Authors: | Lebioda, L, Huang, X. | | Deposit date: | 2011-06-09 | | Release date: | 2011-11-02 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Amphitrite ornata Dehaloperoxidase (DHP): Investigations of Structural Factors That Influence the Mechanism of Halophenol Dehalogenation Using "Peroxidase-like" Myoglobin Mutants and "Myoglobin-like" DHP Mutants.
Biochemistry, 50, 2011
|
|
4NLH
 | |
5J97
 | |
6BSY
 | | HIV-1 Rev assembly domain (residues 1-69) | | Descriptor: | PHOSPHATE ION, Protein Rev | | Authors: | Watts, N.R, Eren, E, Zhuang, X, Wang, Y.X, Steven, A.C, Wingfield, P.T. | | Deposit date: | 2017-12-04 | | Release date: | 2018-04-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | A new HIV-1 Rev structure optimizes interaction with target RNA (RRE) for nuclear export.
J. Struct. Biol., 203, 2018
|
|
4OUH
 | |
4L9H
 | | Crystal structure of the FP domain of human F-box protein Fbxo7(SeMet) | | Descriptor: | F-box only protein 7 | | Authors: | Du, Z, Huang, X, Shang, J, Yang, Y, Wang, G. | | Deposit date: | 2013-06-18 | | Release date: | 2014-01-15 | | Last modified: | 2014-10-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of the FP domain of Fbxo7 reveals a novel mode of protein-protein interaction.
Acta Crystallogr.,Sect.D, 70, 2014
|
|
4L9C
 | | Crystal structure of the FP domain of human F-box protein Fbxo7 (native) | | Descriptor: | F-box only protein 7, GLYCEROL | | Authors: | Du, Z, Huang, X, Shang, J, Yang, Y, Wang, G. | | Deposit date: | 2013-06-18 | | Release date: | 2014-01-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of the FP domain of Fbxo7 reveals a novel mode of protein-protein interaction.
Acta Crystallogr.,Sect.D, 70, 2014
|
|
6C45
 | |
7WJS
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor Y13157 | | Descriptor: | 2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, Bromodomain-containing protein 4, GLYCEROL | | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | | Deposit date: | 2022-01-07 | | Release date: | 2022-08-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
|
|
7WKY
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor Y13153 | | Descriptor: | 2-(2-cyclopentyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, Bromodomain-containing protein 4, GLYCEROL | | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | | Deposit date: | 2022-01-12 | | Release date: | 2022-08-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
|
|
7WMU
 | | Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13146 | | Descriptor: | 1,2-ETHANEDIOL, Isoform 4 of Bromodomain-containing protein 2, ~{N}-[4-[2,4-bis(fluoranyl)phenoxy]-3-[2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-5-methyl-4-oxidanylidene-furo[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide | | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | | Deposit date: | 2022-01-17 | | Release date: | 2022-08-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
|
|
7WN5
 | | Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13142 | | Descriptor: | 1,2-ETHANEDIOL, Isoform 4 of Bromodomain-containing protein 2, POTASSIUM ION, ... | | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | | Deposit date: | 2022-01-17 | | Release date: | 2022-08-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
|
|
7WNI
 | | Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13158 | | Descriptor: | 1,2-ETHANEDIOL, 7-[2-[2,4-bis(fluoranyl)phenoxy]-5-(2-oxidanylpropan-2-yl)phenyl]-2-[4-(2-hydroxyethyloxy)-3,5-dimethyl-phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | | Deposit date: | 2022-01-18 | | Release date: | 2022-08-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.12 Å) | | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
|
|
