9B3B
 
 | | Structure of TDP1 complexed with compound IB09 | | Descriptor: | (8M)-8-{4-(benzylcarbamoyl)-2-[(fluorosulfonyl)oxy]phenyl}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | | Authors: | Lountos, G.T, Zhao, X.Z, Barakat, I, Wang, W, Agama, K, Al Mahmud, M.R, Pommier, Y, Burke, T.R. | | Deposit date: | 2024-03-18 | | Release date: | 2024-09-25 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Structure of TDP1 complexed with compound IB09
To Be Published
|
|
9BJ1
 | | Crystal structure of inhibitor GNE-6893 bound to HPK1 | | Descriptor: | (4S,5R,7R,11aP)-10-{[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl}-N~3~-methyl-6,7-dihydro-5H-5,7-methanoimidazo[2,1-a][2]benzazepine-2,3-dicarboxamide, (9S)-2-{[(6P)-8-amino-6-(5-amino-4-methylpyridin-3-yl)-7-fluoroisoquinolin-3-yl]amino}-6-methyl-5,6-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7(8H)-one, 1,2-ETHANEDIOL, ... | | Authors: | Kiefer, J.R, Tellis, J.C, Chan, B.K, Wang, W, Wu, P, Choo, E.F, Heffron, T.P, Wei, B, Siu, M. | | Deposit date: | 2024-04-24 | | Release date: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Discovery of GNE-6893, a Potent, Selective, Orally Bioavailable Small Molecule Inhibitor of HPK1.
Acs Med.Chem.Lett., 15, 2024
|
|
8JKB
 | | Cryo-EM structure of KCTD5 in complex with Gbeta gamma subunits | | Descriptor: | BTB/POZ domain-containing protein KCTD5, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1 | | Authors: | Zheng, S, Jiang, W, Wang, W, Kong, Y. | | Deposit date: | 2023-06-01 | | Release date: | 2023-07-26 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.27 Å) | | Cite: | Structural basis for the ubiquitination of G protein beta gamma subunits by KCTD5/Cullin3 E3 ligase.
Sci Adv, 9, 2023
|
|
6XLO
 | | Crystal structure of bRaf in complex with inhibitor | | Descriptor: | 3-(2-cyanopropan-2-yl)-N-[2-fluoro-4-methyl-5-(7-methyl-8-oxo-7,8-dihydropyrido[2,3-d]pyridazin-3-yl)phenyl]benzamide, IODIDE ION, Serine/threonine-protein kinase B-raf | | Authors: | Yin, J, Eigenbrot, C, Wang, W. | | Deposit date: | 2020-06-28 | | Release date: | 2021-05-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.493 Å) | | Cite: | Targeting KRAS Mutant Cancers via Combination Treatment: Discovery of a 5-Fluoro-4-(3 H )-quinazolinone Aryl Urea pan-RAF Kinase Inhibitor.
J.Med.Chem., 64, 2021
|
|
8EEC
 | | Crystal structure of HPK1 citron-homology domain | | Descriptor: | Isoform 2 of Mitogen-activated protein kinase kinase kinase kinase 1, PHOSPHATE ION | | Authors: | Wu, P, Lehoux, I, Wang, W. | | Deposit date: | 2022-09-06 | | Release date: | 2024-03-27 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | HPK1 citron homology domain regulates phosphorylation of SLP76 and modulates kinase domain interaction dynamics
Nat Commun, 15, 2024
|
|
8J0D
 | | FCP heterodimer, Lhca2, and Lhcf5 together as the M1 side binds to the PSII core in the diatom Thalassiosira pseudonana | | Descriptor: | (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | | Authors: | Li, Z, Feng, Y, Wang, W, Shen, J.R. | | Deposit date: | 2023-04-10 | | Release date: | 2023-10-25 | | Last modified: | 2023-11-08 | | Method: | ELECTRON MICROSCOPY (3.19 Å) | | Cite: | Structure of a diatom photosystem II supercomplex containing a member of Lhcx family and dimeric FCPII.
Sci Adv, 9, 2023
|
|
1G6M
 | |
5KQA
 | | Crystal structure of buckwheat glutaredoxin-glutathione complex | | Descriptor: | GLUTATHIONE, Glutaredoxin-glutathione complex | | Authors: | Zhang, X, Wang, W, Zhao, Y, Wang, Z, Wang, H. | | Deposit date: | 2016-07-06 | | Release date: | 2017-07-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural insights into the binding of buckwheat glutaredoxin with GSH and regulation of its catalytic activity
J. Inorg. Biochem., 173, 2017
|
|
8IVM
 | | crystal structure of SulE mutant | | Descriptor: | Alpha/beta fold hydrolase, GLYCEROL, L(+)-TARTARIC ACID, ... | | Authors: | Liu, B, He, J, Ran, T, Wang, W. | | Deposit date: | 2023-03-28 | | Release date: | 2023-08-02 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity.
Nat Commun, 14, 2023
|
|
8IVS
 | | crystal structure of SulE mutant | | Descriptor: | Alpha/beta fold hydrolase, GLYCEROL, L(+)-TARTARIC ACID, ... | | Authors: | Liu, B, He, J, Ran, T, Wang, W. | | Deposit date: | 2023-03-28 | | Release date: | 2023-08-02 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity.
Nat Commun, 14, 2023
|
|
8IVE
 | | crystal structure of SulE mutant | | Descriptor: | 2-[[[[(4-CHLORO-6-METHOXY-2-PYRIMIDINYL)AMINO]CARBONYL]AMINO]SULFONYL]BENZOIC ACID ETHYL ESTER, Alpha/beta fold hydrolase, GLYCEROL | | Authors: | Liu, B, He, J, Ran, T, Wang, W. | | Deposit date: | 2023-03-27 | | Release date: | 2023-08-02 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity.
Nat Commun, 14, 2023
|
|
8J7J
 | | crystal structure of SulE mutant | | Descriptor: | Alpha/beta fold hydrolase, GLYCEROL, L(+)-TARTARIC ACID, ... | | Authors: | Liu, B, He, J, Ran, T, Wang, W. | | Deposit date: | 2023-04-27 | | Release date: | 2023-08-02 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity.
Nat Commun, 14, 2023
|
|
8IVN
 | | crystal structure of SulE mutant | | Descriptor: | Alpha/beta fold hydrolase, GLYCEROL, L(+)-TARTARIC ACID, ... | | Authors: | Liu, B, He, J, Ran, T, Wang, W. | | Deposit date: | 2023-03-28 | | Release date: | 2023-08-02 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity.
Nat Commun, 14, 2023
|
|
8IVT
 | | crystal structure of SulE mutant | | Descriptor: | Alpha/beta fold hydrolase, GLYCEROL, L(+)-TARTARIC ACID, ... | | Authors: | Liu, B, He, J, Ran, T, Wang, W. | | Deposit date: | 2023-03-28 | | Release date: | 2023-08-02 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity.
Nat Commun, 14, 2023
|
|
8IW6
 | | crystal structure of SulE mutant | | Descriptor: | Alpha/beta fold hydrolase, GLYCEROL, L(+)-TARTARIC ACID, ... | | Authors: | Liu, B, He, J, Ran, T, Wang, W. | | Deposit date: | 2023-03-29 | | Release date: | 2023-08-02 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity.
Nat Commun, 14, 2023
|
|
8J7G
 | | crystal structure of SulE mutant | | Descriptor: | Alpha/beta fold hydrolase, GLYCEROL, L(+)-TARTARIC ACID, ... | | Authors: | Liu, B, He, J, Ran, T, Wang, W. | | Deposit date: | 2023-04-27 | | Release date: | 2023-08-02 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity.
Nat Commun, 14, 2023
|
|
8IW3
 | | crystal structure of SulE mutant | | Descriptor: | 2-[[[[(4-CHLORO-6-METHOXY-2-PYRIMIDINYL)AMINO]CARBONYL]AMINO]SULFONYL]BENZOIC ACID ETHYL ESTER, Alpha/beta fold hydrolase, GLYCEROL, ... | | Authors: | Liu, B, He, J, Ran, T, Wang, W. | | Deposit date: | 2023-03-29 | | Release date: | 2023-08-02 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity.
Nat Commun, 14, 2023
|
|
8J7K
 | | crystal structure of SulE mutant | | Descriptor: | Alpha/beta fold hydrolase, GLYCEROL, L(+)-TARTARIC ACID, ... | | Authors: | Liu, B, He, J, Ran, T, Wang, W. | | Deposit date: | 2023-04-27 | | Release date: | 2023-08-02 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity.
Nat Commun, 14, 2023
|
|
1NI1
 | | Imidazole and cyanophenyl farnesyl transferase inhibitors | | Descriptor: | 2-CHLORO-5-(3-CHLORO-PHENYL)-6-[(4-CYANO-PHENYL)-(3-METHYL-3H-IMIDAZOL-4-YL)- METHOXYMETHYL]-NICOTINONITRILE, ALPHA-HYDROXYFARNESYLPHOSPHONIC ACID, Protein farnesyltransferase alpha subunit, ... | | Authors: | Tong, Y, Lin, N.H, Wang, L, Hasvold, L, Wang, W, Leonard, N, Li, T, Li, Q, Cohen, J, Gu, W.Z, Zhang, H, Stoll, V, Bauch, J, Marsh, K, Rosenberg, S.H, Sham, H.L. | | Deposit date: | 2002-12-20 | | Release date: | 2004-04-06 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of potent imidazole and cyanophenyl containing farnesyltransferase inhibitors with improved oral bioavailability.
Bioorg.Med.Chem.Lett., 13, 2003
|
|
1JE9
 | | NMR SOLUTION STRUCTURE OF NT2 | | Descriptor: | SHORT NEUROTOXIN II | | Authors: | Cheng, Y, Wang, W, Wang, J. | | Deposit date: | 2001-06-16 | | Release date: | 2001-07-04 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Structure-function relationship of three neurotoxins from the venom of Naja kaouthia: a comparison between the NMR-derived structure of NT2 with its homologues, NT1 and NT3
BIOCHIM.BIOPHYS.ACTA, 1594, 2002
|
|
4QC2
 | | Crystal structure of lipopolysaccharide transport protein LptB in complex with ATP and Magnesium ions | | Descriptor: | ABC transporter related protein, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION | | Authors: | Wang, Z, Xiang, Q, Zhu, X, Dong, H, He, C, Wang, H, Zhang, Y, Wang, W, Dong, C. | | Deposit date: | 2014-05-09 | | Release date: | 2014-10-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Structural and functional studies of conserved nucleotide-binding protein LptB in lipopolysaccharide transport.
Biochem.Biophys.Res.Commun., 452, 2014
|
|
6XDF
 | | Crystal structure of IRE1a in complex with G-4100 | | Descriptor: | 4-amino-N-(6-chloro-2-fluoro-3-{[(pyrrolidin-1-yl)sulfonyl]amino}phenyl)quinazoline-8-carboxamide, SODIUM ION, Serine/threonine-protein kinase/endoribonuclease IRE1 | | Authors: | Steinbacher, S, Wang, W. | | Deposit date: | 2020-06-10 | | Release date: | 2021-04-21 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Identification of BRaf-Sparing Amino-Thienopyrimidines with Potent IRE1 alpha Inhibitory Activity.
Acs Med.Chem.Lett., 11, 2020
|
|
6XDD
 | | Crystal structure of IRE1 in complex with G-3053 | | Descriptor: | 4-[(trans-4-aminocyclohexyl)amino]-N-(6-chloro-3-{[(2,5-difluorophenyl)sulfonyl]amino}-2-fluorophenyl)thieno[3,2-d]pyrimidine-7-carboxamide, Serine/threonine-protein kinase/endoribonuclease IRE1 | | Authors: | Ackerly-Wallweber, H, Wang, W. | | Deposit date: | 2020-06-10 | | Release date: | 2021-04-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Identification of BRaf-Sparing Amino-Thienopyrimidines with Potent IRE1 alpha Inhibitory Activity.
Acs Med.Chem.Lett., 11, 2020
|
|
6SKV
 | |
6SKS
 | |
