1J97
 
 | | Phospho-Aspartyl Intermediate Analogue of Phosphoserine phosphatase | | Descriptor: | MAGNESIUM ION, PHOSPHATE ION, Phosphoserine Phosphatase | | Authors: | Cho, H, Wang, W, Kim, R, Yokota, H, Damo, S, Kim, S.-H, Wemmer, D, Kustu, S, Yan, D, Berkeley Structural Genomics Center (BSGC) | | Deposit date: | 2001-05-24 | | Release date: | 2001-07-25 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | BeF(3)(-) acts as a phosphate analog in proteins phosphorylated on aspartate: structure of a BeF(3)(-) complex with phosphoserine phosphatase.
Proc.Natl.Acad.Sci.USA, 98, 2001
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7MDP
 | | KRas G12C in complex with G-2897 | | Descriptor: | 1,2-ETHANEDIOL, 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, 4-(trifluoromethyl)-1,3-benzothiazol-2-amine, ... | | Authors: | Oh, A, Frank, Y, Wang, W. | | Deposit date: | 2021-04-05 | | Release date: | 2022-03-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Conformation-locking antibodies for the discovery and characterization of KRAS inhibitors.
Nat.Biotechnol., 40, 2022
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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
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8DN5
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8DN2
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8DN4
 | | Cryo-EM structure of human Glycine Receptor alpha-1 beta heteromer, glycine-bound state3(desensitized state) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycine receptor subunit alpha-1, Glycine receptor subunit beta,Green fluorescent protein,Glycine receptor beta, ... | | Authors: | Liu, X, Wang, W. | | Deposit date: | 2022-07-10 | | Release date: | 2023-10-11 | | Last modified: | 2023-11-01 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Asymmetric gating of a human hetero-pentameric glycine receptor.
Nat Commun, 14, 2023
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8DN3
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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
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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
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8CW2
 | | Crystal structure of TDP1 complexed with compound XZ760 | | Descriptor: | 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, 4-({(4R)-7-phenyl-2-[4-(2-{[4-(pyridin-2-yl)phenyl]methoxy}ethyl)phenyl]imidazo[1,2-a]pyridin-3-yl}amino)benzene-1,2-dicarboxylic acid, ... | | Authors: | Lountos, G.T, Zhao, X.Z, Wang, W, Kiselev, E, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R. | | Deposit date: | 2022-05-18 | | Release date: | 2023-04-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.811 Å) | | Cite: | Identification of multidentate tyrosyl-DNA phosphodiesterase 1 (TDP1) inhibitors that simultaneously access the DNA, protein and catalytic-binding sites by oxime diversification.
Rsc Chem Biol, 4, 2023
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8CVQ
 | | Crystal structure of TDP1 complexed with compound XZ761 | | Descriptor: | 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, 4-{[(4S)-2,7-diphenylimidazo[1,2-a]pyridin-3-yl]amino}benzene-1,2-dicarboxylic acid, ... | | Authors: | Lountos, G.T, Zhao, X.Z, Wang, W, Kiselev, E, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R. | | Deposit date: | 2022-05-18 | | Release date: | 2023-04-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Identification of multidentate tyrosyl-DNA phosphodiesterase 1 (TDP1) inhibitors that simultaneously access the DNA, protein and catalytic-binding sites by oxime diversification.
Rsc Chem Biol, 4, 2023
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5D0Q
 | | BamACDE complex, outer membrane beta-barrel assembly machinery (BAM) complex | | Descriptor: | Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamC, Outer membrane protein assembly factor BamD, ... | | Authors: | Gu, Y, Paterson, N, Zeng, Y, Dong, H, Wang, W, Dong, C. | | Deposit date: | 2015-08-03 | | Release date: | 2016-03-09 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structural basis of outer membrane protein insertion by the BAM complex.
Nature, 531, 2016
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5D0O
 | | BamABCDE complex, outer membrane beta barrel assembly machinery entire complex | | Descriptor: | Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ... | | Authors: | Gu, Y, Paterson, N, Zeng, Y, Dong, H, Wang, W, Dong, C. | | Deposit date: | 2015-08-03 | | Release date: | 2016-03-09 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural basis of outer membrane protein insertion by the BAM complex.
Nature, 531, 2016
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4XJ0
 | | Crystal structure of ERK2 in complex with an inhibitor 14K | | Descriptor: | 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(tetrahydro-2H-pyran-4-ylamino)pyrimidin-4-yl]pyridin-2(1H)-one, Mitogen-activated protein kinase 1 | | Authors: | Yin, J, Wang, W. | | Deposit date: | 2015-01-08 | | Release date: | 2015-09-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Discovery of highly potent, selective, and efficacious small molecule inhibitors of ERK1/2.
J.Med.Chem., 58, 2015
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5CB2
 | | the structure of candida albicans Sey1p in complex with GMPPNP | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Protein SEY1 | | Authors: | Yan, L, Sun, S, Wang, W, Shi, J, Hu, X, Wang, S, Rao, Z, Hu, J, Lou, Z. | | Deposit date: | 2015-06-30 | | Release date: | 2015-09-23 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structures of the yeast dynamin-like GTPase Sey1p provide insight into homotypic ER fusion
J.Cell Biol., 210, 2015
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7CSZ
 | | Crystal structure of the N-terminal tandem RRM domains of RBM45 in complex with single-stranded DNA | | Descriptor: | DNA (5'-D(*CP*GP*AP*CP*GP*GP*GP*AP*CP*GP*C)-3'), RNA-binding protein 45 | | Authors: | Chen, X, Yang, Z, Wang, W, Wang, M. | | Deposit date: | 2020-08-17 | | Release date: | 2021-02-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis for RNA recognition by the N-terminal tandem RRM domains of human RBM45.
Nucleic Acids Res., 49, 2021
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7CSX
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5GTX
 | | Crystal structure of mutated buckwheat glutaredoxin | | Descriptor: | buckwheat glutaredoxin | | Authors: | Zhang, X, Wang, W, Zhao, Y, Wang, Z, Wang, H. | | Deposit date: | 2016-08-23 | | Release date: | 2017-07-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Structural insights into the binding of buckwheat glutaredoxin with GSH and regulation of its catalytic activity
J. Inorg. Biochem., 173, 2017
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4Q5W
 | | Crystal structure of extended-Tudor 9 of Drosophila melanogaster | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Maternal protein tudor | | Authors: | Ren, R, Liu, H, Wang, W, Wang, M, Yang, N, Dong, Y, Gong, W, Lehmann, R, Xu, R.M. | | Deposit date: | 2014-04-17 | | Release date: | 2014-05-21 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | Structure and domain organization of Drosophila Tudor
Cell Res., 24, 2014
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4Q5Y
 | | Crystal structure of extended-Tudor 10-11 of Drosophila melanogaster | | Descriptor: | Maternal protein tudor | | Authors: | Liu, H, Ren, R, Wang, W, Wang, M, Yang, N, Dong, Y, Gong, W, Lehmann, R, Xu, R.M. | | Deposit date: | 2014-04-18 | | Release date: | 2014-05-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure and domain organization of Drosophila Tudor
Cell Res., 24, 2014
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5DG4
 | | Crystal structure of monomer human cellular retinol binding protein II-Y60L | | Descriptor: | ACETATE ION, Retinol-binding protein 2 | | Authors: | Assar, Z, Nossoni, Z, Wang, W, Gieger, J.H, Borhan, B. | | Deposit date: | 2015-08-27 | | Release date: | 2016-09-21 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Domain-Swapped Dimers of Intracellular Lipid-Binding Proteins: Evidence for Ordered Folding Intermediates.
Structure, 24, 2016
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6URC
 | | Crystal structure of IRE1a in complex with compound 18 | | Descriptor: | 2-chloro-N-(6-methyl-5-{[3-(2-{[(3S)-piperidin-3-yl]amino}pyrimidin-4-yl)pyridin-2-yl]oxy}naphthalen-1-yl)benzene-1-sulfonamide, GLYCEROL, Serine/threonine-protein kinase/endoribonuclease IRE1 | | Authors: | Wallweber, H.H, Wang, W. | | Deposit date: | 2019-10-23 | | Release date: | 2019-11-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Disruption of IRE1 alpha through its kinase domain attenuates multiple myeloma.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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5GOU
 | | Structure of a 16-mer protein nanocage fabricated from its 24-mer analogue by subunit interface redesign | | Descriptor: | Ferritin heavy chain | | Authors: | Zhang, S, Zang, J, Wang, W, Wang, H, Zhao, G. | | Deposit date: | 2016-07-29 | | Release date: | 2017-02-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | Conversion of the Native 24-mer Ferritin Nanocage into Its Non-Native 16-mer Analogue by Insertion of Extra Amino Acid Residues.
Angew. Chem. Int. Ed. Engl., 55, 2016
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6W3E
 | | Structure of phosphorylated IRE1 in complex with G-0701 | | Descriptor: | Serine/threonine-protein kinase/endoribonuclease IRE1, methyl ~{N}-[6-methyl-5-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]carbamate | | Authors: | Ferri, E, Wang, W, Joachim, R, Mortara, K. | | Deposit date: | 2020-03-09 | | Release date: | 2020-12-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.737 Å) | | Cite: | Activation of the IRE1 RNase through remodeling of the kinase front pocket by ATP-competitive ligands.
Nat Commun, 11, 2020
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4ZY4
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