8C1G
 
 | | Aurora A kinase in complex with TPX2-inhibitor 7 | | Descriptor: | (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chlorophenyl)-~{N}-(dimethylsulfamoyl)-7-methyl-1~{H}-indole-6-carboxamide, ACETATE ION, ... | | Authors: | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | | Deposit date: | 2022-12-20 | | Release date: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Selective inhibitors of the Aurora A-TPX2 protein-protein interaction exhibit in vivo efficacy as targeted anti-mitotic agent
To Be Published
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8C1M
 | | Aurora A kinase in complex with TPX2-inhibitor 2 | | Descriptor: | 3-oxidanyl-5-[4-(trifluoromethyloxy)phenyl]benzoic acid, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | | Authors: | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | | Deposit date: | 2022-12-20 | | Release date: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Selective inhibitors of the Aurora A-TPX2 protein-protein interaction exhibit in vivo efficacy as targeted anti-mitotic agent
To Be Published
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8C1H
 | | Aurora A kinase in complex with TPX2-inhibitor 8 | | Descriptor: | (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chloranyl-3-pyrazin-2-yloxy-phenyl)-~{N}-(dimethylsulfamoyl)-7-methyl-1~{H}-indole-6-carboxamide, ACETATE ION, ... | | Authors: | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | | Deposit date: | 2022-12-20 | | Release date: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.233 Å) | | Cite: | Selective inhibitors of the Aurora A-TPX2 protein-protein interaction exhibit in vivo efficacy as targeted anti-mitotic agent
To Be Published
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8C1K
 | | Aurora A kinase in complex with TPX2-inhibitor CAM2602 | | Descriptor: | (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chloranyl-3-pyridin-2-yloxy-phenyl)-~{N}-(dimethylsulfamoyl)-7-methyl-1~{H}-indole-6-carboxamide, ACETATE ION, ... | | Authors: | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | | Deposit date: | 2022-12-20 | | Release date: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Selective inhibitors of the Aurora A-TPX2 protein-protein interaction exhibit in vivo efficacy as targeted anti-mitotic agent
To Be Published
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4FMM
 | | Dimeric Sec14 family homolog 3 from Saccharomyces cerevisiae presents some novel features of structure that lead to a surprising "dimer-monomer" state change induced by substrate binding | | Descriptor: | GLYCEROL, MAGNESIUM ION, Phosphatidylinositol transfer protein PDR16 | | Authors: | Yuan, Y, Zhao, W, Wang, X, Gao, Y, Niu, L, Teng, M. | | Deposit date: | 2012-06-18 | | Release date: | 2013-02-27 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Dimeric Sfh3 has structural changes in its binding pocket that are associated with a dimer-monomer state transformation induced by substrate binding.
Acta Crystallogr.,Sect.D, 69, 2013
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5YB3
 | | Crystal structure of HP23L/N36 | | Descriptor: | Envelope glycoprotein, HP23L | | Authors: | Zhang, X, Wang, X, He, Y. | | Deposit date: | 2017-09-03 | | Release date: | 2018-02-28 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.043 Å) | | Cite: | Structural Insights into the Mechanisms of Action of Short-Peptide HIV-1 Fusion Inhibitors Targeting the Gp41 Pocket
Front Cell Infect Microbiol, 8, 2018
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5YB2
 | | Crystal structure of LP-11/N44 | | Descriptor: | Envelope glycoprotein, LP-11 | | Authors: | Zhang, X, Wang, X, He, Y. | | Deposit date: | 2017-09-03 | | Release date: | 2018-02-28 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Structural Insights into the Mechanisms of Action of Short-Peptide HIV-1 Fusion Inhibitors Targeting the Gp41 Pocket
Front Cell Infect Microbiol, 8, 2018
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5YB4
 | | Crystal structure of HP23LN36KR | | Descriptor: | HP23L, N36KR | | Authors: | Zhang, X, Wang, X, He, Y. | | Deposit date: | 2017-09-03 | | Release date: | 2018-02-28 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural Insights into the Mechanisms of Action of Short-Peptide HIV-1 Fusion Inhibitors Targeting the Gp41 Pocket
Front Cell Infect Microbiol, 8, 2018
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2O2F
 | | Solution structure of the anti-apoptotic protein Bcl-2 in complex with an acyl-sulfonamide-based ligand | | Descriptor: | 4-(4-BENZYL-4-METHOXYPIPERIDIN-1-YL)-N-[(4-{[1,1-DIMETHYL-2-(PHENYLTHIO)ETHYL]AMINO}-3-NITROPHENYL)SULFONYL]BENZAMIDE, Apoptosis regulator Bcl-2 | | Authors: | Bruncko, M, Oost, T.K, Belli, B.A, Ding, H, Joseph, M.K, Kunzer, A, Martineau, D, McClellan, W.J, Mitten, M, Ng, S.C, Nimmer, P.M, Oltersdorf, T, Park, C.M, Petros, A.M, Shoemaker, A.R, Song, X, Wang, X, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H, Elmore, S.W. | | Deposit date: | 2006-11-29 | | Release date: | 2007-02-27 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Studies Leading to Potent, Dual Inhibitors of Bcl-2 and Bcl-xL.
J.Med.Chem., 50, 2007
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2O21
 | | Solution structure of the anti-apoptotic protein Bcl-2 in complex with an acyl-sulfonamide-based ligand | | Descriptor: | 3-NITRO-N-{4-[2-(2-PHENYLETHYL)-1,3-BENZOTHIAZOL-5-YL]BENZOYL}-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE, Apoptosis regulator Bcl-2 | | Authors: | Bruncko, M, Oost, T.K, Belli, B.A, Ding, H, Joseph, M.K, Kunzer, A, Martineau, D, McClellan, W.J, Mitten, M, Ng, S.C, Nimmer, P.M, Oltersdorf, T, Park, C.M, Petros, A.M, Shoemaker, A.R, Song, X, Wang, X, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H, Elmore, S.W. | | Deposit date: | 2006-11-29 | | Release date: | 2007-02-27 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Studies Leading to Potent, Dual Inhibitors of Bcl-2 and Bcl-xL.
J.Med.Chem., 50, 2007
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2O2N
 | | Solution structure of the anti-apoptotic protein Bcl-xL in complex with an acyl-sulfonamide-based ligand | | Descriptor: | 4-[4-(BIPHENYL-2-YLMETHYL)PIPERAZIN-1-YL]-N-[(4-{[1,1-DIMETHYL-2-(PHENYLTHIO)ETHYL]AMINO}-3-NITROPHENYL)SULFONYL]BENZAMIDE, Apoptosis regulator Bcl-X | | Authors: | Bruncko, M, Oost, T.K, Belli, B.A, Ding, H, Joseph, M.K, Kunzer, A, Martineau, D, McClellan, W.J, Mitten, M, Ng, S.C, Nimmer, P.M, Oltersdorf, T, Park, C.M, Petros, A.M, Shoemaker, A.R, Song, X, Wang, X, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H, Elmore, S.W. | | Deposit date: | 2006-11-30 | | Release date: | 2007-02-27 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Studies Leading to Potent, Dual Inhibitors of Bcl-2 and Bcl-xL.
J.Med.Chem., 50, 2007
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2O22
 | | Solution structure of the anti-apoptotic protein Bcl-2 in complex with an acyl-sulfonamide-based ligand | | Descriptor: | Apoptosis regulator Bcl-2, N-[(4-{[1,1-dimethyl-2-(phenylthio)ethyl]amino}-3-nitrophenyl)sulfonyl]-4-(4,4-dimethylpiperidin-1-yl)benzamide | | Authors: | Bruncko, M, Oost, T.K, Belli, B.A, Ding, H, Joseph, M.K, Kunzer, A, Martineau, D, McClellan, W.J, Mitten, M, Ng, S.C, Nimmer, P.M, Oltersdorf, T, Park, C.M, Petros, A.M, Shoemaker, A.R, Song, X, Wang, X, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H, Elmore, S.W. | | Deposit date: | 2006-11-29 | | Release date: | 2007-02-27 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Studies Leading to Potent, Dual Inhibitors of Bcl-2 and Bcl-xL.
J.Med.Chem., 50, 2007
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2O1Y
 | | Solution structure of the anti-apoptotic protein Bcl-xL in complex with an acyl-sulfonamide-based ligand | | Descriptor: | 3-NITRO-N-{4-[2-(2-PHENYLETHYL)-1,3-BENZOTHIAZOL-5-YL]BENZOYL}-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE, Apoptosis regulator Bcl-X | | Authors: | Bruncko, M, Oost, T.K, Belli, B.A, Ding, H, Joseph, M.K, Kunzer, A, Martineau, D, McClellan, W.J, Mitten, M, Ng, S.C, Nimmer, P.M, Oltersdorf, T, Park, C.M, Petros, A.M, Shoemaker, A.R, Song, X, Wang, X, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H, Elmore, S.W. | | Deposit date: | 2006-11-29 | | Release date: | 2007-02-27 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Studies Leading to Potent, Dual Inhibitors of Bcl-2 and Bcl-xL.
J.Med.Chem., 50, 2007
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2O2M
 | | Solution structure of the anti-apoptotic protein Bcl-xL in complex with an acyl-sulfonamide-based ligand | | Descriptor: | 4-(4-BENZYL-4-METHOXYPIPERIDIN-1-YL)-N-[(4-{[1,1-DIMETHYL-2-(PHENYLTHIO)ETHYL]AMINO}-3-NITROPHENYL)SULFONYL]BENZAMIDE, Apoptosis regulator Bcl-X | | Authors: | Bruncko, M, Oost, T.K, Belli, B.A, Ding, H, Joseph, M.K, Kunzer, A, Martineau, D, McClellan, W.J, Mitten, M, Ng, S.C, Nimmer, P.M, Oltersdorf, T, Park, C.M, Petros, A.M, Shoemaker, A.R, Song, X, Wang, X, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H, Elmore, S.W. | | Deposit date: | 2006-11-30 | | Release date: | 2007-02-27 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Studies Leading to Potent, Dual Inhibitors of Bcl-2 and Bcl-xL.
J.Med.Chem., 50, 2007
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2MSV
 | | Solution structure of the MLKL N-terminal domain | | Descriptor: | Mixed lineage kinase domain-like protein | | Authors: | Su, L, Rizo, J, Quade, B, Wang, H, Sun, L, Wang, X. | | Deposit date: | 2014-08-07 | | Release date: | 2014-09-24 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | A Plug Release Mechanism for Membrane Permeation by MLKL.
Structure, 22, 2014
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6IP1
 | | alpha-SNAP-SNARE subcomplex in the whole 20S complex | | Descriptor: | Alpha-soluble NSF attachment protein, Synaptosomal-associated protein 25, Syntaxin-1A, ... | | Authors: | Huang, X, Sun, S, Wang, X, Fan, F, Zhou, Q, Sui, S.F. | | Deposit date: | 2018-11-01 | | Release date: | 2019-04-24 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Mechanistic insights into the SNARE complex disassembly.
Sci Adv, 5, 2019
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6IP2
 | | NSF-D1D2 part in the whole 20S complex | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Vesicle-fusing ATPase | | Authors: | Huang, X, Sun, S, Wang, X, Fan, F, Zhou, Q, Sui, S.F. | | Deposit date: | 2018-11-01 | | Release date: | 2019-04-24 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Mechanistic insights into the SNARE complex disassembly.
Sci Adv, 5, 2019
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6IUV
 | | Crystal structure of influenza A virus H5 hemagglutinin globular head in complex with the Fab of antibody 3C11 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 3C11 Heavy Chain, 3C11 Light Chain, ... | | Authors: | Wang, P, Zuo, Y, Sun, J, Zhang, L, Wang, X. | | Deposit date: | 2018-11-30 | | Release date: | 2019-01-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.332 Å) | | Cite: | Structural and functional definition of a vulnerable site on the hemagglutinin of highly pathogenic avian influenza A virus H5N1.
J. Biol. Chem., 294, 2019
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4QDJ
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4QDK
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6IUT
 | | Crystal structure of influenza A virus H5 hemagglutinin globular head in complex with the Fab of antibody AVFluIgG01 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, AVFluIgG01 Heavy Chain, ... | | Authors: | Wang, P, Zuo, Y, Sun, J, Zhang, L, Wang, X. | | Deposit date: | 2018-11-30 | | Release date: | 2019-01-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and functional definition of a vulnerable site on the hemagglutinin of highly pathogenic avian influenza A virus H5N1.
J. Biol. Chem., 294, 2019
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5ZQZ
 | | Structure of human mitochondrial trifunctional protein, tetramer | | Descriptor: | Trifunctional enzyme subunit alpha, mitochondrial, Trifunctional enzyme subunit beta | | Authors: | Liang, K, Li, N, Dai, J, Wang, X, Liu, P, Chen, X, Wang, C, Gao, N, Xiao, J. | | Deposit date: | 2018-04-20 | | Release date: | 2018-06-20 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Cryo-EM structure of human mitochondrial trifunctional protein
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5ZRV
 | | Structure of human mitochondrial trifunctional protein, octamer | | Descriptor: | Trifunctional enzyme subunit alpha, mitochondrial, Trifunctional enzyme subunit beta | | Authors: | Liang, K, Li, N, Dai, J, Wang, X, Liu, P, Chen, X, Wang, C, Gao, N, Xiao, J. | | Deposit date: | 2018-04-25 | | Release date: | 2018-06-20 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (7.7 Å) | | Cite: | Cryo-EM structure of human mitochondrial trifunctional protein
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5YFP
 | | Cryo-EM Structure of the Exocyst Complex | | Descriptor: | Exocyst complex component EXO70, Exocyst complex component EXO84, Exocyst complex component SEC10, ... | | Authors: | Mei, K, Li, Y, Wang, S, Shao, G, Wang, J, Ding, Y, Luo, G, Yue, P, Liu, J.J, Wang, X, Dong, M.Q, Guo, W, Wang, H.W. | | Deposit date: | 2017-09-21 | | Release date: | 2018-01-31 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Cryo-EM structure of the exocyst complex
Nat. Struct. Mol. Biol., 25, 2018
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5Y14
 | | Crystal structure of LP-40/N44 | | Descriptor: | LP-40, N44 | | Authors: | Zhang, X, Wang, X, He, Y. | | Deposit date: | 2017-07-19 | | Release date: | 2017-11-08 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.762 Å) | | Cite: | Enfuvirtide (T20)-Based Lipopeptide Is a Potent HIV-1 Cell Fusion Inhibitor: Implications for Viral Entry and Inhibition
J. Virol., 91, 2017
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