3T9D
 
 | | Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with AMPPNP and 5-(PP)-IP5 (5-IP7) | | Descriptor: | (1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, Inositol Pyrophosphate Kinase, MAGNESIUM ION, ... | | Authors: | Wang, H, Falck, J, Hall, T.M.T, Shears, S.B. | | Deposit date: | 2011-08-02 | | Release date: | 2011-12-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural basis for an inositol pyrophosphate kinase surmounting phosphate crowding.
Nat.Chem.Biol., 8, 2011
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3T9B
 | | Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with AMPPNP at pH 5.2 | | Descriptor: | Inositol Pyrophosphate Kinase, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Wang, H, Falck, J, Hall, T.M.T, Shears, S.B. | | Deposit date: | 2011-08-02 | | Release date: | 2011-12-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural basis for an inositol pyrophosphate kinase surmounting phosphate crowding.
Nat.Chem.Biol., 8, 2011
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3T7A
 | | Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with ADP at pH 5.2 | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Wang, H, Falck, J, Hall, T.M.T, Shears, S.B. | | Deposit date: | 2011-07-29 | | Release date: | 2011-12-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural basis for an inositol pyrophosphate kinase surmounting phosphate crowding.
Nat.Chem.Biol., 8, 2011
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3T9F
 | | Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with ADP and 1,5-(PP)2-IP4 (1,5-IP8) | | Descriptor: | (1R,3S,4R,5S,6R)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)], ADENOSINE-5'-DIPHOSPHATE, CADMIUM ION, ... | | Authors: | Wang, H, Falck, J, Hall, T.M.T, Shears, S.B. | | Deposit date: | 2011-08-02 | | Release date: | 2011-12-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for an inositol pyrophosphate kinase surmounting phosphate crowding.
Nat.Chem.Biol., 8, 2011
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7F3B
 | | cocrystallization of Escherichia coli dihydrofolate reductase (DHFR) and its pyrrolo[3,2-f]quinazoline inhibitor. | | Descriptor: | 7-[(2-fluorophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine, Dihydrofolate reductase, GLYCEROL | | Authors: | Wang, H, You, X.F, Yang, X.Y, Li, Y, Hong, W. | | Deposit date: | 2021-06-16 | | Release date: | 2022-04-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | The discovery of 1, 3-diamino-7H-pyrrol[3, 2-f]quinazoline compounds as potent antimicrobial antifolates.
Eur.J.Med.Chem., 228, 2022
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3T54
 | | Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with ATP and Cadmium | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CADMIUM ION, Inositol Pyrophosphate Kinase | | Authors: | Wang, H, Falck, J, Hall, T.M.T, Shears, S.B. | | Deposit date: | 2011-07-26 | | Release date: | 2011-12-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis for an inositol pyrophosphate kinase surmounting phosphate crowding.
Nat.Chem.Biol., 8, 2011
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3T9C
 | | Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with AMPPNP and inositol hexakisphosphate (IP6) | | Descriptor: | INOSITOL HEXAKISPHOSPHATE, Inositol Pyrophosphate Kinase, MAGNESIUM ION, ... | | Authors: | Wang, H, Falck, J, Hall, T.M.T, Shears, S.B. | | Deposit date: | 2011-08-02 | | Release date: | 2011-12-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis for an inositol pyrophosphate kinase surmounting phosphate crowding.
Nat.Chem.Biol., 8, 2011
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3T9A
 | | Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with AMPPNP at pH 7.0 | | Descriptor: | CADMIUM ION, Inositol Pyrophosphate Kinase, MAGNESIUM ION, ... | | Authors: | Wang, H, Falck, J, Hall, T.M.T, Shears, S.B. | | Deposit date: | 2011-08-02 | | Release date: | 2011-12-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis for an inositol pyrophosphate kinase surmounting phosphate crowding.
Nat.Chem.Biol., 8, 2011
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4NND
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4O4D
 | | Crystal Structure of an Inositol hexakisphosphate kinase EhIP6KA in complexed with ATP and Ins(1,4,5)P3 | | Descriptor: | ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, ... | | Authors: | Wang, H, Shears, S.B. | | Deposit date: | 2013-12-18 | | Release date: | 2014-06-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | IP6K structure and the molecular determinants of catalytic specificity in an inositol phosphate kinase family.
Nat Commun, 5, 2014
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4NZM
 | | Crystal structure of the catalytic domain of PPIP5K2 in complex with AMPPNP and 5-PA-InsP5 | | Descriptor: | (2-oxo-2-{[(1s,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]oxy}ethyl)phosphonic acid, Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2, MAGNESIUM ION, ... | | Authors: | Wang, H, Shears, S.B. | | Deposit date: | 2013-12-12 | | Release date: | 2014-04-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Synthetic Inositol Phosphate Analogs Reveal that PPIP5K2 Has a Surface-Mounted Substrate Capture Site that Is a Target for Drug Discovery.
Chem.Biol., 21, 2014
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4O4C
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4O4F
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4NZO
 | | Crystal structure of the catalytic domain of PPIP5K2 in complex with AMPPNP and 2,5-DI-O-BN-INSP4 | | Descriptor: | (1R,2R,3r,4S,5S,6s)-3,6-bis(benzyloxy)cyclohexane-1,2,4,5-tetrayl tetrakis[dihydrogen (phosphate)], Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2, MAGNESIUM ION, ... | | Authors: | Wang, H, Shears, S.B. | | Deposit date: | 2013-12-12 | | Release date: | 2014-04-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Synthetic Inositol Phosphate Analogs Reveal that PPIP5K2 Has a Surface-Mounted Substrate Capture Site that Is a Target for Drug Discovery.
Chem.Biol., 21, 2014
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6BYF
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6CM3
 | | BG505 SOSIP in complex with sCD4, 17b, 8ANC195 | | Descriptor: | 17b Fab heavy chain, 17b Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Wang, H, Bjorkman, P.J. | | Deposit date: | 2018-03-02 | | Release date: | 2018-10-17 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.54 Å) | | Cite: | Partially Open HIV-1 Envelope Structures Exhibit Conformational Changes Relevant for Coreceptor Binding and Fusion.
Cell Host Microbe, 24, 2018
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6LIV
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7CGC
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6LNQ
 | | The co-crystal structure of SARS-CoV 3C Like Protease with aldehyde inhibitor M7 | | Descriptor: | N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-1H-indole-2-carboxamide, Severe Acute Respiratory Syndrome Coronavirus 3c Like Protease | | Authors: | Wang, H, Shang, L.Q. | | Deposit date: | 2020-01-01 | | Release date: | 2020-05-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.244 Å) | | Cite: | Comprehensive Insights into the Catalytic Mechanism of Middle East Respiratory Syndrome 3C-Like Protease and Severe Acute Respiratory Syndrome 3C-Like Protease.
Acs Catalysis, 10, 2020
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6LO0
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6LNY
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6LK6
 | | MLKL mutant - T357AS358A | | Descriptor: | Mixed lineage kinase domain-like protein | | Authors: | Wang, H, Li, S, Zhang, Y. | | Deposit date: | 2019-12-18 | | Release date: | 2020-12-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | The MLKL kinase-like domain dimerization is an indispensable step of mammalian MLKL activation in necroptosis signaling.
Cell Death Dis, 12, 2021
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8H3G
 | | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) E166V Mutant in Complex with Inhibitor Enstrelvir | | Descriptor: | 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, GLYCEROL | | Authors: | Wang, H, Lin, M, Duan, Y, Zhang, X, Zhou, H, Bian, Q, Liu, X, Rao, Z, Yang, H. | | Deposit date: | 2022-10-08 | | Release date: | 2023-10-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
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8H3L
 | | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) Double Mutant (T21I and E166V) in Complex with Inhibitor Enstrelvir | | Descriptor: | 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione | | Authors: | Wang, H, Lin, M, Duan, Y, Zhang, X, Zhou, H, Bian, Q, Liu, X, Rao, Z, Yang, H. | | Deposit date: | 2022-10-08 | | Release date: | 2023-10-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
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8H3K
 | | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) Double Mutant (L50F and E166V) in Complex with Inhibitor Enstrelvir | | Descriptor: | 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM, 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, ... | | Authors: | Wang, H, Lin, M, Duan, Y, Zhang, X, Zhou, H, Bian, Q, Liu, X, Rao, Z, Yang, H. | | Deposit date: | 2022-10-08 | | Release date: | 2023-10-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
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