2PW3
 
 | | Structure of the PDE4D-cAMP complex | | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, ZINC ION, cAMP-specific 3',5'-cyclic phosphodiesterase 4D | | Authors: | Wang, H, Robinson, H, Ke, H. | | Deposit date: | 2007-05-10 | | Release date: | 2007-10-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | The molecular basis for different recognition of substrates by phosphodiesterase families 4 and 10.
J.Mol.Biol., 371, 2007
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2ZWV
 | | Crystal structure of Thermus thermophilus 16S rRNA methyltransferase RsmC (TTHA0533) | | Descriptor: | Probable ribosomal RNA small subunit methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Wang, H, Kawazoe, M, Kaminishi, T, Tatsuguchi, A, Naoe, C, Terada, T, Shirouzu, M, Takemoto, C, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2008-12-18 | | Release date: | 2009-12-22 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of Thermus thermophilus 16S rRNA methyltransferase RsmC (TTHA0533)
to be published
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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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4O4F
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4O4C
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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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4NND
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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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4O4B
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4NZN
 | | Crystal structure of the catalytic domain of PPIP5K2 in complex with AMPPNP and 2-O-BN-5-PA-INSP4 | | Descriptor: | (2-{[(1s,2R,3R,4r,5S,6S)-4-(benzyloxy)-2,3,5,6-tetrakis(phosphonooxy)cyclohexyl]oxy}-2-oxoethyl)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 (1.75 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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4O4E
 | | Crystal Structure of an Inositol hexakisphosphate kinase EhIP6KA in complexed with ATP and Ins(1,3,4,5,6)P5 | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Inositol hexakisphosphate kinase, MAGNESIUM ION, ... | | 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 (1.9 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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5F1B
 | | Structural basis of Ebola virus entry: viral glycoprotein bound to its endosomal receptor Niemann-Pick C1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GP1, GP2, ... | | Authors: | Wang, H, Shi, Y, Song, J, Qi, J, Lu, G, Yan, J, Gao, G.F. | | Deposit date: | 2015-11-30 | | Release date: | 2016-01-20 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Ebola Viral Glycoprotein Bound to Its Endosomal Receptor Niemann-Pick C1.
Cell, 164, 2016
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5F18
 | | Structural basis of Ebola virus entry: viral glycoprotein bound to its endosomal receptor Niemann-Pick C1 | | Descriptor: | Niemann-Pick C1 protein | | Authors: | Wang, H, Shi, Y, Song, J, Qi, J, Lu, G, Yan, J, Gao, G.F. | | Deposit date: | 2015-11-30 | | Release date: | 2016-01-20 | | Last modified: | 2016-01-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Ebola Viral Glycoprotein Bound to Its Endosomal Receptor Niemann-Pick C1.
Cell, 164, 2016
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4Q4C
 | | Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with ADP and synthetic 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, Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2, ... | | Authors: | Wang, H, Shears, S.B. | | Deposit date: | 2014-04-14 | | Release date: | 2014-08-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Synthesis of Densely Phosphorylated Bis-1,5-Diphospho-myo-Inositol Tetrakisphosphate and its Enantiomer by Bidirectional P-Anhydride Formation.
Angew.Chem.Int.Ed.Engl., 53, 2014
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4Q4D
 | | Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with AMP-PNP and synthetic 3,5-(PP)2-IP4 (3,5-IP8) | | Descriptor: | (1R,3S,4S,5R,6S)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)], Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2, MAGNESIUM ION, ... | | Authors: | Wang, H, Shears, S.B. | | Deposit date: | 2014-04-14 | | Release date: | 2014-08-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Synthesis of Densely Phosphorylated Bis-1,5-Diphospho-myo-Inositol Tetrakisphosphate and its Enantiomer by Bidirectional P-Anhydride Formation.
Angew.Chem.Int.Ed.Engl., 53, 2014
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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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6N5C
 | | Crystal structure of the catalytic domain of PPIP5K2 in complex with AMPPNP and 5-PCF2Am-InsP5 | | Descriptor: | (1,1-difluoro-2-oxo-2-{[(1s,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]amino}ethyl)phosphonic acid, 1,2-ETHANEDIOL, ACETATE ION, ... | | Authors: | Wang, H, Shears, S.B, Riley, A, Potter, B. | | Deposit date: | 2018-11-21 | | Release date: | 2019-08-21 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Synthesis of an alpha-phosphono-alpha , alpha-difluoroacetamide analogue of the diphosphoinositol pentakisphosphate 5-InsP7.
Medchemcomm, 10, 2019
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6HBB
 | | Crystal Structure of the small subunit-like domain 1 of CcmM from Synechococcus elongatus (strain PCC 7942) | | Descriptor: | Carbon dioxide concentrating mechanism protein CcmM, SULFATE ION | | Authors: | Wang, H, Yan, X, Aigner, H, Bracher, A, Nguyen, N.D, Hee, W.Y, Long, B.M, Price, G.D, Hartl, F.U, Hayer-Hartl, M. | | Deposit date: | 2018-08-10 | | Release date: | 2018-12-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Rubisco condensate formation by CcmM in beta-carboxysome biogenesis.
Nature, 566, 2019
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6HBC
 | | Structure of the repeat unit in the network formed by CcmM and Rubisco from Synechococcus elongatus | | Descriptor: | Carbon dioxide concentrating mechanism protein CcmM, Ribulose 1,5-bisphosphate carboxylase small subunit, Ribulose bisphosphate carboxylase large chain | | Authors: | Wang, H, Yan, X, Aigner, H, Bracher, A, Nguyen, N.D, Hee, W.Y, Long, B.M, Price, G.D, Hartl, F.U, Hayer-Hartl, M. | | Deposit date: | 2018-08-10 | | Release date: | 2018-12-12 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (2.78 Å) | | Cite: | Rubisco condensate formation by CcmM in beta-carboxysome biogenesis.
Nature, 566, 2019
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