4NND
 
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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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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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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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6KA0
 | | Silver-bound E.coli Malate dehydrogenase | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Malate dehydrogenase, SILVER ION | | Authors: | Wang, H, Wang, M, Sun, H. | | Deposit date: | 2019-06-19 | | Release date: | 2020-06-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | MDH is a major silver target in E. coli
To Be Published
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6KA1
 | | E.coli Malate dehydrogenase | | Descriptor: | Malate dehydrogenase | | Authors: | Wang, H, Wang, M, Sun, H. | | Deposit date: | 2019-06-19 | | Release date: | 2020-06-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.543 Å) | | Cite: | MDH is a major silver target in E. coli
To Be Published
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5W2I
 | | Crystal structure of the core catalytic domain of human inositol phosphate multikinase soaked with C4-analogue of PtdIns(4,5)P2 and ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Inositol polyphosphate multikinase,Inositol polyphosphate multikinase, ... | | Authors: | Wang, H, Shears, S.B. | | Deposit date: | 2017-06-06 | | Release date: | 2017-09-13 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural features of human inositol phosphate multikinase rationalize its inositol phosphate kinase and phosphoinositide 3-kinase activities.
J. Biol. Chem., 292, 2017
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5W2G
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5W2H
 | | Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with Ins(1,4,5)P3 and ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Inositol polyphosphate multikinase,Inositol polyphosphate multikinase, ... | | Authors: | Wang, H, Shears, S.B. | | Deposit date: | 2017-06-06 | | Release date: | 2017-09-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural features of human inositol phosphate multikinase rationalize its inositol phosphate kinase and phosphoinositide 3-kinase activities.
J. Biol. Chem., 292, 2017
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5VJ6
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5VIY
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7XYD
 | | Crystal structure of TMPRSS2 in complex with Nafamostat | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, CALCIUM ION, ... | | Authors: | Wang, H, Liu, X, Duan, Y, Liu, X, Sun, L, Yang, H. | | Deposit date: | 2022-06-01 | | Release date: | 2023-12-06 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
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7Y0F
 | | Crystal structure of TMPRSS2 in complex with UK-371804 | | Descriptor: | 2-[(1-carbamimidamido-4-chloranyl-isoquinolin-7-yl)sulfonylamino]-2-methyl-propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Wang, H, Duan, Y, Liu, X, Sun, L, Yang, H. | | Deposit date: | 2022-06-04 | | Release date: | 2023-12-06 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
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7Y0E
 | | Crystal structure of TMPRSS2 in complex with Camostat | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, CALCIUM ION, ... | | Authors: | Wang, H, Duan, Y, Liu, X, Sun, L, Yang, H. | | Deposit date: | 2022-06-04 | | Release date: | 2023-12-06 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
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5YXA
 | | Crystal structure of the C-terminal fragment of NS1 protein from yellow fever virus | | Descriptor: | Non-structural protein 1 | | Authors: | Wang, H, Song, H, Qi, J, Shi, Y, Gao, G.F. | | Deposit date: | 2017-12-04 | | Release date: | 2018-01-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of the C-terminal fragment of NS1 protein from yellow fever virus.
Sci China Life Sci, 60, 2017
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7EOQ
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7EOT
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7EOU
 | | Structure of the human GluN1/GluN2A NMDA receptor in the glycine/glutamate/GNE-6901/9-AA bound state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-[(4-fluoranylphenoxy)methyl]-3-[(1~{R},2~{R})-2-(hydroxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one, 9-AMINOACRIDINE, ... | | Authors: | Wang, H, Zhu, S. | | Deposit date: | 2021-04-22 | | Release date: | 2021-06-30 | | Last modified: | 2021-08-18 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Gating mechanism and a modulatory niche of human GluN1-GluN2A NMDA receptors.
Neuron, 109, 2021
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7EOS
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7EOR
 | | Structure of the human GluN1/GluN2A NMDA receptor in the glycine/glutamate/GNE-6901 bound state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-[(4-fluoranylphenoxy)methyl]-3-[(1~{R},2~{R})-2-(hydroxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one, Glutamate receptor ionotropic, ... | | Authors: | Wang, H, Zhu, S. | | Deposit date: | 2021-04-22 | | Release date: | 2021-06-30 | | Last modified: | 2021-08-18 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Gating mechanism and a modulatory niche of human GluN1-GluN2A NMDA receptors.
Neuron, 109, 2021
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5YQN
 | | Crystal structure of Sirt2 in complex with selective inhibitor L55 | | Descriptor: | DI(HYDROXYETHYL)ETHER, N-[3-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide, NAD-dependent protein deacetylase sirtuin-2, ... | | Authors: | Wang, H, Yu, Y, Li, G, Chen, Q. | | Deposit date: | 2017-11-07 | | Release date: | 2018-10-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | X-ray crystal structure guided discovery of new selective, substrate-mimicking sirtuin 2 inhibitors that exhibit activities against non-small cell lung cancer cells.
Eur J Med Chem, 155, 2018
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