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4FY0
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BU of 4fy0 by Molmil
Crystal structure of LeuT-F253A bound to L-selenomethionine from lipid bicelles
Descriptor: SELENOMETHIONINE, SODIUM ION, Transporter
Authors:Wang, H, Gouaux, E.
Deposit date:2012-07-03
Release date:2012-08-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3 Å)
Cite:Substrate binds in the S1 site of the F253A mutant of LeuT, a neurotransmitter sodium symporter homologue.
Embo Rep., 13, 2012
7CB0
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BU of 7cb0 by Molmil
The apo 6-phosphogluconate dehydrogenase from Staphylococcus aureus (strain Newman)
Descriptor: 6-phosphogluconate dehydrogenase, decarboxylating
Authors:Wang, H, Wang, M, Sun, H.
Deposit date:2020-06-10
Release date:2021-04-07
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Multi-target mode of action of silver against Staphylococcus aureus endows it with capability to combat antibiotic resistance.
Nat Commun, 12, 2021
7CB5
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BU of 7cb5 by Molmil
The 6-phosphogluconate dehydrogenase from Staphylococcus aureus (6-phosphogluconate bound)
Descriptor: 6-PHOSPHOGLUCONIC ACID, 6-phosphogluconate dehydrogenase, decarboxylating
Authors:Wang, H, Wang, M, Sun, H.
Deposit date:2020-06-10
Release date:2021-04-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Multi-target mode of action of silver against Staphylococcus aureus endows it with capability to combat antibiotic resistance.
Nat Commun, 12, 2021
7CB6
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BU of 7cb6 by Molmil
The silver-bound 6-phosphogluconate dehydrogenase from Staphylococcus aureus (strain Newman)
Descriptor: 6-phosphogluconate dehydrogenase, decarboxylating, SILVER ION
Authors:Wang, H, Wang, M, Sun, H.
Deposit date:2020-06-10
Release date:2021-04-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Multi-target mode of action of silver against Staphylococcus aureus endows it with capability to combat antibiotic resistance.
Nat Commun, 12, 2021
4FXZ
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BU of 4fxz by Molmil
Crystal structure of LeuT-F253A bound to L-leucine from lipid bicelles
Descriptor: ACETATE ION, LEUCINE, SODIUM ION, ...
Authors:Wang, H, Gouaux, E.
Deposit date:2012-07-03
Release date:2012-08-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.601 Å)
Cite:Substrate binds in the S1 site of the F253A mutant of LeuT, a neurotransmitter sodium symporter homologue.
Embo Rep., 13, 2012
2PW3
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BU of 2pw3 by Molmil
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
7CGD
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BU of 7cgd by Molmil
Silver-bound E.coli malate dehydrogenase
Descriptor: Malate dehydrogenase, SILVER ION
Authors:Wang, H, Wang, M, Sun, H.
Deposit date:2020-07-01
Release date:2020-09-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Atomic differentiation of silver binding preference in protein targets: Escherichia coli malate dehydrogenase as a paradigm.
Chem Sci, 11, 2020
7CB2
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BU of 7cb2 by Molmil
The 6-phosphogluconate dehydrogenase (NADP-bound) from Staphylococcus aureus
Descriptor: 6-phosphogluconate dehydrogenase, decarboxylating, CITRIC ACID, ...
Authors:Wang, H, Wang, M, Sun, H.
Deposit date:2020-06-10
Release date:2021-06-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The 6-phosphogluconate dehydrogenase (NADP-bound) structures from Staphylococcus aureus
To Be Published
5F18
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BU of 5f18 by Molmil
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:2024-11-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Ebola Viral Glycoprotein Bound to Its Endosomal Receptor Niemann-Pick C1.
Cell, 164, 2016
5F1B
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BU of 5f1b by Molmil
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
4O4D
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BU of 4o4d by Molmil
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
8BZN
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BU of 8bzn by Molmil
SARS-CoV-2 non-structural protein 10 (nsp10) variant T102I
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, Replicase polyprotein 1ab, ...
Authors:Wang, H, Rizvi, S.R.A, Dong, D, Lou, J, Wang, Q, Sopipong, W, Najar, F, Agarwal, P.K, Kozielski, F, Haider, S.
Deposit date:2022-12-15
Release date:2023-12-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Emerging variants of SARS-CoV-2 NSP10 highlight strong functional conservation of its binding to two non-structural proteins, NSP14 and NSP16.
Elife, 12, 2023
4NZM
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BU of 4nzm by Molmil
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
4O4F
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BU of 4o4f by Molmil
Crystal Structure of an Inositol hexakisphosphate kinase EhIP6KA in complexed with ATP and InsP6
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, Inositol hexakisphosphate kinase, ...
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 (1.7 Å)
Cite:IP6K structure and the molecular determinants of catalytic specificity in an inositol phosphate kinase family.
Nat Commun, 5, 2014
4O4C
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BU of 4o4c by Molmil
Crystal Structure of an Inositol hexakisphosphate kinase apo-EhIP6KA
Descriptor: Inositol hexakisphosphate kinase
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 (2.2 Å)
Cite:IP6K structure and the molecular determinants of catalytic specificity in an inositol phosphate kinase family.
Nat Commun, 5, 2014
4NND
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BU of 4nnd by Molmil
Structural basis of PTPN18 fingerprint on distinct HER2 tyrosine phosphorylation sites
Descriptor: Receptor tyrosine-protein kinase erbB-2, Tyrosine-protein phosphatase non-receptor type 18
Authors:Wang, H, Yang, F, Yang, D, Du, Y.
Deposit date:2013-11-17
Release date:2014-11-19
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:Structural basis of PTPN18 fingerprint on distinct HER2 tyrosine phosphorylation sites
To be Published
5YXA
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BU of 5yxa by Molmil
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:2024-11-06
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
4NZO
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BU of 4nzo by Molmil
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
4O4B
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BU of 4o4b by Molmil
Crystal Structure of an Inositol hexakisphosphate kinase EhIP6KA as a fusion protein with maltose binding protein
Descriptor: Extracellular solute-binding protein family 1, Inositol hexakisphosphate kinase
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 (1.8 Å)
Cite:IP6K structure and the molecular determinants of catalytic specificity in an inositol phosphate kinase family.
Nat Commun, 5, 2014
4NZN
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BU of 4nzn by Molmil
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
4O4E
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BU of 4o4e by Molmil
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
8V78
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BU of 8v78 by Molmil
Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with compound 14
Descriptor: (3P,5M)-3-{3-[(3,5-dichloropyridin-2-yl)oxy]phenyl}-5-(1H-tetrazol-5-yl)-2,1-benzoxazole, Inositol polyphosphate multikinase
Authors:Wang, H, Shears, S.B.
Deposit date:2023-12-04
Release date:2024-12-11
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structure-based development of IPMK kinase inhibitors.
To Be Published
8V75
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BU of 8v75 by Molmil
Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with compound 11
Descriptor: Inositol polyphosphate multikinase, N-{(3P)-3-[(5P)-5-(2H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl}cyclopropanecarboxamide, SULFATE ION
Authors:Wang, H, Shears, S.B.
Deposit date:2023-12-04
Release date:2024-12-11
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-based development of IPMK kinase inhibitors.
To Be Published
8V73
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BU of 8v73 by Molmil
Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with compound 9
Descriptor: (5P)-3-(4-phenoxyphenyl)-5-(1H-tetrazol-5-yl)-2,1-benzoxazole, Inositol polyphosphate multikinase
Authors:Wang, H, Shears, S.B.
Deposit date:2023-12-04
Release date:2024-12-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-based development of IPMK kinase inhibitors.
To Be Published
8V6X
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BU of 8v6x by Molmil
Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with compound 2
Descriptor: (1S,2S)-2-[3-(3,5-dimethylphenyl)-2,1-benzoxazol-5-yl]cyclopropane-1-carboxylic acid, Inositol polyphosphate multikinase
Authors:Wang, H, Shears, S.B.
Deposit date:2023-12-04
Release date:2024-12-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure-based development of IPMK kinase inhibitors.
To Be Published

238895

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