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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

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

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

5J0F

Monomeric Human Cu,Zn Superoxide dismutase, loops IV and VII deleted, apo form, circular permutant P4/5
Descriptor:	GLYCEROL, Superoxide dismutase [Cu-Zn],OXIDOREDUCTASE,Superoxide dismutase [Cu-Zn]
Authors:	Wang, H, Lang, L, Logan, D, Danielsson, J, Oliveberg, M.
Deposit date:	2016-03-28
Release date:	2017-02-01
Last modified:	2024-01-10
Method:	X-RAY DIFFRACTION (1.25 Å)
Cite:	Tricking a Protein To Swap Strands. J. Am. Chem. Soc., 138, 2016

5J0G

Monomeric Human Cu,Zn Superoxide dismutase, loops IV and VII deleted, apo form, circular permutant P7/8
Descriptor:	OXIDOREDUCTASE,Superoxide dismutase [Cu-Zn]
Authors:	Wang, H, Lang, L, Logan, D, Danielsson, J, Oliveberg, M.
Deposit date:	2016-03-28
Release date:	2017-02-01
Last modified:	2024-01-10
Method:	X-RAY DIFFRACTION (2.5 Å)
Cite:	Tricking a Protein To Swap Strands. J. Am. Chem. Soc., 138, 2016

5J07

Monomeric Human Cu,Zn Superoxide dismutase, loops IV and VII deleted, apo form, circular permutant P1/2
Descriptor:	Superoxide dismutase [Cu-Zn],Superoxide dismutase [Cu-Zn],Superoxide dismutase [Cu-Zn],Superoxide dismutase [Cu-Zn]
Authors:	Wang, H, Lang, L, Logan, D, Danielsson, J, Oliveberg, M.
Deposit date:	2016-03-27
Release date:	2017-02-01
Last modified:	2024-01-10
Method:	X-RAY DIFFRACTION (2 Å)
Cite:	Tricking a Protein To Swap Strands. J. Am. Chem. Soc., 138, 2016

5J0C

Monomeric Human Cu,Zn Superoxide dismutase, loops IV and VII deleted, apo form, circular permutant P2/3
Descriptor:	Superoxide dismutase [Cu-Zn],Superoxide dismutase [Cu-Zn],OXIDOREDUCTASE,Superoxide dismutase [Cu-Zn]
Authors:	Wang, H, Lang, L, Logan, D, Danielsson, J, Oliveberg, M.
Deposit date:	2016-03-28
Release date:	2017-02-01
Last modified:	2024-01-10
Method:	X-RAY DIFFRACTION (1.6 Å)
Cite:	Tricking a Protein To Swap Strands. J. Am. Chem. Soc., 138, 2016

2F5H

Solution structure of the alpha-domain of human Metallothionein-3
Descriptor:	CADMIUM ION, Metallothionein-3
Authors:	Wang, H, Zhang, Q, Cai, B, Li, H.Y, Sze, K.H, Huang, Z.X, Wu, H.M, Sun, H.Z.
Deposit date:	2005-11-25
Release date:	2006-05-30
Last modified:	2024-05-29
Method:	SOLUTION NMR
Cite:	Solution structure and dynamics of human metallothionein-3 (MT-3) Febs Lett., 580, 2006

7CGC

Silver-bound E. coli Malate dehydrogenase (C113 and C251)
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 (2.548 Å)
Cite:	Atomic differentiation of silver binding preference in protein targets: Escherichia coli malate dehydrogenase as a paradigm. Chem Sci, 11, 2020

9KPI

Aromatic acetyl piperidine derivatives as soluble epoxide hydrolase inhibitor
Descriptor:	1-[1-[2-(3,5-dimethoxyphenyl)ethanoyl]piperidin-4-yl]-3-[[4-(trifluoromethyloxy)phenyl]methyl]urea, Bifunctional epoxide hydrolase 2, MAGNESIUM ION, ...
Authors:	Wang, H, Feng, Y, Du, X.Y.
Deposit date:	2024-11-22
Release date:	2025-04-16
Method:	X-RAY DIFFRACTION (2.4 Å)
Cite:	Aromatic acetyl piperidine derivatives as soluble epoxide hydrolase inhibitor To Be Published

7CB2

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

5W2G

Crystal structure of the core catalytic domain of human inositol phosphate multikinase
Descriptor:	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 (1.8 Å)
Cite:	Structural features of human inositol phosphate multikinase rationalize its inositol phosphate kinase and phosphoinositide 3-kinase activities. J. Biol. Chem., 292, 2017

5VIY

BG505 SOSIP.664 in complex with broadly neutralizing antibodies BG1 and 8ANC195
Descriptor:	2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 8ANC195 G52K5 Fab heavy chain, ...
Authors:	Wang, H, Bjorkman, P.J.
Deposit date:	2017-04-17
Release date:	2017-06-21
Last modified:	2024-11-06
Method:	ELECTRON MICROSCOPY (6.2 Å)
Cite:	Asymmetric recognition of HIV-1 Envelope trimer by V1V2 loop-targeting antibodies. Elife, 6, 2017

8V6Z

Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with compound 4
Descriptor:	(5P)-3-(3,5-dimethylphenyl)-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 (1.85 Å)
Cite:	Structure-based development of IPMK kinase inhibitors. To Be Published

8V77

Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with compound 13
Descriptor:	(3P,5P)-3-{3-[(piperidin-4-yl)oxy]phenyl}-5-(2H-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 (1.95 Å)
Cite:	Structure-based development of IPMK kinase inhibitors. To Be Published

8V73

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

8V71

Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with compound 7
Descriptor:	(5M)-5-(1H-tetrazol-5-yl)-3-[4-(trifluoromethyl)phenyl]-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 (1.7 Å)
Cite:	Structure-based development of IPMK kinase inhibitors. To Be Published

8V6X

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

8V79

Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with compound 15
Descriptor:	(3P,5M)-3-[3-(1-cyclobutylpiperidin-4-yl)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 (1.95 Å)
Cite:	Structure-based development of IPMK kinase inhibitors. To Be Published

8V6W

Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with compound 1
Descriptor:	(2E)-3-[3-(3,5-dimethylphenyl)-2,1-benzoxazol-5-yl]prop-2-enoic acid, Inositol polyphosphate multikinase
Authors:	Wang, H, Shears, S.B.
Deposit date:	2023-12-04
Release date:	2024-12-11
Method:	X-RAY DIFFRACTION (1.95 Å)
Cite:	Structure-based development of IPMK kinase inhibitors. To Be Published

8V72

Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with compound 8
Descriptor:	(5P)-5-(1H-tetrazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-2,1-benzoxazole, Inositol polyphosphate multikinase, SULFATE ION
Authors:	Wang, H, Shears, S.B.
Deposit date:	2023-12-04
Release date:	2024-12-11
Method:	X-RAY DIFFRACTION (2 Å)
Cite:	Structure-based development of IPMK kinase inhibitors. To Be Published

8V70

Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with compound 6
Descriptor:	(5P)-3-phenyl-5-(1H-tetrazol-5-yl)-2,1-benzoxazole, Inositol polyphosphate multikinase, 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

8V75

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

8H1L

Crystal structure of glucose-2-epimerase in complex with D-Glucitol from Runella slithyformis Runsl_4512
Descriptor:	N-acylglucosamine 2-epimerase, sorbitol
Authors:	Wang, H, Sun, X.M, Saburi, W, Yu, J, Yao, M.
Deposit date:	2022-10-03
Release date:	2023-07-12
Last modified:	2023-11-29
Method:	X-RAY DIFFRACTION (2.33 Å)
Cite:	Structural insights into the substrate specificity and activity of a novel mannose 2-epimerase from Runella slithyformis. Acta Crystallogr D Struct Biol, 79, 2023

8H1K

Crystal structure of glucose-2-epimerase from Runella slithyformis Runsl_4512
Descriptor:	FORMIC ACID, GLYCEROL, N-acylglucosamine 2-epimerase
Authors:	Wang, H, Sun, X.M, Saburi, W, Yu, J, Yao, M.
Deposit date:	2022-10-03
Release date:	2023-07-12
Last modified:	2023-11-29
Method:	X-RAY DIFFRACTION (1.6 Å)
Cite:	Structural insights into the substrate specificity and activity of a novel mannose 2-epimerase from Runella slithyformis. Acta Crystallogr D Struct Biol, 79, 2023

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