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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
4MM5
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BU of 4mm5 by Molmil
Crystal structure of LeuBAT (delta13 mutant) in complex with sertraline
Descriptor: (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine, SODIUM ION, Transporter
Authors:Wang, H, Gouaux, E.
Deposit date:2013-09-08
Release date:2013-10-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis for action by diverse antidepressants on biogenic amine transporters.
Nature, 503, 2013
4MMB
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BU of 4mmb by Molmil
Crystal structure of LeuBAT (delta6 mutant) in complex with sertraline
Descriptor: (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine, SODIUM ION, Transporter, ...
Authors:Wang, H, Gouaux, E.
Deposit date:2013-09-08
Release date:2013-10-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural basis for action by diverse antidepressants on biogenic amine transporters.
Nature, 503, 2013
4MMA
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BU of 4mma by Molmil
Crystal structure of LeuBAT (delta13 mutant) in complex with clomipramine
Descriptor: 3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE, SODIUM ION, Transporter
Authors:Wang, H, Gouaux, E.
Deposit date:2013-09-08
Release date:2013-10-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural basis for action by diverse antidepressants on biogenic amine transporters.
Nature, 503, 2013
4MM6
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BU of 4mm6 by Molmil
Crystal structure of LeuBAT (delta13 mutant) in complex with (S)-duloxetine
Descriptor: (3S)-N-methyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine, SODIUM ION, Transporter
Authors:Wang, H, Gouaux, E.
Deposit date:2013-09-08
Release date:2013-10-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural basis for action by diverse antidepressants on biogenic amine transporters.
Nature, 503, 2013
4MME
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BU of 4mme by Molmil
Crystal structure of LeuBAT (delta6 mutant) in complex with mazindol
Descriptor: (5R)-5-(4-chlorophenyl)-2,5-dihydro-3H-imidazo[2,1-a]isoindol-5-ol, SODIUM ION, Transporter, ...
Authors:Wang, H, Gouaux, E.
Deposit date:2013-09-08
Release date:2013-10-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for action by diverse antidepressants on biogenic amine transporters.
Nature, 503, 2013
4MM7
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BU of 4mm7 by Molmil
Crystal structure of LeuBAT (delta13 mutant) in complex with desvenlafaxine
Descriptor: 4-[(1R)-2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol, SODIUM ION, Transporter
Authors:Wang, H, Gouaux, E.
Deposit date:2013-09-08
Release date:2013-10-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural basis for action by diverse antidepressants on biogenic amine transporters.
Nature, 503, 2013
4MMC
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BU of 4mmc by Molmil
Crystal structure of LeuBAT (delta6 mutant) in complex with desvenlafaxine
Descriptor: 4-[(1R)-2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol, SODIUM ION, Transporter, ...
Authors:Wang, H, Gouaux, E.
Deposit date:2013-09-08
Release date:2013-10-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for action by diverse antidepressants on biogenic amine transporters.
Nature, 503, 2013
4MMD
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BU of 4mmd by Molmil
Crystal structure of LeuBAT (delta6 mutant) in complex with (S)-duloxetine
Descriptor: (3S)-N-methyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine, SODIUM ION, Transporter, ...
Authors:Wang, H, Gouaux, E.
Deposit date:2013-09-08
Release date:2013-10-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for action by diverse antidepressants on biogenic amine transporters.
Nature, 503, 2013
8HEI
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BU of 8hei by Molmil
Crystal structure of CTSB in complex with E64d
Descriptor: Cathepsin B, GLYCEROL, ethyl (3S)-3-hydroxy-4-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate
Authors:Wang, H, Li, D, Sun, L, Yang, H.
Deposit date:2022-11-08
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of CTSB in complex with E64d
To Be Published
8HET
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BU of 8het by Molmil
Crystal structure of CTSL in complex with E64d
Descriptor: Procathepsin L, ethyl (3S)-3-hydroxy-4-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate
Authors:Wang, H, Shao, M, Sun, L, Yang, H.
Deposit date:2022-11-08
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of CTSB in complex with K777
To Be Published
8HD8
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BU of 8hd8 by Molmil
Crystal structure of TMPRSS2 in complex with 212-148
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, CALCIUM ION, ...
Authors:Wang, H, Liu, X, Sun, L, Yang, H.
Deposit date:2022-11-03
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of TMPRSS2 in complex with 212-148
To Be Published
8HEN
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BU of 8hen by Molmil
Crystal structure of CTSB in complex with 212-148
Descriptor: 2-[4-[[(2~{S})-1-oxidanylidene-3-phenyl-1-[[(3~{S})-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]amino]propan-2-yl]carbamoyl]piperazin-1-yl]ethyl 4-carbamimidamidobenzoate, Cathepsin B, DIMETHYL SULFOXIDE, ...
Authors:Wang, H, Li, D, Sun, L, Yang, H.
Deposit date:2022-11-08
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of CTSB in complex with 212-148
To Be Published
8HE9
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BU of 8he9 by Molmil
Crystal structure of CTSB in complex with K777
Descriptor: Cathepsin B, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Wang, H, Li, D, Sun, L, Yang, H.
Deposit date:2022-11-07
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of CTSB in complex with K777
To Be Published
8HFV
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BU of 8hfv by Molmil
Crystal structure of CTSL in complex with K777
Descriptor: CACODYLATE ION, Nalpha-[(4-methylpiperazin-1-yl)carbonyl]-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-phenylalaninamide, Procathepsin L, ...
Authors:Wang, H, Shao, M, Sun, L, Yang, H.
Deposit date:2022-11-12
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of CTSL in complex with K777
To Be Published
2H40
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BU of 2h40 by Molmil
Crystal structure of the catalytic domain of unliganded PDE5
Descriptor: MAGNESIUM ION, ZINC ION, cGMP-specific 3',5'-cyclic phosphodiesterase
Authors:Wang, H, Liu, Y, Huai, Q, Cai, J, Zoraghi, R, Francis, S.H, Corbin, J.D, Robinson, H, Xin, Z, Lin, G, Ke, H.
Deposit date:2006-05-23
Release date:2006-06-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Multiple Conformations of Phosphodiesterase-5: Implications for enzyme function and drug development
J.Biol.Chem., 281, 2006
5Z3W
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BU of 5z3w by Molmil
Malate dehydrogenase binds silver at C113
Descriptor: Malate dehydrogenase, SILVER ION
Authors:Wang, H, Wang, M, Sun, H.
Deposit date:2018-01-09
Release date:2019-01-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Atomic differentiation of silver binding preference in protein targets: Escherichia coli malate dehydrogenase as a paradigm
Chem Sci, 2020
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
8IQM
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BU of 8iqm by Molmil
Structural basis of the specificity and interaction mechanism of Bmf binding to pro-survival proteins
Descriptor: Bcl2 modifying factor, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Wang, H, Guo, M, Wei, H, Chen, Y.
Deposit date:2023-03-16
Release date:2023-08-23
Method:X-RAY DIFFRACTION (1.967 Å)
Cite:Structural basis of the specificity and interaction mechanism of Bmf binding to pro-survival Bcl-2 family proteins.
Comput Struct Biotechnol J, 21, 2023
8IQK
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BU of 8iqk by Molmil
Structural basis of the specificity and interaction mechanism of Bmf binding to pro-survival proteins
Descriptor: Bcl-2-like protein 1, Bcl-2-modifying factor
Authors:Wang, H, Guo, M, Wei, H, Chen, Y.
Deposit date:2023-03-16
Release date:2023-08-23
Method:X-RAY DIFFRACTION (2.879 Å)
Cite:Structural basis of the specificity and interaction mechanism of Bmf binding to pro-survival Bcl-2 family proteins.
Comput Struct Biotechnol J, 21, 2023
8IQL
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BU of 8iql by Molmil
Structural basis of the specificity and interaction mechanism of Bmf binding to pro-survival proteins
Descriptor: Apoptosis regulator Bcl-2, Bcl-2-modifying factor
Authors:Wang, H, Guo, M, Wei, H, Chen, Y.
Deposit date:2023-03-16
Release date:2023-08-23
Method:X-RAY DIFFRACTION (2.9577 Å)
Cite:Structural basis of the specificity and interaction mechanism of Bmf binding to pro-survival Bcl-2 family proteins.
Comput Struct Biotechnol J, 21, 2023
2H42
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BU of 2h42 by Molmil
Crystal structure of PDE5 in complex with sildenafil
Descriptor: 5-{2-ETHOXY-5-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-1-METHYL-3-PROPYL-1H,6H,7H-PYRAZOLO[4,3-D]PYRIMIDIN-7-ONE, MAGNESIUM ION, ZINC ION, ...
Authors:Wang, H, Ke, H.
Deposit date:2006-05-23
Release date:2006-06-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Multiple Conformations of Phosphodiesterase-5: Implications for enzyme function and drug development
J.Biol.Chem., 281, 2006
2H44
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BU of 2h44 by Molmil
Crystal structure of PDE5A1 in complex with icarisid II
Descriptor: 5,7-DIHYDROXY-2-(4-METHOXYPHENYL)-8-(3-METHYLBUTYL)-4-OXO-4H-CHROMEN-3-YL 6-DEOXY-ALPHA-L-MANNOPYRANOSIDE, MAGNESIUM ION, ZINC ION, ...
Authors:Wang, H, Ke, H.
Deposit date:2006-05-23
Release date:2006-06-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Multiple Conformations of Phosphodiesterase-5: Implications for enzyme function and drug development
J.Biol.Chem., 281, 2006

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