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8JZL
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BU of 8jzl by Molmil
CryoEM structure of the Salmonella effector inositol phosphate phosphatase SopB
Descriptor: Inositol phosphate phosphatase SopB
Authors:Jiang, W.X, Cheng, X.Q, Wu, M, Ma, L.X.
Deposit date:2023-07-05
Release date:2024-07-10
Method:ELECTRON MICROSCOPY (2.62 Å)
Cite:CryoEM structure of the Salmonella effector inositol phosphate phosphatase SopB
To Be Published
8K04
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BU of 8k04 by Molmil
CryoEM structure of a 2,3-hydroxycinnamic acid 1,2-dioxygenase MhpB in apo form
Descriptor: 2,3-dihydroxyphenylpropionate/2,3-dihydroxicinnamic acid 1,2-dioxygenase
Authors:Jiang, W.X, Cheng, X.Q, Ma, L.X, Xing, Q.
Deposit date:2023-07-07
Release date:2024-07-10
Method:ELECTRON MICROSCOPY (2.72 Å)
Cite:CryoEM structure of the NADP-dependent malic enzyme in complex with oxaloacetate
To Be Published
8K0A
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BU of 8k0a by Molmil
CryoEM structure of 3-phenylpropionate/cinnamic acid dioxygenase HcaE-HcaF complex
Descriptor: 3-phenylpropionate/cinnamic acid dioxygenase subunit alpha, 3-phenylpropionate/cinnamic acid dioxygenase subunit beta
Authors:Jiang, W.X, Cheng, X.Q, Ma, L.X, Xing, Q.
Deposit date:2023-07-07
Release date:2024-07-10
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:CryoEM structure of 3-phenylpropionate/cinnamic acid dioxygenase HcaE-HcaF complex
To Be Published
8JZO
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BU of 8jzo by Molmil
CryoEM structure of the NADP-dependent malic enzyme MaeB
Descriptor: NADP-dependent malic enzyme
Authors:Jiang, W.X, Cheng, X.Q, Wu, M, Ma, L.X, Xing, Q.
Deposit date:2023-07-06
Release date:2024-07-10
Method:ELECTRON MICROSCOPY (2.86 Å)
Cite:CryoEM structure of the NADP-dependent malic enzyme in complex with oxaloacetate
To Be Published
7T79
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BU of 7t79 by Molmil
CRYSTAL STRUCTURE OF GLUCOKINASE (HEXOKINASE 4) COMPLEXED WITH LIGAND AKA DIETHYL {[3-(3-{[5-(AZETIDINE-1-CARBON YL)PYRAZIN-2-YL]OXY}-5-(PROPAN-2-YLOXY)BENZAMIDO)-1H- PYRAZOL-1-YL]METHYL}PHOSPHONATE
Descriptor: Isoform 2 of Hexokinase-4, alpha-D-glucopyranose, diethyl {[3-(3-{[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy}-5-[(propan-2-yl)oxy]benzamido)-1H-pyrazol-1-yl]methyl}phosphonate
Authors:Muckelbauer, J.K.
Deposit date:2021-12-14
Release date:2022-03-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of a Partial Glucokinase Activator Clinical Candidate: Diethyl ((3-(3-((5-(Azetidine-1-carbonyl)pyrazin-2-yl)oxy)-5-isopropoxybenzamido)-1 H -pyrazol-1-yl)methyl)phosphonate (BMS-820132).
J.Med.Chem., 65, 2022
7T78
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BU of 7t78 by Molmil
CRYSTAL STRUCTURE OF GLUCOKINASE (HEXOKINASE 4) COMPLEXED WITH LIGAND DIETHYL ({2-[3-(4-METHANESULFONYLPHENO XY)-5-{[(2S)-1-METHOXYPROPAN-2-YL]OXY}BENZAMIDO]-1,3-THIAZ OL-4-YL}METHYL)PHOSPHONATE
Descriptor: 1,2-ETHANEDIOL, Isoform 2 of Hexokinase-4, SODIUM ION, ...
Authors:Muckelbauer, J.K.
Deposit date:2021-12-14
Release date:2022-03-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of a Partial Glucokinase Activator Clinical Candidate: Diethyl ((3-(3-((5-(Azetidine-1-carbonyl)pyrazin-2-yl)oxy)-5-isopropoxybenzamido)-1 H -pyrazol-1-yl)methyl)phosphonate (BMS-820132).
J.Med.Chem., 65, 2022
7JOU
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BU of 7jou by Molmil
CRYSTAL STRUCTURE OF RHO-ASSOCIATED PROTEIN KINASE 1 (ROCK1) IN COMPLEX WITH A PHENYLPYRAZOLE AMIDE INHIBITOR
Descriptor: N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide, Rho-associated protein kinase 1
Authors:Muckelbauer, J.K.
Deposit date:2020-08-07
Release date:2020-09-02
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.318 Å)
Cite:Discovery of a phenylpyrazole amide ROCK inhibitor as a tool molecule for in vivo studies.
Bioorg.Med.Chem.Lett., 30, 2020
7JOV
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BU of 7jov by Molmil
CRYSTAL STRUCTURE OF RHO-ASSOCIATED PROTEIN KINASE 2 (ROCK2) IN COMPLEX WITH A PHENYLPYRAZOLE AMIDE INHIBITOR
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide, ...
Authors:Muckelbauer, J.K.
Deposit date:2020-08-07
Release date:2020-09-02
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.586 Å)
Cite:Discovery of a phenylpyrazole amide ROCK inhibitor as a tool molecule for in vivo studies.
Bioorg.Med.Chem.Lett., 30, 2020
8WUY
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BU of 8wuy by Molmil
Crystal Structure of TR3 LBD in complex with para-positioned 3,4,5-trisubstituted benzene derivatives
Descriptor: Nuclear receptor subfamily 4immunitygroup A member 1, ~{N}-methyl-~{N}-octyl-3,4,5-tris(oxidanyl)benzamide
Authors:Hong, W.B, Chen, X.Q, Lin, T.W.
Deposit date:2023-10-21
Release date:2024-01-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-based design and synthesis of anti-fibrotic compounds derived from para-positioned 3,4,5-trisubstituted benzene.
Bioorg.Chem., 144, 2024
7YGI
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BU of 7ygi by Molmil
Crystal structure of p53 DBD domain in complex with azurin
Descriptor: Azurin, Cellular tumor antigen p53, PHOSPHATE ION, ...
Authors:Jiang, W.X, Zuo, J.Q, Hu, J.J, Chen, X.Q, Ma, L.X, Liu, Z, Xing, Q.
Deposit date:2022-07-11
Release date:2023-02-08
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis of bacterial effector protein azurin targeting tumor suppressor p53 and inhibiting its ubiquitination.
Commun Biol, 6, 2023
8K03
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BU of 8k03 by Molmil
CryoEM structure of the transketolase ANIP from Streptomyces hygrospinosus
Descriptor: Putative transketolase
Authors:Jiang, W.X, Ma, L.X, Xing, Q.
Deposit date:2023-07-07
Release date:2024-07-17
Method:ELECTRON MICROSCOPY (3.84 Å)
Cite:CryoEM structure of the transketolase ANIP from Streptomyces hygrospinosus
To Be Published

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數據於2024-10-09公開中

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