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9M6H
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BU of 9m6h by Molmil
structure of FliD-FliC at a 10:10 stoichiometry
Descriptor: Flagellar hook-associated protein 2, Flagellin
Authors:Chen, L.X, Chen, X.Q, Zhang, F.F, Jiang, W.X, Xing, Q.
Deposit date:2025-03-07
Release date:2025-07-16
Method:ELECTRON MICROSCOPY (3.27 Å)
Cite:Structural insights into the initiation of bacterial flagellar filament elongation
To Be Published
8Z5A
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BU of 8z5a by Molmil
Crystal Structure of Nur77 LBD in complex with NLM1
Descriptor: 5-[[4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-~{N}-(3-morpholin-4-ylpropyl)-1~{H}-indole-2-carboxamide, GLYCEROL, Nuclear receptor subfamily 4immunitygroup A member 1
Authors:Hong, W.B, Lin, T.W, Chen, X.Q.
Deposit date:2024-04-18
Release date:2025-04-23
Method:X-RAY DIFFRACTION (2.179 Å)
Cite:Crystal Structure of Nur77 LBD in complex with NLM1
To Be Published
9IJK
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BU of 9ijk by Molmil
The CryoEM structure of a C-C bond hydrolase MhpC homotetramer
Descriptor: 2-hydroxy-6-oxononadienedioate/2-hydroxy-6-oxononatrienedioate hydrolase
Authors:Jiang, W.X, Cheng, X.Q, Ma, L.X, Xing, Q.
Deposit date:2024-06-24
Release date:2025-07-02
Method:ELECTRON MICROSCOPY (4 Å)
Cite:The CryoEM structure of a C-C bond hydrolase MhpC homotetramer
To Be Published
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
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
8X7F
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BU of 8x7f by Molmil
CryoEM structure of the trifunctional NAD biosynthesis/regulator protein NadR in complex with NAD
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PHOSPHATE ION, Trifunctional NAD biosynthesis/regulator protein NadR
Authors:Jiang, W.X, Dong, X, Cheng, X.Q, Ma, L.X, Xing, Q.
Deposit date:2023-11-24
Release date:2024-12-04
Method:ELECTRON MICROSCOPY (2.66 Å)
Cite:CryoEM structure of the trifunctional NAD biosynthesis/regulator protein NadR in complex with NAD
To Be Published
8ZPI
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BU of 8zpi by Molmil
The cryoEM structure of a daminobutyrate--2-oxoglutarate transaminase EctB
Descriptor: Diaminobutyrate-2-oxoglutarate transaminase, PYRIDOXAL-5'-PHOSPHATE
Authors:Jiang, W.X, Cheng, X.Q, Ma, L.X, Xing, Q.
Deposit date:2024-05-30
Release date:2025-06-04
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:The cryoEM structure of a daminobutyrate--2-oxoglutarate transaminase EctB
To Be Published
8ZTW
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BU of 8ztw by Molmil
CryoEM structure of a GH1 family beta-glucosidase
Descriptor: Multifunctional glycoside hydrolase
Authors:Jiang, W.X, Cheng, X.Q, Ma, L.X, Cao, Z, Xing, Q.
Deposit date:2024-06-07
Release date:2025-06-11
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:CryoEM structure of a GH1 family beta-glucosidase
To Be Published
8ZU0
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BU of 8zu0 by Molmil
CryoEM structure of a tRNA uridine 5-carboxymethylaminomethyl modification enzyme GidA
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, tRNA uridine 5-carboxymethylaminomethyl modification enzyme MnmG
Authors:Jiang, W.X, Cheng, X.Q, Dong, X, Ma, L.X, Xing, Q.
Deposit date:2024-06-07
Release date:2025-06-18
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:CryoEM structure of a tRNA uridine 5-carboxymethylaminomethyl modification enzyme GidA
To Be Published
8ZU1
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BU of 8zu1 by Molmil
CryoEM structure of a cellulose CelS in monomeric form
Descriptor: cellulose CelS
Authors:Jiang, W.X, Cheng, X.Q, Ma, L.X, Cao, Z, Xing, Q.
Deposit date:2024-06-07
Release date:2025-06-11
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:CryoEM structure of a cellulose CelS in monomeric form
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
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
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
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
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
Last modified:2025-02-12
Method:ELECTRON MICROSCOPY (2.72 Å)
Cite:Structural and catalytic insights into MhpB: A dioxygenase enzyme for degrading catecholic pollutants.
J Hazard Mater, 488, 2025

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PDB entries from 2025-07-23

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