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4KFP
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BU of 4kfp by Molmil
Identification of 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-derived Ureas as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
Descriptor: 1,2-ETHANEDIOL, N-(4-{[1-(tetrahydro-2H-pyran-4-yl)piperidin-4-yl]sulfonyl}benzyl)-2H-pyrrolo[3,4-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ...
Authors:Dragovich, P.S, Bair, K.W, Baumeister, T, Ho, Y, Liederer, B.M, Liu, X, O'Brien, T, Oeh, J, Sampath, D, Skelton, N, Wang, L, Wang, W, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhang, L, Zheng, X.
Deposit date:2013-04-27
Release date:2013-08-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Identification of 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-derived ureas as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
5GXT
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BU of 5gxt by Molmil
Crystal structure of PigG
Descriptor: MAGNESIUM ION, Maltose-binding periplasmic protein,PigG
Authors:Zhang, F, Ran, T, Xu, D, Wang, W.
Deposit date:2016-09-20
Release date:2017-07-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.245 Å)
Cite:Crystal structure of MBP-PigG fusion protein and the essential function of PigG in the prodigiosin biosynthetic pathway in Serratia marcescens FS14.
Int. J. Biol. Macromol., 99, 2017
5GWD
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BU of 5gwd by Molmil
Structure of Myroilysin
Descriptor: Myroilysin, ZINC ION
Authors:Xu, D, Ran, T, Wang, W.
Deposit date:2016-09-10
Release date:2017-02-15
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Myroilysin Is a New Bacterial Member of the M12A Family of Metzincin Metallopeptidases and Is Activated by a Cysteine Switch Mechanism.
J. Biol. Chem., 292, 2017
5GXV
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BU of 5gxv by Molmil
Crystal structure of PigG
Descriptor: MAGNESIUM ION, Maltose-binding periplasmic protein,PigG
Authors:Zhang, F, Ran, T, Xu, D, Wang, W.
Deposit date:2016-09-20
Release date:2017-07-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of MBP-PigG fusion protein and the essential function of PigG in the prodigiosin biosynthetic pathway in Serratia marcescens FS14.
Int. J. Biol. Macromol., 99, 2017
5H9U
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BU of 5h9u by Molmil
Crystal structure of a thermostable methionine adenosyltransferase
Descriptor: S-adenosylmethionine synthase
Authors:Feng, Y, Wang, W.
Deposit date:2015-12-29
Release date:2017-01-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.667 Å)
Cite:Crystal structure of a thermostable methionine adenosyltransferase
To Be Published
4G2V
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BU of 4g2v by Molmil
Structure complex of LGN binding with FRMPD1
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, G-protein-signaling modulator 2, ...
Authors:Shang, Y, Pan, Z, Wen, W, Wang, W, Zhang, M.
Deposit date:2012-07-13
Release date:2013-01-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and biochemical characterization of the interaction between LGN and Frmpd1
J.Mol.Biol., 425, 2013
4G5R
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BU of 4g5r by Molmil
Structure of LGN GL4/Galphai3 complex
Descriptor: CITRIC ACID, G-protein-signaling modulator 2, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Jia, M, Li, J, Zhu, J, Wen, W, Zhang, M, Wang, W.
Deposit date:2012-07-18
Release date:2012-09-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.481 Å)
Cite:Crystal Structures of the scaffolding protein LGN reveal the general mechanism by which GoLoco binding motifs inhibit the release of GDP from Galphai subunits in G-coupled heterotrimeric proteins
To be Published
4G5O
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BU of 4g5o by Molmil
Structure of LGN GL4/Galphai3(Q147L) complex
Descriptor: CITRIC ACID, G-protein-signaling modulator 2, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Jia, M, Li, J, Zhu, J, Wen, W, Zhang, M, Wang, W.
Deposit date:2012-07-18
Release date:2012-09-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structures of the scaffolding protein LGN reveal the general mechanism by which GoLoco binding motifs inhibit the release of GDP from Galphai subunits in G-coupled heterotrimeric proteins
To be Published
4G5Q
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BU of 4g5q by Molmil
Structure of LGN GL4/Galphai1 complex
Descriptor: CITRIC ACID, G-protein-signaling modulator 2, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Jia, M, Li, J, Zhu, J, Wen, W, Zhang, M, Wang, W.
Deposit date:2012-07-18
Release date:2012-09-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structures of the scaffolding protein LGN reveal the general mechanism by which GoLoco binding motifs inhibit the release of GDP from Galphai subunits in G-coupled heterotrimeric proteins
To be Published
5K4J
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BU of 5k4j by Molmil
Crystal Structure of CDK2 in complex with compound 22
Descriptor: 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one, Cyclin-dependent kinase 2
Authors:Yin, J, Wang, W.
Deposit date:2016-05-20
Release date:2016-07-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of (S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one (GDC-0994), an Extracellular Signal-Regulated Kinase 1/2 (ERK1/2) Inhibitor in Early Clinical Development.
J.Med.Chem., 59, 2016
5K4I
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BU of 5k4i by Molmil
Crystal Structure of ERK2 in complex with compound 22
Descriptor: 1,2-ETHANEDIOL, 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one, Mitogen-activated protein kinase 1
Authors:Yin, J, Wang, W.
Deposit date:2016-05-20
Release date:2016-07-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Discovery of (S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one (GDC-0994), an Extracellular Signal-Regulated Kinase 1/2 (ERK1/2) Inhibitor in Early Clinical Development.
J.Med.Chem., 59, 2016
4JHR
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BU of 4jhr by Molmil
An auto-inhibited conformation of LGN reveals a distinct interaction mode between GoLoco motifs and TPR motifs
Descriptor: G-protein-signaling modulator 2
Authors:Pan, Z, Zhu, J, Shang, Y, Wei, Z, Jia, M, Xia, C, Wen, W, Wang, W, Zhang, M.
Deposit date:2013-03-05
Release date:2013-06-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:An autoinhibited conformation of LGN reveals a distinct interaction mode between GoLoco motifs and TPR motifs
Structure, 21, 2013
5BKG
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BU of 5bkg by Molmil
Cyro-EM structure of human Glycine Receptor alpha2-beta heteromer, glycine bound, (semi)open state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, Glycine receptor subunit alpha-2, ...
Authors:Yu, H, Wang, W.
Deposit date:2021-03-19
Release date:2021-09-08
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Characterization of the subunit composition and structure of adult human glycine receptors
Neuron, 109, 2021
5BKF
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BU of 5bkf by Molmil
Cyro-EM structure of human Glycine Receptor alpha2-beta heteromer, Glycine bound, desensitized state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, Glycine receptor subunit alpha-2, ...
Authors:Yu, H, Wang, W.
Deposit date:2021-03-19
Release date:2021-09-08
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Characterization of the subunit composition and structure of adult human glycine receptors
Neuron, 109, 2021
5CIO
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BU of 5cio by Molmil
Crystal structure of PqqF
Descriptor: ZINC ION, pyrroloquinoline quinone biosynthesis protein PqqF
Authors:Wei, Q, Xu, D, Ran, T, Wang, W.
Deposit date:2015-07-13
Release date:2016-06-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure and Function of PqqF Protein in the Pyrroloquinoline Quinone Biosynthetic Pathway
J.Biol.Chem., 291, 2016
5CZW
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BU of 5czw by Molmil
Crystal structure of myroilysin
Descriptor: Myroilysin, ZINC ION
Authors:Zhou, J, Ran, T, Xu, D, Wang, W.
Deposit date:2015-08-01
Release date:2016-08-03
Last modified:2017-04-26
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Myroilysin is a New Bacterial Member of the M12A Family of Metzincin Metallopeptidases and Activated by a Cysteine-switch Mechanism
J. Biol. Chem., 292, 2017
8HEH
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BU of 8heh by Molmil
Crystal structure of GCN5-related N-acetyltransferase 05790
Descriptor: COENZYME A, GLYCEROL, GNAT family N-acetyltransferase
Authors:Xu, M.X, Ran, T.T, Wang, W.
Deposit date:2022-11-08
Release date:2022-12-21
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of prodigiosin binding protein PgbP, a GNAT family protein, in Serratia marcescens FS14.
Biochem.Biophys.Res.Commun., 640, 2022
8GQR
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BU of 8gqr by Molmil
Crystal structure of VioD with FAD
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, SULFATE ION, ...
Authors:Ran, T, Wang, W, Xu, M.
Deposit date:2022-08-30
Release date:2023-03-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for substrate binding and catalytic mechanism of the key enzyme VioD in the violacein synthesis pathway.
Proteins, 91, 2023
8H0M
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BU of 8h0m by Molmil
Crystal structure of VioD
Descriptor: (2S)-2-ethylhexan-1-ol, FLAVIN-ADENINE DINUCLEOTIDE, FORMIC ACID, ...
Authors:Xu, M, Ran, T, Wang, W.
Deposit date:2022-09-29
Release date:2023-04-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.702 Å)
Cite:Structural basis for substrate binding and catalytic mechanism of the key enzyme VioD in the violacein synthesis pathway.
Proteins, 91, 2023
5D7W
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BU of 5d7w by Molmil
Crystal structure of serralysin
Descriptor: CALCIUM ION, GLYCEROL, Serralysin, ...
Authors:Wu, D, Ran, T, Xu, D.Q, Wang, W.
Deposit date:2015-08-14
Release date:2016-01-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Structure of a thermostable serralysin from Serratia sp. FS14 at 1.1 angstrom resolution.
Acta Crystallogr.,Sect.F, 72, 2016
8GOL
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BU of 8gol by Molmil
crystal structure of SulE
Descriptor: 2-[(4-chloranyl-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid, Alpha/beta fold hydrolase, GLYCEROL
Authors:Liu, B, Ran, T, Wang, W, He, J.
Deposit date:2022-08-25
Release date:2023-08-02
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity.
Nat Commun, 14, 2023
8GOY
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BU of 8goy by Molmil
SulE P44R
Descriptor: 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methyl-pyrazole-4-carboxylic acid, Alpha/beta fold hydrolase, GLYCEROL
Authors:Liu, B, He, J, Ran, T, Wang, W.
Deposit date:2022-08-25
Release date:2023-08-02
Method:X-RAY DIFFRACTION (1.784 Å)
Cite:Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity.
Nat Commun, 14, 2023
8GP0
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BU of 8gp0 by Molmil
crystal structure of SulE
Descriptor: Alpha/beta fold hydrolase, CITRIC ACID, GLYCEROL
Authors:Liu, B, Ran, T, wang, W, He, J.
Deposit date:2022-08-25
Release date:2023-08-02
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity.
Nat Commun, 14, 2023
8H48
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BU of 8h48 by Molmil
Blasnase-T13A/P55F with L-asn
Descriptor: ASPARAGINE, FORMIC ACID, L-asparaginase, ...
Authors:Lu, F, Wang, W, Chi, H, Ran, T.
Deposit date:2022-10-10
Release date:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-based rational design of Bacillus licheniformis L-asparaginase with low/no D-asparaginase activity for a safer enzyme
To Be Published
8H4C
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BU of 8h4c by Molmil
Blasnase-T13A/M57P
Descriptor: FORMIC ACID, L-asparaginase, MAGNESIUM ION
Authors:Lu, F, Wang, W, Chi, H, Ran, T.
Deposit date:2022-10-10
Release date:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-based rational design of Bacillus licheniformis L-asparaginase with low/no D-asparaginase activity for a safer enzyme
To Be Published

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PDB entries from 2024-04-24

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