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2BDM
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BU of 2bdm by Molmil
Structure of Cytochrome P450 2B4 with Bound Bifonazole
Descriptor: 1-[PHENYL-(4-PHENYLPHENYL)-METHYL]IMIDAZOLE, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, ...
Authors:Zhao, Y, White, M.A, Muralidhara, B.K, Sun, L, Halpert, J.R, Stout, C.D.
Deposit date:2005-10-20
Release date:2005-12-27
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of microsomal cytochrome P450 2B4 complexed with the antifungal drug bifonazole: insight into P450 conformational plasticity and membrane interaction.
J.Biol.Chem., 281, 2006
4V0R
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BU of 4v0r by Molmil
DENGUE VIRUS FULL LENGTH NS5 COMPLEXED WITH GTP AND SAH
Descriptor: FORMIC ACID, GLYCEROL, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Zhao, Y, Soh, S, Zheng, J, Phoo, W.W, Swaminathan, K, Cornvik, T.C, Lim, S.P, Shi, P.-Y, Lescar, J, Vasudevan, S.G, Luo, D.
Deposit date:2014-09-18
Release date:2015-01-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A Crystal Structure of the Dengue Virus Ns5 Protein Reveals a Novel Inter-Domain Interface Essential for Protein Flexibility and Virus Replication.
Plos Pathog., 11, 2015
7B7Y
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BU of 7b7y by Molmil
Notum-Fragment064
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, N-(4-methyl-1,3-thiazol-2-yl)propanamide, ...
Authors:Zhao, Y, Jonees, E.Y.
Deposit date:2020-12-11
Release date:2021-07-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Notum Fragment Screen
To Be Published
7B7X
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BU of 7b7x by Molmil
Notum-Fragment063
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, N-(2,1,3-benzoxadiazol-4-yl)acetamide, ...
Authors:Zhao, Y, Jonees, E.Y.
Deposit date:2020-12-11
Release date:2021-07-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Notum Fragment Screen
To Be Published
7B7W
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BU of 7b7w by Molmil
Notum-Fragment049
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, N-ethyl-N'-(5-methyl-1,2-oxazol-3-yl)urea, ...
Authors:Zhao, Y, Jonees, E.Y.
Deposit date:2020-12-11
Release date:2021-07-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Notum Fragment Screen
To Be Published
7B2Z
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BU of 7b2z by Molmil
Notum complex with ARUK3003907
Descriptor: DIMETHYL SULFOXIDE, Palmitoleoyl-protein carboxylesterase NOTUM, SULFATE ION, ...
Authors:Zhao, Y, Jone, E.Y.
Deposit date:2020-11-28
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Structural Insights into Notum Covalent Inhibition.
J.Med.Chem., 64, 2021
7ARG
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BU of 7arg by Molmil
Notum in complex with ARUK3002704
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
Authors:Zhao, Y, Jones, E.Y.
Deposit date:2020-10-24
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Structural Insights into Notum Covalent Inhibition.
J.Med.Chem., 64, 2021
7B37
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BU of 7b37 by Molmil
Notum complex with ARUK3003718
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoic acid, ...
Authors:Zhao, Y, Jone, E.Y.
Deposit date:2020-11-28
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Structural Insights into Notum Covalent Inhibition.
J.Med.Chem., 64, 2021
7B2V
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BU of 7b2v by Molmil
Notum complex with ARUK3003906
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
Authors:Zhao, Y, Jone, E.Y.
Deposit date:2020-11-28
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Structural Insights into Notum Covalent Inhibition.
J.Med.Chem., 64, 2021
7B2Y
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BU of 7b2y by Molmil
Notum complex with ARUK3003910
Descriptor: 1,2-ETHANEDIOL, 2,2-bis(fluoranyl)ethyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhao, Y, Jone, E.Y.
Deposit date:2020-11-28
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Structural Insights into Notum Covalent Inhibition.
J.Med.Chem., 64, 2021
7B3F
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BU of 7b3f by Molmil
Notum S232A in complex with ARUK3003718
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoic acid, ...
Authors:Zhao, Y, Jone, E.Y.
Deposit date:2020-11-30
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Structural Insights into Notum Covalent Inhibition.
J.Med.Chem., 64, 2021
4V0Q
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BU of 4v0q by Molmil
Dengue Virus Full Length NS5 Complexed with SAH
Descriptor: ACETATE ION, GLYCEROL, NS5 POLYMERASE, ...
Authors:Zhao, Y, Soh, S, Zheng, J, Phoo, W.W, Swaminathan, K, Cornvik, T.C, Lim, S.P, Shi, P.-Y, Lescar, J, Vasudevan, S.G, Luo, D.
Deposit date:2014-09-18
Release date:2015-01-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A Crystal Structure of the Dengue Virus Ns5 Protein Reveals a Novel Inter-Domain Interface Essential for Protein Flexibility and Virus Replication.
Plos Pathog., 11, 2015
5HNS
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BU of 5hns by Molmil
Structure of glycosylated NPC1 luminal domain C
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Niemann-Pick C1 protein, ...
Authors:Zhao, Y, Ren, J, Harlos, K, Stuart, D.I.
Deposit date:2016-01-18
Release date:2016-02-10
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structure of glycosylated NPC1 luminal domain C reveals insights into NPC2 and Ebola virus interactions.
Febs Lett., 590, 2016
5IC3
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BU of 5ic3 by Molmil
CAL PDZ domain with peptide and inhibitor
Descriptor: 4-[methyl(nitroso)amino]benzene-1,2-diol, Golgi-associated PDZ and coiled-coil motif-containing protein, HPV18E6 Peptide
Authors:Zhao, Y, Madden, D.R.
Deposit date:2016-02-22
Release date:2017-08-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:CAL PDZ domain with peptide and inhibitor
To Be Published
3VPX
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BU of 3vpx by Molmil
Crystal structure of leucine dehydrogenase from a psychrophilic bacterium Sporosarcina psychrophila.
Descriptor: Leucine dehydrogenase
Authors:Zhao, Y, Wakamatsu, T, Doi, K, Sakuraba, H, Ohshima, T.
Deposit date:2012-03-14
Release date:2013-02-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:A psychrophilic leucine dehydrogenase from Sporosarcina psychrophila: Purification, characterization, gene sequencing and crystal structure analysis
J.MOL.CATAL., B ENZYM., 83, 2012
1FGL
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BU of 1fgl by Molmil
Cyclophilin A complexed with a fragment of HIV-1 GAG protein
Descriptor: CYCLOPHILIN A, HIV-1 GAG PROTEIN
Authors:Zhao, Y, Chen, Y, Schutkowski, M, Fischer, G, Ke, H.
Deposit date:1996-11-18
Release date:1997-04-01
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Cyclophilin A complexed with a fragment of HIV-1 gag protein: insights into HIV-1 infectious activity.
Structure, 5, 1997
1R5I
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BU of 1r5i by Molmil
Crystal structure of the MAM-MHC complex
Descriptor: HLA class II histocompatibility antigen, DR alpha chain, DRB1-1 beta chain, ...
Authors:Zhao, Y, Li, Z, Drozd, S.J, Guo, Y, Mourad, W, Li, H.
Deposit date:2003-10-10
Release date:2004-03-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of Mycoplasma arthritidis mitogen complexed with HLA-DR1 reveals a novel superantigen fold and a dimerized superantigen-MHC complex.
Structure, 12, 2004
3JUG
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BU of 3jug by Molmil
Crystal structure of endo-beta-1,4-mannanase from the alkaliphilic Bacillus sp. N16-5
Descriptor: Beta-mannanase, SULFATE ION
Authors:Zhao, Y, Zhang, Y, Xue, Y.
Deposit date:2009-09-15
Release date:2010-09-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure Analysis of Alkaline beta-mannanase from Alkaliphilic Bacillus sp. N16-5 Implications for Adaptation to Alkaline Conditions
To be Published
6ZYF
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BU of 6zyf by Molmil
Notum_Ghrelin complex
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, ...
Authors:Zhao, Y, Jones, E.Y.
Deposit date:2020-07-31
Release date:2021-03-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Notum deacylates octanoylated ghrelin.
Mol Metab, 49, 2021
4YVX
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BU of 4yvx by Molmil
Crystal structure of AKR1C3 complexed with glimepiride
Descriptor: 3-ethyl-4-methyl-N-[2-(4-{[(cis-4-methylcyclohexyl)carbamoyl]sulfamoyl}phenyl)ethyl]-2-oxo-2,5-dihydro-1H-pyrrole-1-car boxamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhao, Y, Zheng, X, Zhang, H, Hu, X.
Deposit date:2015-03-20
Release date:2015-11-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:In vitro inhibition of AKR1Cs by sulphonylureas and the structural basis
Chem.Biol.Interact., 240, 2015
4YVP
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BU of 4yvp by Molmil
Crystal Structure of AKR1C1 complexed with glibenclamide
Descriptor: 5-chloro-N-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhao, Y, Zheng, X, Zhang, H, Hu, X.
Deposit date:2015-03-20
Release date:2015-11-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:In vitro inhibition of AKR1Cs by sulphonylureas and the structural basis
Chem.Biol.Interact., 240, 2015
4ZFC
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BU of 4zfc by Molmil
Crystal structure of AKR1C3 complexed with glicazide
Descriptor: Aldo-keto reductase family 1 member C3, N-[(3aR,6aS)-hexahydrocyclopenta[c]pyrrol-2(1H)-ylcarbamoyl]-4-methylbenzenesulfonamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhao, Y, Zhrng, X, Hu, X.
Deposit date:2015-04-21
Release date:2015-11-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:In vitro inhibition of AKR1Cs by sulphonylureas and the structural basis
Chem.Biol.Interact., 240, 2015
4YVV
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BU of 4yvv by Molmil
Crystal structure of AKR1C3 complexed with glibenclamide
Descriptor: 5-chloro-N-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhao, Y, Zheng, X, Zhang, H, Hu, X.
Deposit date:2015-03-20
Release date:2015-11-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:In vitro inhibition of AKR1Cs by sulphonylureas and the structural basis
Chem.Biol.Interact., 240, 2015
1QQC
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BU of 1qqc by Molmil
CRYSTAL STRUCTURE OF AN ARCHAEBACTERIAL DNA POLYMERASE D.TOK
Descriptor: DNA POLYMERASE II, MAGNESIUM ION, SULFATE ION
Authors:Zhao, Y, Jeruzalmi, D, Leighton, L, Lasken, R, Kuriyan, J.
Deposit date:1999-06-02
Release date:1999-10-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of an archaebacterial DNA polymerase
Structure Fold.Des., 7, 1999
1ONS
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BU of 1ons by Molmil
Crystal structure of Escherichia coli heat shock protein YedU
Descriptor: Chaperone protein hchA, ZINC ION
Authors:Zhao, Y, Fox, R.O.
Deposit date:2003-02-28
Release date:2004-01-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The crystal structure of Escherichia coli heat shock protein YedU reveals three potential catalytic active sites
Protein Sci., 12, 2003

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