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8HQG
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BU of 8hqg by Molmil
Crystal structure of SARS-Cov-2 main protease K90R mutant in complex with inhibitor YH-53
Descriptor: 3C-like proteinase nsp5, N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
Authors:Wang, J, Zhang, J, Li, J.
Deposit date:2022-12-13
Release date:2023-12-20
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal structure of SARS-Cov-2 main protease K90R mutant in complex with inhibitor YH-53
To Be Published
8HVM
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BU of 8hvm by Molmil
Crystal structure of SARS-Cov-2 main protease K90R mutant in complex with PF07321332
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
Authors:Wang, J, Zhang, J, Li, J.
Deposit date:2022-12-27
Release date:2023-12-27
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Crystal structure of SARS-Cov-2 main protease K90R mutant in complex with PF07321332
To Be Published
6PDZ
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BU of 6pdz by Molmil
Crystal structure of PPARgamma ligand binding domain in complex with SMRT peptide and inverse agonist T0070907
Descriptor: 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2019-06-19
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A molecular switch regulating transcriptional repression and activation of PPAR gamma.
Nat Commun, 11, 2020
4DNC
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BU of 4dnc by Molmil
Crystal structure of human MOF in complex with MSL1
Descriptor: Histone acetyltransferase KAT8, Male-specific lethal 1 homolog, ZINC ION
Authors:Huang, J, Lei, M.
Deposit date:2012-02-08
Release date:2012-07-25
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural insight into the regulation of MOF in the male-specific lethal complex and the non-specific lethal complex.
Cell Res., 22, 2012
8WA2
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BU of 8wa2 by Molmil
cryo-EM structure of native mastigonemes isolated from Chlamydomonas reinhardtii at 3.0 angstrom resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Huang, J, Tao, H, Chen, J, Pan, J, Yan, C, Yan, N.
Deposit date:2023-09-06
Release date:2024-04-10
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure-guided discovery of protein and glycan components in native mastigonemes.
Cell, 187, 2024
5YOX
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BU of 5yox by Molmil
HD domain-containing protein YGK1(YGL101W)
Descriptor: HD domain-containing protein YGL101W, ZINC ION
Authors:Yang, J, Wang, F, Gao, Z, Zhou, K, Liu, Q.
Deposit date:2017-10-31
Release date:2018-11-21
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:HD domain-containing protein YGK1(YGL101W)
To Be Published
8D9X
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BU of 8d9x by Molmil
Cryo-EM structure of human DELE1 in oligomeric form
Descriptor: Maltodextrin-binding protein,DAP3-binding cell death enhancer 1 short form
Authors:Yang, J, Lander, G.C.
Deposit date:2022-06-11
Release date:2023-06-14
Last modified:2023-09-20
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:DELE1 oligomerization promotes integrated stress response activation.
Nat.Struct.Mol.Biol., 30, 2023
6PZP
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BU of 6pzp by Molmil
Crystal structure of caspase-1 in complex with VX-765
Descriptor: Caspase-1, N-(4-amino-3-chlorobenzene-1-carbonyl)-3-methyl-L-valyl-N-[(2S)-1-carboxy-3-oxopropan-2-yl]-L-prolinamide
Authors:Yang, J, Liu, Z, Xiao, T.S.
Deposit date:2019-08-01
Release date:2020-08-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Crystal structure of caspase-1 in complex with VX-765
To Be Published
1XG7
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BU of 1xg7 by Molmil
Conserved hypothetical protein Pfu-877259-001 from Pyrococcus furiosus
Descriptor: hypothetical protein
Authors:Chang, J, Zhao, M, Horanyi, P, Xu, H, Yang, H, Liu, Z.-J, Chen, L, Zhou, W, Habel, J, Tempel, W, Lee, D, Lin, D, Chang, S.-H, Eneh, J.C, Hopkins, R.C, Jenney Jr, F.E, Lee, H.-S, Li, T, Poole II, F.L, Shah, C, Sugar, F.J, Chen, C.-Y, Arendall III, W.B, Richardson, J.S, Richardson, D.C, Rose, J.P, Adams, M.W.W, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2004-09-16
Release date:2004-11-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Conserved hypothetical protein Pfu-877259-001 from Pyrococcus furiosus
To be published
5Z11
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BU of 5z11 by Molmil
Crystal Structure of Grass Carp CD8 alpha alpha Homodimers
Descriptor: CD8 alpha chain
Authors:Wang, J.
Deposit date:2017-12-22
Release date:2018-04-11
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal Structure of the Grass Carp CD8 alpha alpha Homodimers Indicates a Dramatic Evolution of CD8 from Ectotherms to Endotherms.
To Be Published
8J0P
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BU of 8j0p by Molmil
Chitin binding SusD-like protein AqSusD from a marine Bacteroidetes
Descriptor: Chitin binding SusD-like protein
Authors:Yang, J.
Deposit date:2023-04-11
Release date:2023-11-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural insights of a SusD-like protein in marine Bacteroidetes bacteria reveal the molecular basis for chitin recognition and acquisition.
Febs J., 291, 2024
3ONL
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BU of 3onl by Molmil
yeast Ent3_ENTH-Vti1p_Habc complex structure
Descriptor: Epsin-3, t-SNARE VTI1
Authors:Wang, J, Fang, P, Niu, L, Teng, M.
Deposit date:2010-08-29
Release date:2011-07-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Epsin N-terminal homology domains bind on opposite sides of two SNAREs
Proc.Natl.Acad.Sci.USA, 108, 2011
3ONK
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BU of 3onk by Molmil
yeast Ent3_ENTH domain
Descriptor: Epsin-3
Authors:Wang, J, Fang, P, Niu, L, Teng, M.
Deposit date:2010-08-29
Release date:2011-07-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Epsin N-terminal homology domains bind on opposite sides of two SNAREs
Proc.Natl.Acad.Sci.USA, 108, 2011
3ONJ
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BU of 3onj by Molmil
Crystal structure of yeast Vti1p_Habc domain
Descriptor: t-SNARE VTI1
Authors:Wang, J, Fang, P, Niu, L, Teng, M.
Deposit date:2010-08-29
Release date:2011-07-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Epsin N-terminal homology domains bind on opposite sides of two SNAREs
Proc.Natl.Acad.Sci.USA, 108, 2011
2QWQ
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BU of 2qwq by Molmil
Crystal structure of disulfide-bond-crosslinked complex of bovine hsc70 (1-394aa)R171C and bovine Auxilin (810-910aa)D876C in the AMPPNP hydrolyzed form
Descriptor: ACETIC ACID, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ...
Authors:Jiang, J, Maes, E.G, Wang, L, Taylor, A.B, Hinck, A.P, Lafer, E.M, Sousa, R.
Deposit date:2007-08-10
Release date:2007-12-18
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structural basis of J cochaperone binding and regulation of Hsp70.
Mol.Cell, 28, 2007
2QWL
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BU of 2qwl by Molmil
Crystal structure of bovine hsc70 (1-394aa)in the ADP state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, Heat shock cognate 71 kDa protein, ...
Authors:Jiang, J, Maes, E.G, Wang, L, Taylor, A.B, Hinck, A.P, Lafer, E.M, Sousa, R.
Deposit date:2007-08-10
Release date:2007-12-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural basis of J cochaperone binding and regulation of Hsp70.
Mol.Cell, 28, 2007
2QW9
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BU of 2qw9 by Molmil
Crystal structure of bovine hsc70 (1-394aa)in the apo state
Descriptor: GLYCEROL, Heat shock cognate 71 kDa protein
Authors:Jiang, J, Maes, E.G, Wang, L, Taylor, A.B, Hinck, A.P, Lafer, E.M, Sousa, R.
Deposit date:2007-08-10
Release date:2007-12-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural basis of J cochaperone binding and regulation of Hsp70.
Mol.Cell, 28, 2007
5DQZ
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BU of 5dqz by Molmil
Crystal Structure of Cas-DNA-PAM complex
Descriptor: CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2, DNA (36-MER), ...
Authors:Wang, J, Li, J, Zhao, H, Sheng, G, Wang, M, Yin, M, Wang, Y.
Deposit date:2015-09-15
Release date:2015-11-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural and Mechanistic Basis of PAM-Dependent Spacer Acquisition in CRISPR-Cas Systems.
Cell, 163, 2015
6LIO
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BU of 6lio by Molmil
Crystal structure of human PDK2 complexed with GM67520
Descriptor: 4-[[[5-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-[4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-1,2-oxazol-3-yl]carbonylamino]methyl]cyclohexane-1-carboxylic acid, GLYCEROL, SULFATE ION, ...
Authors:Kang, J, Kim, J.
Deposit date:2019-12-12
Release date:2020-09-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structural basis for the inhibition of PDK2 by novel ATP- and lipoyl-binding site targeting compounds.
Biochem.Biophys.Res.Commun., 527, 2020
8GSJ
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BU of 8gsj by Molmil
APC-Asef tripeptide inhibitor
Descriptor: (1R,2S)-2-phenylcyclopropanamine, 2-methylsulfanylpyrimidine-4-carbaldehyde, Adenomatous polyposis coli protein, ...
Authors:Zhang, J, Wang, X.F, Song, K.
Deposit date:2022-09-06
Release date:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:APC-Asef tripeptide inhibitor
To Be Published
4WUZ
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BU of 4wuz by Molmil
Crystal structure of lambda exonuclease in complex with DNA and Ca2+
Descriptor: CALCIUM ION, DNA (5'-D(*TP*T*TP*CP*GP*GP*TP*AP*CP*AP*GP*TP*AP*G)-3'), DNA (5'-D(P*AP*GP*CP*TP*AP*CP*TP*GP*TP*AP*CP*CP*GP*A)-3'), ...
Authors:Zhang, J, Bell, C.E.
Deposit date:2014-11-04
Release date:2014-11-19
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Crystal Structure of lambda Exonuclease in Complex with DNA and Ca(2+).
Biochemistry, 53, 2014
6LIL
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BU of 6lil by Molmil
Crystal structure of human PDK2 complexed with an allosteric inhibitor compound 8c
Descriptor: 1-(1-piperidin-4-ylpyrazol-4-yl)anthracene-9,10-dione, CITRATE ANION, DI(HYDROXYETHYL)ETHER, ...
Authors:Kang, J, Kim, J.
Deposit date:2019-12-12
Release date:2020-09-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structural basis for the inhibition of PDK2 by novel ATP- and lipoyl-binding site targeting compounds.
Biochem.Biophys.Res.Commun., 527, 2020
6MD4
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BU of 6md4 by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Rosiglitazone and Oleic acid
Descriptor: 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), OLEIC ACID, ...
Authors:Shang, J, Kojetin, D.J.
Deposit date:2018-09-03
Release date:2019-01-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Cooperative cobinding of synthetic and natural ligands to the nuclear receptor PPAR gamma.
Elife, 7, 2018
6MD1
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BU of 6md1 by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with GW9662 and Oleic acid
Descriptor: 2-chloro-5-nitro-N-phenylbenzamide, OLEIC ACID, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2018-09-03
Release date:2019-01-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Cooperative cobinding of synthetic and natural ligands to the nuclear receptor PPAR gamma.
Elife, 7, 2018
8HW4
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BU of 8hw4 by Molmil
Cryo-EM structure of dehydroepiandrosterone sulfate-bound human ABC transporter ABCC3 in nanodiscs
Descriptor: 17-oxoandrost-5-en-3beta-yl hydrogen sulfate, ATP-binding cassette sub-family C member 3
Authors:Wang, J, Wang, F.F, Chen, Y.X, Zhou, C.Z.
Deposit date:2022-12-28
Release date:2023-06-07
Last modified:2023-10-11
Method:ELECTRON MICROSCOPY (3.52 Å)
Cite:Placing steroid hormones within the human ABCC3 transporter reveals a compatible amphiphilic substrate-binding pocket.
Embo J., 42, 2023

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