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4O0S
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BU of 4o0s by Molmil
Crystal structures of human kinase Aurora A
Descriptor: ADENOSINE, Aurora kinase A
Authors:Wang, J, Zhang, L, Ding, J.
Deposit date:2013-12-14
Release date:2014-12-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Functional Role of Conserved HxD-histidine in the Catalytic Core of Protein Kinases
To be Published
4O0W
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BU of 4o0w by Molmil
Crystal structures of human kinase Aurora A
Descriptor: ADENOSINE, Aurora kinase A
Authors:Wang, J, Zhang, L, Ding, J.
Deposit date:2013-12-14
Release date:2014-12-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Functional Role of Conserved HxD-histidine in the Catalytic Core of Protein Kinase
To be Published
6DHA
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BU of 6dha by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Hydroxy Pioglitazone (M-IV)
Descriptor: Hydroxy Pioglitazone (M-IV), Peroxisome proliferator-activated receptor gamma, nonanoic acid
Authors:Shang, J, Mosure, S.A, Kojetin, D.J.
Deposit date:2018-05-18
Release date:2019-03-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structural Basis of Altered Potency and Efficacy Displayed by a Major in Vivo Metabolite of the Antidiabetic PPAR gamma Drug Pioglitazone.
J. Med. Chem., 62, 2019
4EMM
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BU of 4emm by Molmil
Crystal structure of Staphylococcus aureus ClpP in compact conformation
Descriptor: ATP-dependent Clp protease proteolytic subunit
Authors:Zhang, J, Liu, H, Yang, C.-G.
Deposit date:2012-04-12
Release date:2013-04-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Helix unfolding/refolding characterizes the functional dynamics of Staphylococcus aureus Clp protease
J.Biol.Chem., 288, 2013
8WKX
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BU of 8wkx by Molmil
Cryo-EM structure of DSR2
Descriptor: SIR2-like domain-containing protein
Authors:Gao, A, Huang, J, Zhu, K.
Deposit date:2023-09-28
Release date:2024-05-22
Method:ELECTRON MICROSCOPY (4.15 Å)
Cite:Molecular basis of bacterial DSR2 anti-phage defense and viral immune evasion.
Nat Commun, 15, 2024
8WKS
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BU of 8wks by Molmil
Cryo-EM structure of DSR2-TUBE complex
Descriptor: SIR2-like domain-containing protein, TUBE
Authors:Gao, A, Huang, J, Zhu, K.
Deposit date:2023-09-28
Release date:2024-05-22
Method:ELECTRON MICROSCOPY (3.58 Å)
Cite:Molecular basis of bacterial DSR2 anti-phage defense and viral immune evasion.
Nat Commun, 15, 2024
8WKT
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BU of 8wkt by Molmil
Cryo-EM structure of DSR2-DSAD1 complex
Descriptor: SIR2-like domain-containing protein, SPbeta prophage-derived uncharacterized protein YotI
Authors:Gao, A, Huang, J, Zhu, K.
Deposit date:2023-09-28
Release date:2024-05-22
Method:ELECTRON MICROSCOPY (3.86 Å)
Cite:Molecular basis of bacterial DSR2 anti-phage defense and viral immune evasion.
Nat Commun, 15, 2024
9AYJ
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BU of 9ayj by Molmil
Cryo-EM structure of human Cav3.2 with TTA-P2
Descriptor: 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,5-dichloro-N-[(1-{[(4S)-2,2-dimethyloxan-4-yl]methyl}-4-fluoropiperidin-4-yl)methyl]benzamide, ...
Authors:Fan, X, Huang, J, Yan, N.
Deposit date:2024-03-07
Release date:2024-04-24
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis for human Ca v 3.2 inhibition by selective antagonists.
Cell Res., 34, 2024
9AYK
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BU of 9ayk by Molmil
Cryo-EM structure of human Cav3.2 with ML218
Descriptor: 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,5-dichloro-N-{[(1R,5S,6r)-3-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl}benzamide, ...
Authors:Fan, X, Huang, J, Yan, N.
Deposit date:2024-03-08
Release date:2024-04-24
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis for human Ca v 3.2 inhibition by selective antagonists.
Cell Res., 34, 2024
9AYL
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BU of 9ayl by Molmil
Cryo-EM structure of human Cav3.2 with ACT-709478
Descriptor: 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Fan, X, Huang, J, Yan, N.
Deposit date:2024-03-08
Release date:2024-04-24
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural basis for human Ca v 3.2 inhibition by selective antagonists.
Cell Res., 34, 2024
9AYG
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BU of 9ayg by Molmil
Cryo-EM structure of apo state human Cav3.2
Descriptor: 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Fan, X, Huang, J, Yan, N.
Deposit date:2024-03-07
Release date:2024-04-24
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis for human Ca v 3.2 inhibition by selective antagonists.
Cell Res., 34, 2024
9AYH
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BU of 9ayh by Molmil
Cryo-EM structure of human Cav3.2 with TTA-A2
Descriptor: 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-(4-cyclopropylphenyl)-N-{(1R)-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethyl}acetamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Fan, X, Huang, J, Yan, N.
Deposit date:2024-03-07
Release date:2024-04-24
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis for human Ca v 3.2 inhibition by selective antagonists.
Cell Res., 34, 2024
4NX2
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BU of 4nx2 by Molmil
Crystal structure of DCYRS complexed with DCY
Descriptor: 3,5-dichloro-L-tyrosine, Tyrosine--tRNA ligase
Authors:Wang, J, Gong, W, Li, J, Gao, F, Li, H.
Deposit date:2013-12-08
Release date:2014-09-24
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Significant expansion of fluorescent protein sensing ability through the genetic incorporation of superior photo-induced electron-transfer quenchers.
J.Am.Chem.Soc., 136, 2014
8WD0
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BU of 8wd0 by Molmil
Crystal structure of T2R-TTL-Erianin complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol, CALCIUM ION, ...
Authors:Yang, J.
Deposit date:2023-09-14
Release date:2024-07-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The cytotoxic natural compound erianin binds to colchicine site of beta-tubulin and overcomes taxane resistance
Bioorg.Chem., 150, 2024
5HC2
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BU of 5hc2 by Molmil
Structure of esterase Est22 mutant-S188A with p-nitrophenol
Descriptor: IMIDAZOLE, Lipolytic enzyme, P-NITROPHENOL
Authors:Li, J, Huang, J.
Deposit date:2016-01-04
Release date:2017-01-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.986 Å)
Cite:Structural insights of a hormone sensitive lipase homologue Est22.
Sci Rep, 6, 2016
5HC3
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BU of 5hc3 by Molmil
The structure of esterase Est22
Descriptor: GLYCEROL, Lipolytic enzyme
Authors:Li, J, Huang, J.
Deposit date:2016-01-04
Release date:2017-01-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural insights of a hormone sensitive lipase homologue Est22.
Sci Rep, 6, 2016
4Z64
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BU of 4z64 by Molmil
the plant peptide hormone receptor complex in arabidopsis
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Phytosulfokine, ...
Authors:Chai, J, Wang, J, Han, Z.
Deposit date:2015-04-03
Release date:2016-03-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.659 Å)
Cite:Allosteric receptor activation by the plant peptide hormone phytosulfokine
Nature, 525, 2015
4Z63
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BU of 4z63 by Molmil
The plant peptide hormone receptor in arabidopsis
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Phytosulfokine, Phytosulfokine receptor 1
Authors:Chai, J, Wang, J, Han, Z.
Deposit date:2015-04-03
Release date:2016-03-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.514 Å)
Cite:Allosteric receptor activation by the plant peptide hormone phytosulfokine
Nature, 525, 2015
5HWT
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BU of 5hwt by Molmil
Crystal structure of apo-PAS1
Descriptor: Sensor histidine kinase TodS
Authors:Hwang, J, Koh, S.
Deposit date:2016-01-29
Release date:2016-03-02
Last modified:2017-12-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Molecular Insights into Toluene Sensing in the TodS/TodT Signal Transduction System.
J. Biol. Chem., 291, 2016
5HWW
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BU of 5hww by Molmil
Crystal structure of PAS1 complexed with 1,2,4-TMB
Descriptor: 1,2,4-trimethylbenzene, Sensor histidine kinase TodS
Authors:Hwang, J, Koh, S.
Deposit date:2016-01-29
Release date:2016-03-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular Insights into Toluene Sensing in the TodS/TodT Signal Transduction System.
J. Biol. Chem., 291, 2016
5HWV
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BU of 5hwv by Molmil
Crystal structure of PAS1 complexed with toluene
Descriptor: Sensor histidine kinase TodS, TOLUENE
Authors:Hwang, J, Koh, S.
Deposit date:2016-01-29
Release date:2016-03-02
Last modified:2017-12-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Molecular Insights into Toluene Sensing in the TodS/TodT Signal Transduction System.
J. Biol. Chem., 291, 2016
6MG1
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BU of 6mg1 by Molmil
C-terminal bZIP domain of human C/EBPbeta with 16bp Methylated Oligonucleotide Containing Consensus Recognition Sequence-C2 Crystal Form
Descriptor: 1,2-ETHANEDIOL, 16-bp methylated oligonucleotide, CCAAT/enhancer-binding protein beta, ...
Authors:Horton, J.R, Cheng, X, Yang, J.
Deposit date:2018-09-12
Release date:2018-12-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural basis for effects of CpA modifications on C/EBP beta binding of DNA.
Nucleic Acids Res., 47, 2019
6MG3
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BU of 6mg3 by Molmil
V285A Mutant of the C-terminal bZIP domain of human C/EBPbeta with 16bp Methylated Oligonucleotide Containing Consensus Recognition Sequence
Descriptor: 1,2-ETHANEDIOL, 16-bp methylated oligonucleotide, CCAAT/enhancer-binding protein beta
Authors:Horton, J.R, Cheng, X, Yang, J.
Deposit date:2018-09-12
Release date:2018-12-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural basis for effects of CpA modifications on C/EBP beta binding of DNA.
Nucleic Acids Res., 47, 2019
6MG2
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BU of 6mg2 by Molmil
C-terminal bZIP domain of human C/EBPbeta with 16bp Methylated Oligonucleotide Containing Consensus Recognition Sequence-C2221 Crystal Form
Descriptor: 1,2-ETHANEDIOL, 16-bp methylated oligonucleotide, CCAAT/enhancer-binding protein beta
Authors:Horton, J.R, Cheng, X, Yang, J.
Deposit date:2018-09-12
Release date:2018-12-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.928 Å)
Cite:Structural basis for effects of CpA modifications on C/EBP beta binding of DNA.
Nucleic Acids Res., 47, 2019
6WOK
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BU of 6wok by Molmil
Crystal structure of estrogen receptor alpha in complex with receptor degrader 6
Descriptor: (1R,3R)-1-(2,6-difluoro-4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-beta-carboline, (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol, Estrogen receptor
Authors:Kiefer, J.R, Vinogradova, M, Liang, J, Zhang, B, Wang, X, Labadie, S.
Deposit date:2020-04-24
Release date:2020-07-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.309 Å)
Cite:Discovery of GNE-149 as a Full Antagonist and Efficient Degrader of Estrogen Receptor alpha for ER+ Breast Cancer.
Acs Med.Chem.Lett., 11, 2020

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PDB entries from 2024-07-31

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