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6BYS
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BU of 6bys by Molmil
Structures of the PKA RI alpha holoenzyme with the FLHCC driver J-PKAc alpha or native PRKAc alpha
Descriptor: cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase type I-alpha regulatory subunit
Authors:Cao, B, Lu, T.W, Martinez Fiesco, J.A, Tomasini, M, Fan, L, Simon, S.M, Taylor, S.S, Zhang, P.
Deposit date:2017-12-21
Release date:2019-04-03
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (4.75 Å)
Cite:Structures of the PKA RI alpha Holoenzyme with the FLHCC Driver J-PKAc alpha or Wild-Type PKAc alpha.
Structure, 27, 2019
8AOY
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BU of 8aoy by Molmil
Small molecule stabilizer for ERalpha and 14-3-3 (1075478)
Descriptor: 14-3-3 protein sigma, 2-chloranyl-N-[3-[1-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonylpiperidin-4-yl]propyl]ethanamide, Estrogen receptor, ...
Authors:Konstantinidou, M, Visser, E.J, Vandenboorn, E.M.F, Sheng, C, Jaishankar, P, Overmans, M.J.A.M, Dutta, S, Neitz, J, Renslo, A, Ottmann, C, Brunsveld, L, Arkin, M.
Deposit date:2022-08-09
Release date:2023-09-20
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments.
J.Am.Chem.Soc., 145, 2023
8AZE
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BU of 8aze by Molmil
Small molecule stabilizer for ERalpha and 14-3-3 (1075306)
Descriptor: 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-[1-[(4-chlorophenyl)amino]cyclopentyl]carbonylpiperidin-4-yl]methyl]ethanamide, ERalpha peptide, ...
Authors:Konstantinidou, M, Visser, E.J, Vandenboorn, E.M.F, Sheng, C, Jaishankar, P, Overmans, M.J.A.M, Dutta, S, Neitz, J, Renslo, A, Ottmann, C, Brunsveld, L, Arkin, M.
Deposit date:2022-09-06
Release date:2023-09-20
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments.
J.Am.Chem.Soc., 145, 2023
8AXU
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BU of 8axu by Molmil
Small molecule stabilizer for ERalpha and 14-3-3 (1075297)
Descriptor: 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-[1-(4-chloranylphenoxy)cyclopentyl]carbonylpiperidin-4-yl]methyl]ethanamide, Estrogen receptor, ...
Authors:Konstantinidou, M, Visser, E.J, Vandenboorn, E.M.F, Sheng, C, Jaishankar, P, Overmans, M.J.A.M, Dutta, S, Neitz, J, Renslo, A, Ottmann, C, Brunsveld, L, Arkin, M.
Deposit date:2022-09-01
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments.
J.Am.Chem.Soc., 145, 2023
8AXE
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BU of 8axe by Molmil
Small molecule stabilizer for ERalpha and 14-3-3 (1074210)
Descriptor: 14-3-3 protein sigma, 2-chloranyl-~{N}-[2-[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]ethyl]ethanamide, Estrogen receptor, ...
Authors:Konstantinidou, M, Visser, E.J, Vandenboorn, E.M.F, Sheng, C, Jaishankar, P, Overmans, M.J.A.M, Dutta, S, Neitz, J, Renslo, A, Ottmann, C, Brunsveld, L, Arkin, M.
Deposit date:2022-08-31
Release date:2023-09-20
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments.
J.Am.Chem.Soc., 145, 2023
3J4F
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BU of 3j4f by Molmil
Structure of HIV-1 capsid protein by cryo-EM
Descriptor: capsid protein
Authors:Zhao, G, Perilla, J.R, Meng, X, Schulten, K, Zhang, P.
Deposit date:2013-07-11
Release date:2013-07-24
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (8.6 Å)
Cite:Mature HIV-1 capsid structure by cryo-electron microscopy and all-atom molecular dynamics.
Nature, 497, 2013
3JA6
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BU of 3ja6 by Molmil
Cryo-electron Tomography and All-atom Molecular Dynamics Simulations Reveal a Novel Kinase Conformational Switch in Bacterial Chemotaxis Signaling
Descriptor: Chemotaxis protein CheA, Chemotaxis protein CheW, Methyl-accepting chemotaxis protein 2
Authors:Cassidy, C.K, Himes, B.A, Alvarez, F.J, Ma, J, Zhao, G, Perilla, J.R, Schulten, K, Zhang, P.
Deposit date:2015-04-21
Release date:2015-12-09
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (12.7 Å)
Cite:CryoEM and computer simulations reveal a novel kinase conformational switch in bacterial chemotaxis signaling.
Elife, 4, 2015
6BYR
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BU of 6byr by Molmil
Structures of the PKA RI alpha holoenzyme with the FLHCC driver J-PKAc alpha or native PKAc alpha
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DnaJ homolog subfamily B member 1,cAMP-dependent protein kinase catalytic subunit alpha chimera, MAGNESIUM ION, ...
Authors:Cao, B, Lu, T.W, Martinez Fiesco, J.A, Tomasini, M, Fan, L, Simon, S.M, Taylor, S.S, Zhang, P.
Deposit date:2017-12-21
Release date:2019-04-03
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.661 Å)
Cite:Structures of the PKA RI alpha Holoenzyme with the FLHCC Driver J-PKAc alpha or Wild-Type PKAc alpha.
Structure, 27, 2019
3PSL
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BU of 3psl by Molmil
Fine-tuning the stimulation of MLL1 methyltransferase activity by a histone H3 based peptide mimetic
Descriptor: N-alpha acetylated form of histone H3, WD repeat-containing protein 5
Authors:Avdic, V, Zhang, P, Lanouette, S, Voronova, A, Skerjanc, I, Couture, J.-F.
Deposit date:2010-12-01
Release date:2010-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Fine-tuning the stimulation of MLL1 methyltransferase activity by a histone H3-based peptide mimetic.
Faseb J., 25, 2011
3J34
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BU of 3j34 by Molmil
Structure of HIV-1 Capsid Protein by Cryo-EM
Descriptor: capsid protein
Authors:Zhao, G, Perilla, J.R, Yufenyuy, E, Meng, X, Chen, B, Ning, J, Ahn, J, Gronenborn, A.M, Schulten, K, Aiken, C, Zhang, P.
Deposit date:2013-02-23
Release date:2013-05-29
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (8.6 Å)
Cite:Mature HIV-1 capsid structure by cryo-electron microscopy and all-atom molecular dynamics.
Nature, 497, 2013
3J3Q
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BU of 3j3q by Molmil
Atomic-level structure of the entire HIV-1 capsid
Descriptor: capsid protein
Authors:Perilla, J.R, Zhao, G, Zhang, P, Schulten, K.J.
Deposit date:2013-04-12
Release date:2013-05-29
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY
Cite:Mature HIV-1 capsid structure by cryo-electron microscopy and all-atom molecular dynamics.
Nature, 497, 2013
7LKI
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BU of 7lki by Molmil
The crystal structure of Epitope III of HCV envelop protein E2 in complex with antibody 1H8
Descriptor: Epitope III peptide GLY-ALA-PRO-THR-TYR-SER-TRP-GLY, antibody 1H8 heavy chain, antibody 1H8 light chain
Authors:Deng, L, Zhang, P.
Deposit date:2021-02-02
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:A conserved epitope III on hepatitis C virus E2 protein has alternate conformations facilitating cell binding or virus neutralization.
Proc.Natl.Acad.Sci.USA, 118, 2021
3H4P
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BU of 3h4p by Molmil
Proteasome 20S core particle from Methanocaldococcus jannaschii
Descriptor: Proteasome subunit alpha, Proteasome subunit beta
Authors:Jeffrey, P.D, Zhang, F, Hu, M, Tian, G, Zhang, P, Finley, D, Shi, Y.
Deposit date:2009-04-20
Release date:2009-06-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (4.1 Å)
Cite:Structural Insights into the Regulatory Particle of the Proteasome from Methanocaldococcus jannaschii.
Mol.Cell, 34, 2009
4FSY
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BU of 4fsy by Molmil
Crystal Structure of the CHK1
Descriptor: 2-(11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-3-yl)benzamide, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
Deposit date:2012-06-27
Release date:2012-08-22
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of the CHK1
To be Published
4FSM
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BU of 4fsm by Molmil
Crystal Structure of the CHK1
Descriptor: 4-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)phenol, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
Deposit date:2012-06-27
Release date:2012-08-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of the CHK1
To be Published
4FT9
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BU of 4ft9 by Molmil
Crystal Structure of the CHK1
Descriptor: 1-(5-cyanopyrazin-2-yl)-3-isoquinolin-3-ylurea, SULFATE ION, Serine/threonine-protein kinase Chk1
Authors:Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
Deposit date:2012-06-27
Release date:2012-08-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of the CHK1
To be Published
4FSZ
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BU of 4fsz by Molmil
Crystal Structure of the CHK1
Descriptor: (3-chloro-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-8-yl)acetic acid, ISOPROPYL ALCOHOL, SULFATE ION, ...
Authors:Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
Deposit date:2012-06-27
Release date:2012-08-22
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of the CHK1
To be Published
4FTA
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BU of 4fta by Molmil
Crystal Structure of the CHK1
Descriptor: 6-{[(5-cyanopyrazin-2-yl)carbamoyl]amino}naphthalene-2-carboxylic acid, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
Deposit date:2012-06-27
Release date:2012-08-22
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of the CHK1
To be Published
4FTM
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BU of 4ftm by Molmil
Crystal Structure of the CHK1
Descriptor: 4-[2-(2,4-dihydroindeno[1,2-c]pyrazol-3-yl)ethyl]-2-methoxyphenol, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
Deposit date:2012-06-27
Release date:2012-08-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of the CHK1
To be Published
4FTK
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BU of 4ftk by Molmil
Crystal Structure of the CHK1
Descriptor: 3-(4'-hydroxybiphenyl-4-yl)-2,4-dihydroindeno[1,2-c]pyrazol-6-ol, ISOPROPYL ALCOHOL, SULFATE ION, ...
Authors:Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
Deposit date:2012-06-27
Release date:2012-08-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of the CHK1
To be Published
4FSN
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BU of 4fsn by Molmil
Crystal Structure of the CHK1
Descriptor: 4-(6-{[(4-METHYLCYCLOHEXYL)AMINO]METHYL}-1,4-DIHYDROINDENO[1,2-C]PYRAZOL-3-YL)BENZOIC ACID, ISOPROPYL ALCOHOL, SULFATE ION, ...
Authors:Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
Deposit date:2012-06-27
Release date:2012-08-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of the CHK1
To be Published
4FT3
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BU of 4ft3 by Molmil
Crystal Structure of the CHK1
Descriptor: 1-(5-chloro-2,4-dimethoxyphenyl)-3-pyrazin-2-ylurea, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
Deposit date:2012-06-27
Release date:2012-08-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of the CHK1
To be Published
1KQ1
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BU of 1kq1 by Molmil
1.55 A Crystal structure of the pleiotropic translational regulator, Hfq
Descriptor: ACETIC ACID, Host Factor for Q beta
Authors:Schumacher, M.A, Pearson, R.F, Moller, T, Valentin-Hansen, P, Brennan, R.G.
Deposit date:2002-01-03
Release date:2002-07-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structures of the pleiotropic translational regulator Hfq and an Hfq-RNA complex: a bacterial Sm-like protein.
EMBO J., 21, 2002
1KQ2
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BU of 1kq2 by Molmil
Crystal Structure of an Hfq-RNA Complex
Descriptor: 5'-R(*AP*UP*UP*UP*UP*UP*G)-3', Host factor for Q beta
Authors:Schumacher, M.A, Pearson, R.F, Moller, T, Valentin-Hansen, P, Brennan, R.G.
Deposit date:2002-01-03
Release date:2002-07-05
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structures of the pleiotropic translational regulator Hfq and an Hfq-RNA complex: a bacterial Sm-like protein.
EMBO J., 21, 2002
7L7G
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BU of 7l7g by Molmil
Electron cryo-microscopy of the eukaryotic translation initiation factor 2B from Homo sapiens (updated model of PDB ID: 6CAJ)
Descriptor: 2-(4-chloranylphenoxy)-~{N}-[4-[2-(4-chloranylphenoxy)ethanoylamino]cyclohexyl]ethanamide, Translation initiation factor eIF-2B subunit alpha, Translation initiation factor eIF-2B subunit beta, ...
Authors:Tsai, J.C, Miller-Vedam, L.E, Anand, A, Jaishankar, P, Nguyen, H.C, Wang, L, Renslo, A.R, Frost, A, Walter, P.
Deposit date:2020-12-28
Release date:2021-03-24
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3 Å)
Cite:eIF2B conformation and assembly state regulates the integrated stress response.
Elife, 10, 2021

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