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PDB: 43087 results

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
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:2024-11-13
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
8ATP
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BU of 8atp by Molmil
Small molecule stabilizer (1075481) for ERalpha and 14-3-3
Descriptor: 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-[4-[(4-chlorophenyl)amino]piperidin-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide, Estrogen receptor, ...
Authors:Vandenboorn, E.M.F, Visser, E.J, Ottmann, C.
Deposit date:2022-08-23
Release date:2023-09-20
Last modified:2024-11-20
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
8AUS
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BU of 8aus by Molmil
Small molecular stabilizer for ERalpha and 14-3-3 (1080297)
Descriptor: 14-3-3 protein sigma, 2-chloranyl-~{N}-[[7-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonyl-7-azaspiro[3.5]nonan-2-yl]methyl]ethanamide, Estrogen receptor, ...
Authors:Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
Deposit date:2022-08-25
Release date:2023-09-20
Last modified:2024-10-23
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
8AV4
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BU of 8av4 by Molmil
Small molecular stabilizer for ERalpha and 14-3-3 (1075305)
Descriptor: 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-[4-(4-chloranylphenoxy)oxan-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide, Estrogen receptor, ...
Authors:Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
Deposit date:2022-08-26
Release date:2023-09-20
Last modified:2024-10-16
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
7PSX
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BU of 7psx by Molmil
Structure of HOXB13 bound to hydroxymethylated DNA
Descriptor: DNA (5'-D(P*GP*GP*AP*CP*CP*TP*5HCP*AP*TP*AP*AP*AP*AP*CP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*TP*GP*TP*TP*TP*TP*AP*CP*GP*AP*GP*GP*TP*CP*C)-3'), Homeobox protein Hox-B13, ...
Authors:Morgunova, E, Popov, A, Yin, Y, Taipale, J.
Deposit date:2021-09-24
Release date:2022-10-05
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of HOXB13 bound to hydroxymethylated DNA
To Be Published
8V6G
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BU of 8v6g by Molmil
DNA initiation complex (configuration 1) of Xenopus laevis DNA polymerase alpha-primase
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA polymerase alpha catalytic subunit, DNA polymerase alpha subunit B, ...
Authors:Mullins, E.A, Durie, C.L, Ohi, M.D, Chazin, W.J, Eichman, B.F.
Deposit date:2023-12-01
Release date:2023-12-20
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (11.16 Å)
Cite:A mechanistic model of primer synthesis from catalytic structures of DNA polymerase alpha-primase.
Nat.Struct.Mol.Biol., 31, 2024
8V6H
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BU of 8v6h by Molmil
DNA initiation complex (configuration 2) of Xenopus laevis DNA polymerase alpha-primase
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA polymerase alpha catalytic subunit, DNA polymerase alpha subunit B, ...
Authors:Mullins, E.A, Durie, C.L, Ohi, M.D, Chazin, W.J, Eichman, B.F.
Deposit date:2023-12-01
Release date:2023-12-20
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (11.11 Å)
Cite:A mechanistic model of primer synthesis from catalytic structures of DNA polymerase alpha-primase.
Nat.Struct.Mol.Biol., 31, 2024
7NWT
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BU of 7nwt by Molmil
Initiated 70S ribosome in complex with 2A protein from encephalomyocarditis virus (EMCV)
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Hill, C.H, Napthine, S, Pekarek, L, Kibe, A, Firth, A.E, Graham, S.C, Caliskan, N, Brierley, I.
Deposit date:2021-03-17
Release date:2021-12-15
Last modified:2025-03-19
Method:ELECTRON MICROSCOPY (2.66 Å)
Cite:Structural and molecular basis for Cardiovirus 2A protein as a viral gene expression switch
Nat Commun, 12, 2021
6X80
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BU of 6x80 by Molmil
Structure of the Campylobacter jejuni G508A Flagellar Filament
Descriptor: 5,7-diamino-3,5,7,9-tetradeoxy-L-glycero-alpha-L-manno-non-2-ulopyranosonic acid, Flagellin A
Authors:Kreutzberger, M.A.B, Wang, F, Egelman, E.H.
Deposit date:2020-06-01
Release date:2020-07-08
Last modified:2025-06-04
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Atomic structure of the Campylobacter jejuni flagellar filament reveals how epsilon Proteobacteria escaped Toll-like receptor 5 surveillance.
Proc.Natl.Acad.Sci.USA, 117, 2020
6P4F
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BU of 6p4f by Molmil
Crystal structure of the XPB-Bax1-forked DNA ternary complex
Descriptor: CHLORIDE ION, DNA (5'-D(*TP*TP*GP*AP*CP*TP*CP*AP*AP*CP*AP*TP*CP*CP*TP*TP*TP*GP*CP*TP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*GP*TP*AP*GP*GP*TP*TP*TP*CP*CP*AP*TP*GP*TP*TP*GP*AP*GP*TP*CP*A)-3'), ...
Authors:He, F, Hilario, E, Fan, L.
Deposit date:2019-05-27
Release date:2020-06-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.55 Å)
Cite:Structural basis of the XPB helicase-Bax1 nuclease complex interacting with the repair bubble DNA.
Nucleic Acids Res., 48, 2020
4XDS
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BU of 4xds by Molmil
Deoxyguanosinetriphosphate Triphosphohydrolase from Escherichia coli with Nickel
Descriptor: Deoxyguanosinetriphosphate triphosphohydrolase, NICKEL (II) ION, SULFATE ION
Authors:Singh, D, Gawel, D, Itsko, M, Krahn, J.M, London, R.E, Schaaper, R.M.
Deposit date:2014-12-19
Release date:2015-02-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.354 Å)
Cite:Structure of Escherichia coli dGTP Triphosphohydrolase: A HEXAMERIC ENZYME WITH DNA EFFECTOR MOLECULES.
J.Biol.Chem., 290, 2015
6X9F
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BU of 6x9f by Molmil
Pseudomonas aeruginosa MurC with AZ8074
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Horanyi, P.S, Mayclin, S.J, Durand-Reville, T.F, Lorimer, D.D, Edwards, T.E, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-06-02
Release date:2020-09-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Pseudomonas aeruginosa MurC with AZ8074
To Be Published
7NGJ
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BU of 7ngj by Molmil
Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound
Descriptor: 4-methyl-~{N}-(phenylmethyl)piperidine-1-carboxamide, HTH-type transcriptional regulator EthR
Authors:Tomlinson, C.W.E, Tatum, N.J, Pohl, E.
Deposit date:2021-02-09
Release date:2022-02-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization
To Be Published
7NGD
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BU of 7ngd by Molmil
Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound
Descriptor: 4-methyl-~{N}-(4-phenylbutyl)piperidine-1-carboxamide, HTH-type transcriptional regulator EthR
Authors:Tomlinson, C.W.E, Tatum, N.J, Pohl, E.
Deposit date:2021-02-09
Release date:2022-02-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization
To Be Published
7NGS
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BU of 7ngs by Molmil
Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound
Descriptor: 4-methyl-~{N}-pentyl-piperidine-1-carboxamide, HTH-type transcriptional regulator EthR
Authors:Tomlinson, C.W.E, Tatum, N.J, Pohl, E.
Deposit date:2021-02-09
Release date:2022-02-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization
To Be Published
7NGX
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BU of 7ngx by Molmil
Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound
Descriptor: 4-methyl-~{N}-undecyl-pyridine-1-carboxamide, HTH-type transcriptional regulator EthR
Authors:Tomlinson, C.W.E, Tatum, N.J, Pohl, E.
Deposit date:2021-02-09
Release date:2022-02-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization
To Be Published
7NGO
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BU of 7ngo by Molmil
Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound
Descriptor: HTH-type transcriptional regulator EthR, ~{N}-(furan-2-ylmethyl)-4-methyl-piperidine-1-carboxamide
Authors:Tomlinson, C.W.E, Tatum, N.J, Pohl, E.
Deposit date:2021-02-09
Release date:2022-02-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization
To Be Published
7NGK
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BU of 7ngk by Molmil
Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound
Descriptor: HTH-type transcriptional regulator EthR, SULFATE ION, ~{N}-cyclohexyl-4-methyl-piperidine-1-carboxamide
Authors:Tomlinson, C.W.E, Tatum, N.J, Pohl, E.
Deposit date:2021-02-09
Release date:2022-02-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization
To Be Published
7NGT
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BU of 7ngt by Molmil
Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound
Descriptor: HTH-type transcriptional regulator EthR, SULFATE ION, ~{N}-butyl-4-methyl-piperidine-1-carboxamide
Authors:Tomlinson, C.W.E, Tatum, N.J, Pohl, E.
Deposit date:2021-02-09
Release date:2022-02-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization
To Be Published
7NGN
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BU of 7ngn by Molmil
Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound
Descriptor: HTH-type transcriptional regulator EthR, SULFATE ION, ~{N}-cycloheptyl-4-methyl-piperidine-1-carboxamide
Authors:Tomlinson, C.W.E, Tatum, N.J, Pohl, E.
Deposit date:2021-02-09
Release date:2022-02-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization
To Be Published
7NGR
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BU of 7ngr by Molmil
Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound
Descriptor: 4-methyl-~{N}-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide, HTH-type transcriptional regulator EthR
Authors:Tomlinson, C.W.E, Tatum, N.J, Pohl, E.
Deposit date:2021-02-09
Release date:2022-02-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization
To Be Published
7NGG
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BU of 7ngg by Molmil
Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound
Descriptor: HTH-type transcriptional regulator EthR, ~{N}-(4-chlorophenyl)-4-methyl-piperidine-1-carboxamide
Authors:Tomlinson, C.W.E, Tatum, N.J, Pohl, E.
Deposit date:2021-02-09
Release date:2022-02-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization
To Be Published
7NGM
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BU of 7ngm by Molmil
Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound
Descriptor: 4-methyl-~{N}-[(1~{R})-1-phenylethyl]piperidine-1-carboxamide, HTH-type transcriptional regulator EthR
Authors:Tomlinson, C.W.E, Tatum, N.J, Pohl, E.
Deposit date:2021-02-09
Release date:2022-02-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization
To Be Published
7NGI
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BU of 7ngi by Molmil
Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound
Descriptor: HTH-type transcriptional regulator EthR, SULFATE ION, ~{N}-[2-(2-fluorophenyl)ethyl]-4-methyl-piperidine-1-carboxamide
Authors:Tomlinson, C.W.E, Tatum, N.J, Pohl, E.
Deposit date:2021-02-09
Release date:2022-02-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization
To Be Published

238582

数据于2025-07-09公开中

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