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PDB: 78 件
7P09
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BU of 7p09 by Molmil
Human mitochondrial Lon protease with substrate in the ATPase domain
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Lon protease homolog, ...
著者Valentin Gese, G, Shahzad, S, Hallberg, B.M.
登録日2021-06-29
公開日2021-08-11
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献A dual allosteric pathway drives human mitochondrial Lon
To Be Published
9BDX
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BU of 9bdx by Molmil
NF-kappaB RelA homo-dimer bound to CG-centric kappaB DNA
分子名称: DNA (5'-D(*AP*TP*CP*AP*CP*TP*GP*GP*AP*AP*GP*TP*TP*CP*CP*CP*AP*GP*T)-3'), DNA (5'-D(P*AP*CP*TP*GP*GP*GP*AP*AP*CP*TP*TP*CP*CP*AP*GP*TP*GP*AP*T)-3'), Transcription factor p65
著者Biswas, T, Shahabi, S, Tsodikov, O.V, Ghosh, G.
登録日2024-04-12
公開日2024-04-24
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Transient interactions modulate the affinity of NF-kappa B transcription factors for DNA.
Proc.Natl.Acad.Sci.USA, 121, 2024
9BDW
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BU of 9bdw by Molmil
NF-kappaB RelA homo-dimer bound to GC-centric kappaB DNA
分子名称: DNA (5'-D(P*AP*CP*TP*GP*GP*GP*AP*AP*GP*TP*TP*CP*CP*AP*GP*TP*GP*AP*T)-3'), DNA (5'-D(P*AP*TP*CP*AP*CP*TP*GP*GP*AP*AP*CP*TP*TP*CP*CP*CP*AP*GP*T)-3'), SULFATE ION, ...
著者Biswas, T, Shahabi, S, Tsodikov, O.V, Huang, D, Ghosh, G.
登録日2024-04-12
公開日2024-04-24
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Transient interactions modulate the affinity of NF-kappa B transcription factors for DNA.
Proc.Natl.Acad.Sci.USA, 121, 2024
9BDV
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BU of 9bdv by Molmil
NF-kappaB RelA homo-dimer bound to TA-centric kappaB DNA
分子名称: DNA (5'-D(*AP*TP*CP*AP*CP*TP*GP*GP*AP*AP*AP*TP*TP*CP*CP*CP*AP*GP*T)-3'), DNA (5'-D(P*AP*CP*TP*GP*GP*GP*AP*AP*TP*TP*TP*CP*CP*AP*GP*TP*GP*AP*T)-3'), SULFATE ION, ...
著者Biswas, T, Shahabi, S, Tsodikov, O.V.
登録日2024-04-12
公開日2024-04-24
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Transient interactions modulate the affinity of NF-kappa B transcription factors for DNA.
Proc.Natl.Acad.Sci.USA, 121, 2024
7P0M
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BU of 7p0m by Molmil
Human mitochondrial Lon protease with substrate in the ATPase and protease domains
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Lon protease homolog, ...
著者Valentin Gese, G, Shahzad, S, Hallberg, B.M.
登録日2021-06-30
公開日2021-08-11
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (2.75 Å)
主引用文献A dual allosteric pathway drives human mitochondrial Lon
To Be Published
6ND7
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BU of 6nd7 by Molmil
The crystal structure of TerB co-crystallized with polyporic acid
分子名称: 2~3~,2~6~-dihydroxy[1~1~,2~1~:2~4~,3~1~-terphenyl]-2~2~,2~5~-dione, GLYCEROL, ISOPROPYL ALCOHOL, ...
著者Clinger, J.A, Elshahawi, S.I, Zhang, Y, Hall, R.P, Liu, Y, Thorson, J.S, Phillips Jr, G.N.
登録日2018-12-13
公開日2019-12-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Structure and Function of Terfestatin Biosynthesis Enzymes TerB and TerC
To Be Published
6D34
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BU of 6d34 by Molmil
Apo Crystal Structure of TerC, a Terfestatin Biosynthesis Enzyme
分子名称: ISOPROPYL ALCOHOL, TerC
著者Clinger, J.A, Elshahawi, S.I, Zhang, Y, Hall, R.P, Liu, Y, Thorson, J.S, Phillips Jr, G.N.
登録日2018-04-14
公開日2018-06-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure and Function of Terfestatin Biosynthesis Enzymes TerB and TerC
To Be Published
9BDY
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BU of 9bdy by Molmil
AT-centric NF-kappaB RelA binding DNA
分子名称: ACETATE ION, DNA (5'-D(*CP*GP*GP*AP*AP*TP*TP*TP*CP*CP*CP*G)-3'), DNA (5'-D(*CP*GP*GP*GP*AP*AP*AP*TP*TP*CP*CP*G)-3'), ...
著者Biswas, T, Shahabi, S, Tsodikov, O.V, Ghosh, G.
登録日2024-04-13
公開日2024-08-07
最終更新日2024-08-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Transient interactions modulate the affinity of NF-kappa B transcription factors for DNA.
Proc.Natl.Acad.Sci.USA, 121, 2024
9BE0
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BU of 9be0 by Molmil
GC-centric NF-kappaB RelA binding DNA
分子名称: ACETATE ION, DNA (5'-D(*CP*GP*GP*GP*AP*AP*GP*TP*TP*CP*CP*GP*CP*GP*GP*AP*AP*CP*TP*TP*CP*CP*CP*G)-3'), ZINC ION
著者Biswas, T, Shahabi, S, Tsodikov, O.V, Ghosh, G.
登録日2024-04-13
公開日2024-08-07
最終更新日2024-08-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Transient interactions modulate the affinity of NF-kappa B transcription factors for DNA.
Proc.Natl.Acad.Sci.USA, 121, 2024
9BE1
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BU of 9be1 by Molmil
CG-centric NF-kappaB RelA binding DNA
分子名称: ACETATE ION, DNA (5'-D(*CP*GP*GP*GP*AP*AP*TP*TP*TP*CP*CP*GP*CP*GP*GP*AP*AP*AP*TP*TP*CP*CP*CP*G)-3'), ZINC ION
著者Biswas, T, Shahabi, S, Tsodikov, O.V, Wang, V, Ghosh, G.
登録日2024-04-13
公開日2024-08-07
最終更新日2024-08-21
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Transient interactions modulate the affinity of NF-kappa B transcription factors for DNA.
Proc.Natl.Acad.Sci.USA, 121, 2024
9BDZ
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BU of 9bdz by Molmil
TA-centric NF-kappaB RelA binding DNA
分子名称: ACETATE ION, ZINC ION, double-stranded DNA
著者Biswas, T, Shahabi, S, Tsodikov, O.V, Wang, V, Ghosh, G.
登録日2024-04-13
公開日2024-08-07
最終更新日2024-08-21
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Transient interactions modulate the affinity of NF-kappa B transcription factors for DNA.
Proc.Natl.Acad.Sci.USA, 121, 2024
8G69
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BU of 8g69 by Molmil
Wildtype PTP1b in complex with DES5743
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(5-ethyl-3-methyl-1H-pyrazol-1-yl)aniline, MAGNESIUM ION, ...
著者Greisman, J.B, Willmore, L, Yeh, C.Y, Giordanetto, F, Shahamadtar, S, Nisonoff, H, Maragakis, P, Shaw, D.E.
登録日2023-02-14
公開日2023-04-26
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Discovery and Validation of the Binding Poses of Allosteric Fragment Hits to Protein Tyrosine Phosphatase 1b: From Molecular Dynamics Simulations to X-ray Crystallography.
J.Chem.Inf.Model., 63, 2023
8G68
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BU of 8g68 by Molmil
Wildtype PTP1b in complex with DES5742
分子名称: 4-(3-ethyl-5-methyl-1H-pyrazol-1-yl)aniline, Tyrosine-protein phosphatase non-receptor type 1
著者Greisman, J.B, Willmore, L, Yeh, C.Y, Giordanetto, F, Shahamadtar, S, Nisonoff, H, Maragakis, P, Shaw, D.E.
登録日2023-02-14
公開日2023-04-26
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Discovery and Validation of the Binding Poses of Allosteric Fragment Hits to Protein Tyrosine Phosphatase 1b: From Molecular Dynamics Simulations to X-ray Crystallography.
J.Chem.Inf.Model., 63, 2023
6D2V
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BU of 6d2v by Molmil
Apo Structure of TerB, an NADP Dependent Oxidoreductase in the Terfestatin Biosynthesis Pathway
分子名称: CHLORIDE ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, THIOCYANATE ION, ...
著者Clinger, J.A, Elshahawi, S.I, Zhang, Y, Hall, R.P, Liu, Y, Thorson, J.S, Phillips Jr, G.N.
登録日2018-04-14
公開日2018-06-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献Structure and Function of Terfestatin Biosynthesis Enzymes TerB and TerC
To Be Published
8SR0
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BU of 8sr0 by Molmil
CryoEM structure of a therapeutic antibody (favezelimab) bound to human LAG3 local refined
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Lymphocyte activation gene 3 protein, favezelimab Fab heavy chain, ...
著者Mishra, A.K, Shahid, S, Karade, S.S, Mariuzza, R.A.
登録日2023-05-05
公開日2023-09-06
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (3.53 Å)
主引用文献CryoEM structure of a therapeutic antibody (favezelimab) bound to human LAG3 determined using a bivalent Fab as fiducial marker.
Structure, 31, 2023
8G67
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BU of 8g67 by Molmil
Wildtype PTP1b in complex with DES4884
分子名称: 6-methyl-4-(piperazin-1-yl)-2-(trifluoromethyl)quinoline, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
著者Greisman, J.B, Willmore, L, Yeh, C.Y, Giordanetto, F, Shahamadtar, S, Nisonoff, H, Maragakis, P, Shaw, D.E.
登録日2023-02-14
公開日2023-04-26
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Discovery and Validation of the Binding Poses of Allosteric Fragment Hits to Protein Tyrosine Phosphatase 1b: From Molecular Dynamics Simulations to X-ray Crystallography.
J.Chem.Inf.Model., 63, 2023
8G6A
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BU of 8g6a by Molmil
Wildtype PTP1b in complex with DES6016
分子名称: DIMETHYL SULFOXIDE, MAGNESIUM ION, TRIETHYLENE GLYCOL, ...
著者Greisman, J.B, Willmore, L, Yeh, C.Y, Giordanetto, F, Shahamadtar, S, Nisonoff, H, Maragakis, P, Shaw, D.E.
登録日2023-02-14
公開日2023-04-26
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Discovery and Validation of the Binding Poses of Allosteric Fragment Hits to Protein Tyrosine Phosphatase 1b: From Molecular Dynamics Simulations to X-ray Crystallography.
J.Chem.Inf.Model., 63, 2023
8G65
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BU of 8g65 by Molmil
Wildtype PTP1b in complex with DES4799
分子名称: 4-(3,5-dimethyl-1H-pyrazol-1-yl)aniline, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Greisman, J.B, Willmore, L, Yeh, C.Y, Giordanetto, F, Shahamadtar, S, Nisonoff, H, Maragakis, P, Shaw, D.E.
登録日2023-02-14
公開日2023-04-26
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Discovery and Validation of the Binding Poses of Allosteric Fragment Hits to Protein Tyrosine Phosphatase 1b: From Molecular Dynamics Simulations to X-ray Crystallography.
J.Chem.Inf.Model., 63, 2023
8SO3
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BU of 8so3 by Molmil
CryoEM structure of a therapeutic antibody (favezelimab) bound to human LAG3
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Lymphocyte activation gene 3 protein, favezelimab Fab heavy chain, ...
著者Mishra, A.K, Shahid, S, Karade, S.S, Mariuzza, R.A.
登録日2023-04-28
公開日2023-09-06
最終更新日2023-10-18
実験手法ELECTRON MICROSCOPY (3.61 Å)
主引用文献CryoEM structure of a therapeutic antibody (favezelimab) bound to human LAG3 determined using a bivalent Fab as fiducial marker.
Structure, 31, 2023
5K9M
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BU of 5k9m by Molmil
Crystal Structure of PriB Binary Complex with Product Diphosphate
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PYROPHOSPHATE 2-, PriB Prenyltransferase
著者Cao, H, Elshahawi, S, Benach, J, Wasserman, S.R, Morisco, L.L, Koss, J.W, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro)
登録日2016-06-01
公開日2016-06-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure and specificity of a permissive bacterial C-prenyltransferase.
Nat. Chem. Biol., 13, 2017
5JXM
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BU of 5jxm by Molmil
Crystal Structure of Prenyltransferase PriB Apo Form
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, PriB
著者Cao, H, Elshahawi, S, Benach, J, Wasserman, S.R, Morisco, L.L, Koss, J.W, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro)
登録日2016-05-13
公開日2016-06-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Structure and specificity of a permissive bacterial C-prenyltransferase.
Nat. Chem. Biol., 13, 2017
4Z0X
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BU of 4z0x by Molmil
Structure of Hepatitis C Virus Envelope glycoprotein E2 antigenic region 434-446 bound to the broadly neutralizing antibody HC26AM
分子名称: Antibody HC26AM heavy chain variable domain, Antibody HC26AM light chain variable domain, HCV E2 Antigen (residues 432-446)
著者Rangarajan, S, Shahid, S, Mariuzza, R.A.
登録日2015-03-26
公開日2016-07-20
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Affinity maturation of a broadly neutralizing human monoclonal antibody that prevents acute hepatitis C virus infection in mice.
Hepatology, 64, 2016
6WF4
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BU of 6wf4 by Molmil
Crystal Structure of TerC Co-crystallized with Polyporic Acid
分子名称: (2~5~S)-2~3~,2~5~,2~6~-trihydroxy[1~1~,2~1~:2~4~,3~1~-terphenyl]-2~2~(2~5~H)-one, ISOPROPYL ALCOHOL, Terfestatin Biosyntheis Enzyme C
著者Clinger, J.A, Miller, M.D, Hall, R.E, Zhang, Y, Elshahawi, S.I, Thorson, J.S, Van Lanen, S.G, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro)
登録日2020-04-03
公開日2021-04-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structural and functional characterization of two cooperative enzymes responsible for the stability of p-terphenyls.
To be published
8UQ7
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BU of 8uq7 by Molmil
Alzheimer's disease PHF complexed with PET ligand MK-6240
分子名称: 6-fluoro-3-(1H-pyrrolo[2,3-c]pyridin-1-yl)isoquinolin-5-amine, Microtubule-associated protein tau
著者Kunach, P, Shahmoradian, S.H, Diamond, M.I, Rosa-Neto, P.
登録日2023-10-23
公開日2024-09-04
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (2.31 Å)
主引用文献Cryo-EM structure of Alzheimer's disease tau filaments with PET ligand MK-6240.
Nat Commun, 15, 2024
2MJL
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BU of 2mjl by Molmil
Solution structure of peptidyl-tRNA hyrolase from Vibrio cholerae
分子名称: Peptidyl-tRNA hydrolase
著者Kabra, A, Shahid, S, Yadav, R, Pulavarti, S, Shukla, V.K, Arora, A.
登録日2014-01-11
公開日2015-01-21
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution structure of peptidyl-tRNA hydrolase from Vibrio cholerae
To be Published

226707

件を2024-10-30に公開中

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