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7D7W
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BU of 7d7w by Molmil
Crystal Structure of the Domain1 of NAD+ Riboswitch with nicotinamide adenine dinucleotide (NAD+)
Descriptor: 18GAAA (52-MER), GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Chen, H, Ren, A.M.
Deposit date:2020-10-06
Release date:2020-11-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.391 Å)
Cite:Structural distinctions between NAD+ riboswitch domains 1 and 2 determine differential folding and ligand binding.
Nucleic Acids Res., 48, 2020
7D82
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BU of 7d82 by Molmil
Crystal Structure of the Domain2 of NAD+ Riboswitch with nicotinamide adenine dinucleotide (NAD+), soaked in Mn2+
Descriptor: 832GAAA (50-MER), MAGNESIUM ION, MANGANESE (II) ION, ...
Authors:Chen, H, Ren, A.M.
Deposit date:2020-10-06
Release date:2020-11-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.489 Å)
Cite:Structural distinctions between NAD+ riboswitch domains 1 and 2 determine differential folding and ligand binding.
Nucleic Acids Res., 48, 2020
7D81
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BU of 7d81 by Molmil
Crystal Structure of the Domain2 of NAD+ Riboswitch with nicotinamide adenine dinucleotide (NAD+)
Descriptor: 832GAAA (50-MER), MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Chen, H, Ren, A.M.
Deposit date:2020-10-06
Release date:2020-11-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural distinctions between NAD+ riboswitch domains 1 and 2 determine differential folding and ligand binding.
Nucleic Acids Res., 48, 2020
7D7Y
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BU of 7d7y by Molmil
Crystal Structure of the Domain1 of NAD+ Riboswitch with adenosine triphosphate (ATP)
Descriptor: 18GAAA (52-MER), ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Chen, H, Ren, A.M.
Deposit date:2020-10-06
Release date:2020-11-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural distinctions between NAD+ riboswitch domains 1 and 2 determine differential folding and ligand binding.
Nucleic Acids Res., 48, 2020
7D7V
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BU of 7d7v by Molmil
Crystal Structure of the Domain1 of NAD+ Riboswitch with nicotinamide adenine dinucleotide (NAD+) and U1A protein
Descriptor: 17delU1A (58-MER), GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Chen, H, Ren, A.M.
Deposit date:2020-10-06
Release date:2020-11-25
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural distinctions between NAD+ riboswitch domains 1 and 2 determine differential folding and ligand binding.
Nucleic Acids Res., 48, 2020
7D7Z
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BU of 7d7z by Molmil
Crystal Structure of the Domain1 of NAD+ Riboswitch with nicotinamide adenine dinucleotide (NAD+), soaked in Mn2+
Descriptor: 18GAAA(52-MER), GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Chen, H, Ren, A.M.
Deposit date:2020-10-06
Release date:2020-11-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural distinctions between NAD+ riboswitch domains 1 and 2 determine differential folding and ligand binding.
Nucleic Acids Res., 48, 2020
4TOR
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BU of 4tor by Molmil
Crystal structure of Tankyrase 1 with IWR-8
Descriptor: 1-[(1-acetyl-5-bromo-1H-indol-6-yl)sulfonyl]-N-ethyl-N-(3-methylphenyl)piperidine-4-carboxamide, CHLORIDE ION, Tankyrase-1, ...
Authors:Chen, H, Zhang, X, Lum, L, Chen, C.
Deposit date:2014-06-06
Release date:2015-05-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.501 Å)
Cite:Disruption of Wnt/ beta-Catenin Signaling and Telomeric Shortening Are Inextricable Consequences of Tankyrase Inhibition in Human Cells.
Mol.Cell.Biol., 35, 2015
4TOS
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BU of 4tos by Molmil
Crystal structure of Tankyrase 1 with 355
Descriptor: Tankyrase-1, ZINC ION, trans-N-benzyl-4-({1-[(6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}methyl)cyclohexanecarboxamide
Authors:Chen, H, Zhang, X, Lum, l, Chen, C.
Deposit date:2014-06-06
Release date:2015-05-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:Disruption of Wnt/ beta-Catenin Signaling and Telomeric Shortening Are Inextricable Consequences of Tankyrase Inhibition in Human Cells.
Mol.Cell.Biol., 35, 2015
4UY1
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BU of 4uy1 by Molmil
Novel pyrazole series of group X Secretory Phospholipase A2 (sPLA2-X) inhibitors
Descriptor: 5-(2,5-DIMETHYL-3-THIENYL)-1H-PYRAZOLE-3-CARBOXAMIDE, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Sandmark, J, Oster, L, Hallberg, K, Bodin, C, Chen, H.
Deposit date:2014-08-28
Release date:2014-10-15
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of a Novel Pyrazole Series of Group X Secreted Phospholipase A2 Inhibitor (Spla2X) Via Fragment Based Virtual Screening
Bioorg.Med.Chem.Lett., 24, 2014
7T6B
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BU of 7t6b by Molmil
Structure of S1PR2-heterotrimeric G13 signaling complex
Descriptor: (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Li, X, Chen, H.
Deposit date:2021-12-13
Release date:2022-04-06
Last modified:2022-06-29
Method:ELECTRON MICROSCOPY (3.19 Å)
Cite:Structure of S1PR2-heterotrimeric G 13 signaling complex.
Sci Adv, 8, 2022
6W36
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BU of 6w36 by Molmil
Crystal structure of FAM46C
Descriptor: SULFATE ION, Terminal nucleotidyltransferase 5C
Authors:Shang, G.J, Zhang, X.W, Chen, H, Lu, D.F.
Deposit date:2020-03-09
Release date:2020-05-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.854 Å)
Cite:Structural and Functional Analyses of the FAM46C/Plk4 Complex.
Structure, 28, 2020
5UI0
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BU of 5ui0 by Molmil
Crystal Structure of the Tyrosine Kinase Domain of FGF Receptor 2 harboring an E565A/K659M Double Gain-of-Function Mutation
Descriptor: CITRATE ANION, Fibroblast growth factor receptor 2, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
Authors:Mohammadi, M, Chen, H.
Deposit date:2017-01-12
Release date:2017-02-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Elucidation of a four-site allosteric network in fibroblast growth factor receptor tyrosine kinases.
Elife, 6, 2017
5UHN
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BU of 5uhn by Molmil
Crystal Structure of the Tyrosine Kinase Domain of FGF Receptor 2 harboring a N549H/E565A Double Gain-of-Function Mutation
Descriptor: Fibroblast growth factor receptor 2, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
Authors:Mohammadi, M, Chen, H.
Deposit date:2017-01-11
Release date:2017-02-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.909 Å)
Cite:Elucidation of a four-site allosteric network in fibroblast growth factor receptor tyrosine kinases.
Elife, 6, 2017
5UGX
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BU of 5ugx by Molmil
Crystal Structure of the Tyrosine Kinase Domain of FGF Receptor 2 Harboring a E565A/D650V double Gain-of-Function Mutation
Descriptor: Fibroblast growth factor receptor 2, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
Authors:Mohammadi, M, Chen, H.
Deposit date:2017-01-10
Release date:2017-02-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.349 Å)
Cite:Elucidation of a four-site allosteric network in fibroblast growth factor receptor tyrosine kinases.
Elife, 6, 2017
5UGL
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BU of 5ugl by Molmil
Crystal Structure of FGF Receptor 2 Tyrosine Kinase Domain Harboring the D650V Activating Mutation
Descriptor: Fibroblast growth factor receptor 2, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION
Authors:Mohammadi, M, Chen, H.
Deposit date:2017-01-09
Release date:2017-02-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.861 Å)
Cite:Elucidation of a four-site allosteric network in fibroblast growth factor receptor tyrosine kinases.
Elife, 6, 2017
4IPX
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BU of 4ipx by Molmil
Analyzing the visible conformational substates of the FK506 binding protein FKBP12
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Peptidyl-prolyl cis-trans isomerase FKBP1A
Authors:Chen, H, Mustafi, S.M, Li, H.M, LeMaster, D.M, Hernandez, G.
Deposit date:2013-01-10
Release date:2013-06-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Analysing the visible conformational substates of the FK506-binding protein FKBP12.
Biochem.J., 453, 2013
6EG5
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BU of 6eg5 by Molmil
The structure of SB-1-202-tubulin complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-chloropyrido[2,3-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ...
Authors:Banerjee, A.K, Wang, Y, Chen, H, Miller, D, Li, W.
Deposit date:2018-08-18
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The structure of SB-1-202/SB-2-204-tubulin complex
To Be Published
4J98
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BU of 4j98 by Molmil
Crystal Structure of FGF Receptor 2 (FGFR2) Kinase Domain Harboring the Gain-of-Function K659Q Mutation.
Descriptor: Fibroblast growth factor receptor 2, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, SULFATE ION
Authors:Huang, Z, Chen, H, Mohammadi, M.
Deposit date:2013-02-15
Release date:2013-08-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3067 Å)
Cite:Cracking the Molecular Origin of Intrinsic Tyrosine Kinase Activity through Analysis of Pathogenic Gain-of-Function Mutations.
Cell Rep, 4, 2013
6LBC
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BU of 6lbc by Molmil
shrimp ferritin-T158R
Descriptor: FE (III) ION, Ferritin
Authors:Zhao, G, Chen, H, Zhang, T.
Deposit date:2019-11-14
Release date:2020-11-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Construction of thermally robust and porous shrimp ferritin crystalline for molecular encapsulation through intermolecular arginine-arginine attractions.
Food Chem, 349, 2021
6LBD
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BU of 6lbd by Molmil
shrimp ferritin T158R G159R
Descriptor: CHLORIDE ION, FE (III) ION, Ferritin
Authors:Zhao, G, Chen, H.
Deposit date:2019-11-14
Release date:2020-11-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.386 Å)
Cite:Construction of thermally robust and porous shrimp ferritin crystalline for molecular encapsulation through intermolecular arginine-arginine attractions.
Food Chem, 349, 2021
4RVM
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BU of 4rvm by Molmil
CHK1 kinase domain with diazacarbazole compound 19
Descriptor: 3-[4-(piperidin-1-ylmethyl)phenyl]-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile, Serine/threonine-protein kinase Chk1
Authors:Gazzard, L, Blackwood, E, Burton, B, Chapman, K, Chen, H, Crackett, P, Drobnick, J, Ellwood, C, Epler, J, Flagella, M, Goodacre, S, Halladay, J, Hunt, H, Kintz, S, Lyssikatos, J, MacLeod, C, Ramiscal, S, Schmidt, S, Seward, E, Wiesmann, C, Williams, K, Wu, P, Yee, S, Yen, I, Malek, S.
Deposit date:2014-11-26
Release date:2015-06-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Mitigation of Acetylcholine Esterase Activity in the 1,7-Diazacarbazole Series of Inhibitors of Checkpoint Kinase 1.
J.Med.Chem., 58, 2015
4X7N
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BU of 4x7n by Molmil
Co-crystal Structure of PERK bound to 4-[2-amino-4-methyl-3-(2-methylquinolin-6-yl)benzoyl]-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one inhibitor
Descriptor: 4-[2-amino-4-methyl-3-(2-methylquinolin-6-yl)benzoyl]-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one, Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3, L(+)-TARTARIC ACID
Authors:Shaffer, P.L, Long, A.M, Chen, H.
Deposit date:2014-12-09
Release date:2015-01-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Discovery of 1H-Pyrazol-3(2H)-ones as Potent and Selective Inhibitors of Protein Kinase R-like Endoplasmic Reticulum Kinase (PERK).
J.Med.Chem., 58, 2015
4X7J
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BU of 4x7j by Molmil
Co-crystal Structure of PERK with 2-amino-N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide inhibitor
Descriptor: 2-amino-N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide, Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3, L(+)-TARTARIC ACID
Authors:Shaffer, P.L, Long, A.M, Chen, H.
Deposit date:2014-12-09
Release date:2015-01-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of 1H-Pyrazol-3(2H)-ones as Potent and Selective Inhibitors of Protein Kinase R-like Endoplasmic Reticulum Kinase (PERK).
J.Med.Chem., 58, 2015
4X7K
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BU of 4x7k by Molmil
Co-crystal Structure of PERK bound to 4-{2-amino-3-[5-fluoro-2-(methylamino)quinazolin-6-yl]-4-methylbenzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one inhibitor
Descriptor: 4-{2-amino-3-[5-fluoro-2-(methylamino)quinazolin-6-yl]-4-methylbenzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one, Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3, GLYCEROL, ...
Authors:Shaffer, P.L, Long, A.M, Chen, H.
Deposit date:2014-12-09
Release date:2015-01-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of 1H-Pyrazol-3(2H)-ones as Potent and Selective Inhibitors of Protein Kinase R-like Endoplasmic Reticulum Kinase (PERK).
J.Med.Chem., 58, 2015
4X7O
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BU of 4x7o by Molmil
Co-crystal Structure of PERK bound to 1-[5-(4-amino-2,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone inhibitor
Descriptor: 1-[5-(4-amino-2,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone, Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3
Authors:Shaffer, P.L, Long, A.M, Chen, H.
Deposit date:2014-12-09
Release date:2015-01-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery of 1H-Pyrazol-3(2H)-ones as Potent and Selective Inhibitors of Protein Kinase R-like Endoplasmic Reticulum Kinase (PERK).
J.Med.Chem., 58, 2015

220472

数据于2024-05-29公开中

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