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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
5Y59
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BU of 5y59 by Molmil
Crystal structure of Ku80 and Sir4
Descriptor: ATP-dependent DNA helicase II subunit 2, SULFATE ION, Sir4p
Authors:Chen, H, Xue, J, Wu, J, Lei, M.
Deposit date:2017-08-08
Release date:2017-12-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.402 Å)
Cite:Structural Insights into Yeast Telomerase Recruitment to Telomeres
Cell, 172, 2018
5Y5A
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BU of 5y5a by Molmil
Crystal structure of Est1 and Cdc13
Descriptor: KLLA0F20702p, KLLA0F20922p
Authors:Chen, H, Xue, J, Wu, J, Lei, M.
Deposit date:2017-08-08
Release date:2017-12-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.206 Å)
Cite:Structural Insights into Yeast Telomerase Recruitment to Telomeres
Cell, 172, 2018
5Y58
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BU of 5y58 by Molmil
Crystal structure of Ku70/80 and TLC1
Descriptor: ATP-dependent DNA helicase II subunit 1, ATP-dependent DNA helicase II subunit 2, TLC1
Authors:Chen, H, Xue, J, Wu, J, Lei, M.
Deposit date:2017-08-08
Release date:2017-12-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Insights into Yeast Telomerase Recruitment to Telomeres
Cell, 172, 2018
6AGK
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BU of 6agk by Molmil
The structure of CH-II-77-tubulin complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Chen, H, Arnst, K, Wang, Y, Miller, D, Li, W.
Deposit date:2018-08-13
Release date:2019-08-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-Activity Relationship Study of Novel 6-Aryl-2-benzoyl-pyridines as Tubulin Polymerization Inhibitors with Potent Antiproliferative Properties.
J.Med.Chem., 63, 2020
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
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
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
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
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
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
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
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
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
1CDW
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BU of 1cdw by Molmil
HUMAN TBP CORE DOMAIN COMPLEXED WITH DNA
Descriptor: DNA (5'-D(*CP*AP*GP*CP*CP*TP*TP*TP*TP*AP*TP*AP*GP*CP*AP*G)-3'), DNA (5'-D(*CP*TP*GP*CP*TP*AP*TP*AP*AP*AP*AP*GP*GP*CP*TP*G)-3'), PROTEIN (TATA BINDING PROTEIN (TBP))
Authors:Nikolov, D.B, Chen, H, Halay, E.D, Hoffmann, A, Roeder, R.G, Burley, S.K.
Deposit date:1996-04-11
Release date:1996-12-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of a human TATA box-binding protein/TATA element complex.
Proc.Natl.Acad.Sci.USA, 93, 1996
7RSP
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BU of 7rsp by Molmil
Structure of the VPS34 kinase domain with compound 14
Descriptor: (7R,8R)-2-[(3R)-3-methylmorpholin-4-yl]-7-(propan-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3
Authors:Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M.
Deposit date:2021-08-11
Release date:2021-11-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors.
J.Med.Chem., 65, 2022
7RSV
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BU of 7rsv by Molmil
Structure of the VPS34 kinase domain with compound 5
Descriptor: (5aS,8aR,9S)-2-[(3R)-3-methylmorpholin-4-yl]-5,5a,6,7,8,8a-hexahydro-4H-cyclopenta[e]pyrazolo[1,5-a]pyrazin-4-one, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3, ...
Authors:Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M.
Deposit date:2021-08-11
Release date:2021-11-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors.
J.Med.Chem., 65, 2022
7RSJ
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BU of 7rsj by Molmil
Structure of the VPS34 kinase domain with compound 14
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, N-{4-[(7R,8R)-4-oxo-7-(propan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]pyridin-2-yl}cyclopropanecarboxamide, ...
Authors:Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M.
Deposit date:2021-08-11
Release date:2021-11-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.881 Å)
Cite:Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors.
J.Med.Chem., 65, 2022

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