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PDB: 34 results

9BA1
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BU of 9ba1 by Molmil
Solution NMR structure of the human LETM1 F-EF-hand domain in the presence of calcium
Descriptor: CALCIUM ION, Mitochondrial proton/calcium exchanger protein
Authors:Lin, Q.T, Stathopulos, P.B.
Deposit date:2024-04-03
Release date:2024-10-16
Method:SOLUTION NMR
Cite:An AI-informed NMR structure reveals an extraordinary LETM1 F-EF-hand domain that functions as a two-way regulator of mitochondrial calcium.
Structure, 2024
8KH6
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BU of 8kh6 by Molmil
Crystal structure of FGFR4 kinase domain with 8r
Descriptor: 1,2-ETHANEDIOL, 1-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-3-[5-bromanyl-6-(hydroxymethyl)-3-methoxy-pyridin-2-yl]urea, Fibroblast growth factor receptor 4, ...
Authors:Lin, Q.M, Chen, X.J, Chen, Y.H.
Deposit date:2023-08-21
Release date:2024-07-31
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Discovery of 6-Formylpyridyl Urea Derivatives as Potent Reversible-Covalent Fibroblast Growth Factor Receptor 4 Inhibitors with Improved Anti-Hepatocellular Carcinoma Activity.
J.Med.Chem., 67, 2024
8JOT
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BU of 8jot by Molmil
Crystal structure of CSF-1R kinase domain with sulfatinib
Descriptor: GLYCEROL, Macrophage colony-stimulating factor 1 receptor, N-(2-(dimethylamino)ethyl)-1-(3-((4-((2-methyl-1H-indol-5-yl)oxy)pyrimidin-2-yl)amino)phenyl)methanesulfonamide
Authors:Lin, Q.M, Chen, X.J, Chen, Y.H.
Deposit date:2023-06-08
Release date:2024-03-27
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Structural basis and selectivity of sulfatinib binding to FGFR and CSF-1R.
Commun Chem, 7, 2024
8KH8
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Crystal structure of FGFR4(V550L) kinase domain with 8z
Descriptor: 1,2-ETHANEDIOL, 1-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-3-[6-methanoyl-5-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3-(2-morpholin-4-ylethoxy)pyridin-2-yl]urea, Fibroblast growth factor receptor 4, ...
Authors:Lin, Q.M, Chen, X.J, Chen, Y.H.
Deposit date:2023-08-21
Release date:2024-07-31
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Discovery of 6-Formylpyridyl Urea Derivatives as Potent Reversible-Covalent Fibroblast Growth Factor Receptor 4 Inhibitors with Improved Anti-Hepatocellular Carcinoma Activity.
J.Med.Chem., 67, 2024
8KH9
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Crystal structure of FGFR4(V550M) kinase domain with 8z
Descriptor: 1,2-ETHANEDIOL, 1-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-3-[6-methanoyl-5-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3-(2-morpholin-4-ylethoxy)pyridin-2-yl]urea, Fibroblast growth factor receptor 4, ...
Authors:Lin, Q.M, Chen, X.J, Chen, Y.H.
Deposit date:2023-08-21
Release date:2024-07-31
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Discovery of 6-Formylpyridyl Urea Derivatives as Potent Reversible-Covalent Fibroblast Growth Factor Receptor 4 Inhibitors with Improved Anti-Hepatocellular Carcinoma Activity.
J.Med.Chem., 67, 2024
8KH7
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BU of 8kh7 by Molmil
Crystal structure of FGFR4 kinase domain with 8zc
Descriptor: 1,2-ETHANEDIOL, 1-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-3-[6-methanoyl-5-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3-(2-morpholin-4-ylethoxy)pyridin-2-yl]urea, Fibroblast growth factor receptor 4, ...
Authors:Lin, Q.M, Chen, X.J, Chen, Y.H.
Deposit date:2023-08-21
Release date:2024-07-31
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Discovery of 6-Formylpyridyl Urea Derivatives as Potent Reversible-Covalent Fibroblast Growth Factor Receptor 4 Inhibitors with Improved Anti-Hepatocellular Carcinoma Activity.
J.Med.Chem., 67, 2024
5XHH
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BU of 5xhh by Molmil
crystal structure of Hcp1 from Salmonella typhimurium
Descriptor: Hcp1 family type VI secretion system effector
Authors:Lin, Q.P, Gao, Z.Q, Zhang, H, Dong, Y.H.
Deposit date:2017-04-21
Release date:2018-03-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:crystal structure of Hcp1 from Salmonella typhimurium
To Be Published
5XEU
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BU of 5xeu by Molmil
crystal structure of Hcp2 from Salmonella typhimurium
Descriptor: Hcp1 family type VI secretion system effector
Authors:Lin, Q.P, Gao, Z.Q, Zhang, H.
Deposit date:2017-04-06
Release date:2017-08-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of the putative cytoplasmic protein STM0279 (Hcp2) from Salmonella typhimurium
Acta Crystallogr F Struct Biol Commun, 73, 2017
7LZ3
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BU of 7lz3 by Molmil
Computational design of constitutively active cGAS
Descriptor: Cyclic GMP-AMP synthase, GLYCEROL, ZINC ION
Authors:Dowling, Q, Volkman, H.E, Gray, E.E, Ovchinnikov, S, Cambier, S, Bera, A.K, Bick, M, Kang, A, Stetson, D.B, King, N.P.
Deposit date:2021-03-08
Release date:2022-03-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Computational design of constitutively active cGAS.
Nat.Struct.Mol.Biol., 30, 2023
7KXS
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BU of 7kxs by Molmil
Computational design of constitutively active cGAS
Descriptor: Cyclic GMP-AMP synthase, ZINC ION
Authors:Dowling, Q, Volkman, H.E, Gray, E.E, Ovchinnikov, S, Cambier, S, Bera, A.K, Bick, M, Kang, A, Stetson, D.B, King, N.P.
Deposit date:2020-12-04
Release date:2021-12-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Computational design of constitutively active cGAS.
Nat.Struct.Mol.Biol., 30, 2023
2PY2
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BU of 2py2 by Molmil
Structure of Herring Type II Antifreeze Protein
Descriptor: Antifreeze protein type II, CALCIUM ION
Authors:Liu, Y, Li, Z, Lin, Q, Seetharaman, J, Sivaraman, J, Hew, C.-L.
Deposit date:2007-05-15
Release date:2007-06-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure and Evolutionary Origin of Ca-Dependent Herring Type II Antifreeze Protein.
PLoS ONE, 2, 2007
7YBO
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BU of 7ybo by Molmil
Crystal structure of FGFR4 kinase domain with 10z
Descriptor: Fibroblast growth factor receptor 4, SULFATE ION, ~{N}-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-6-bromanyl-5-(hydroxymethyl)-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]pyridine-3-carboxamide
Authors:Chen, X.J, Lin, Q.M, Chen, Y.H.
Deposit date:2022-06-29
Release date:2022-11-16
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.307 Å)
Cite:Design, Synthesis, and Biological Evaluation of 5-Formyl-pyrrolo[3,2- b ]pyridine-3-carboxamides as New Selective, Potent, and Reversible-Covalent FGFR4 Inhibitors.
J.Med.Chem., 65, 2022
7YC3
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BU of 7yc3 by Molmil
Crystal structure of FGFR4 kinase domain with 10t
Descriptor: 6-bromanyl-~{N}-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-5-methanoyl-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]pyridine-3-carboxamide, Fibroblast growth factor receptor 4, GLYCEROL, ...
Authors:Chen, X.J, Lin, Q.M, Chen, Y.H.
Deposit date:2022-06-30
Release date:2022-11-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.987 Å)
Cite:Design, Synthesis, and Biological Evaluation of 5-Formyl-pyrrolo[3,2- b ]pyridine-3-carboxamides as New Selective, Potent, and Reversible-Covalent FGFR4 Inhibitors.
J.Med.Chem., 65, 2022
7YC1
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BU of 7yc1 by Molmil
Crystal structure of FGFR4 kinase domain with 10d
Descriptor: Fibroblast growth factor receptor 4, GLYCEROL, SULFATE ION, ...
Authors:Chen, X.J, Lin, Q.M, Chen, Y.H.
Deposit date:2022-06-30
Release date:2022-11-16
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.535 Å)
Cite:Design, Synthesis, and Biological Evaluation of 5-Formyl-pyrrolo[3,2- b ]pyridine-3-carboxamides as New Selective, Potent, and Reversible-Covalent FGFR4 Inhibitors.
J.Med.Chem., 65, 2022
7YBP
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BU of 7ybp by Molmil
Crystal structure of FGFR4(V550L) kinase domain with 10z
Descriptor: Fibroblast growth factor receptor 4, SULFATE ION, ~{N}-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-6-bromanyl-5-(hydroxymethyl)-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]pyridine-3-carboxamide
Authors:Chen, X.J, Lin, Q.M, Chen, Y.H.
Deposit date:2022-06-29
Release date:2022-11-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.243 Å)
Cite:Design, Synthesis, and Biological Evaluation of 5-Formyl-pyrrolo[3,2- b ]pyridine-3-carboxamides as New Selective, Potent, and Reversible-Covalent FGFR4 Inhibitors.
J.Med.Chem., 65, 2022
8JMZ
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BU of 8jmz by Molmil
FGFR1 kinase domain with sulfatinib
Descriptor: Fibroblast growth factor receptor 1, GLYCEROL, N-(2-(dimethylamino)ethyl)-1-(3-((4-((2-methyl-1H-indol-5-yl)oxy)pyrimidin-2-yl)amino)phenyl)methanesulfonamide, ...
Authors:Chen, X.J, Lin, Q.M, Chen, Y.H.
Deposit date:2023-06-05
Release date:2024-03-27
Method:X-RAY DIFFRACTION (1.988 Å)
Cite:Structural basis and selectivity of sulfatinib binding to FGFR and CSF-1R.
Commun Chem, 7, 2024
6DZP
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BU of 6dzp by Molmil
Cryo-EM Structure of Mycobacterium smegmatis C(minus) 50S ribosomal subunit
Descriptor: 23S rRNA, 50S ribosomal protein L10, 50S ribosomal protein L11, ...
Authors:Sharma, M.R, Li, Y, Korripella, R, Yang, Y, Kaushal, P.S, Lin, Q, Wade, J.T, Gray, A.G, Derbyshire, K.M, Agrawal, R.K, Ojha, A.
Deposit date:2018-07-05
Release date:2018-10-03
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.42 Å)
Cite:Zinc depletion induces ribosome hibernation in mycobacteria.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6DZK
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BU of 6dzk by Molmil
Cryo-EM Structure of Mycobacterium smegmatis C(minus) 30S ribosomal subunit with MPY
Descriptor: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Sharma, M.R, Li, Y, Korripella, R, Yang, Y, Kaushal, P.S, Lin, Q, Wade, J.T, Gray, A.G, Derbyshire, K.M, Agrawal, R.K, Ojha, A.
Deposit date:2018-07-05
Release date:2018-09-19
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Zinc depletion induces ribosome hibernation in mycobacteria.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6DZI
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BU of 6dzi by Molmil
Cryo-EM Structure of Mycobacterium smegmatis 70S C(minus) ribosome 70S-MPY complex
Descriptor: 16S rRNA, 23 S rRNA (3119-MER), 30S ribosomal protein S10, ...
Authors:Sharma, M.R, Li, Y, Korripella, R, Yang, Y, Kaushal, P.S, Lin, Q, Wade, J.T, Gray, A.G, Derbyshire, K.M, Agrawal, R.K, Ojha, A.
Deposit date:2018-07-05
Release date:2018-09-26
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.46 Å)
Cite:Zinc depletion induces ribosome hibernation in mycobacteria.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
8SXX
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BU of 8sxx by Molmil
E. coli dodecamer SIR2
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SIR2-like domain-containing protein
Authors:Shen, Z.F, Lin, Q.P, Fu, T.M.
Deposit date:2023-05-24
Release date:2023-12-27
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Assembly-mediated activation of the SIR2-HerA supramolecular complex for anti-phage defense.
Mol.Cell, 83, 2023
8SUB
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BU of 8sub by Molmil
E. coli SIR2-HerA complex (dodecamer SIR2 pentamer HerA)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Nucleoside triphosphate hydrolase, ...
Authors:Shen, Z.F, Lin, Q.P, Fu, T.M.
Deposit date:2023-05-11
Release date:2023-12-27
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Assembly-mediated activation of the SIR2-HerA supramolecular complex for anti-phage defense.
Mol.Cell, 83, 2023
8SU9
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BU of 8su9 by Molmil
E. coli SIR2-HerA complex (hexamer HerA bound with dodecamer Sir2)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Nucleoside triphosphate hydrolase, ...
Authors:Shen, Z.F, Lin, Q.P, Fu, T.M.
Deposit date:2023-05-11
Release date:2024-03-27
Method:ELECTRON MICROSCOPY (2.83 Å)
Cite:Assembly-mediated activation of the SIR2-HerA supramolecular complex for anti-phage defense.
Mol.Cell, 83, 2023
8SUW
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BU of 8suw by Molmil
E. coli SIR2-HerA complex (dodecamer SIR2 bound 4 protomers of HerA)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Nucleoside triphosphate hydrolase, ...
Authors:Shen, Z.F, Lin, Q.P, Fu, T.M.
Deposit date:2023-05-13
Release date:2024-03-27
Method:ELECTRON MICROSCOPY (3.15 Å)
Cite:Assembly-mediated activation of the SIR2-HerA supramolecular complex for anti-phage defense.
Mol.Cell, 83, 2023
8UAE
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BU of 8uae by Molmil
E. coli Sir2_HerA complex (12:6) with ATPgamaS
Descriptor: MAGNESIUM ION, Nucleoside triphosphate hydrolase, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
Authors:Shen, Z.F, Lin, Q.P, Fu, T.M.
Deposit date:2023-09-20
Release date:2023-12-27
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:Assembly-mediated activation of the SIR2-HerA supramolecular complex for anti-phage defense.
Mol.Cell, 83, 2023
8UAF
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BU of 8uaf by Molmil
E. coli Sir2_HerA complex (12:6) bound with NAD+
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Shen, Z.F, Lin, Q.P, Fu, T.M.
Deposit date:2023-09-20
Release date:2023-12-27
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:Assembly-mediated activation of the SIR2-HerA supramolecular complex for anti-phage defense.
Mol.Cell, 83, 2023

 

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