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8XLO
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BU of 8xlo by Molmil
FGFR1 kinase domain with a dual-warhead covalent inhibitor CXF-007
Descriptor: CXF007, Fibroblast growth factor receptor 1, SULFATE ION
Authors:Chen, X.J, Chen, Y.H.
Deposit date:2023-12-26
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Design, synthesis, and biological evaluation of selective covalent inhibitors of FGFR4.
Eur.J.Med.Chem., 268, 2024
8XLQ
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BU of 8xlq by Molmil
FGFR4 kinase domain with a dual-warhead covalent inhibitor CXF-007
Descriptor: CXF007, Fibroblast growth factor receptor 4, SULFATE ION
Authors:Chen, X.J, Chen, Y.H.
Deposit date:2023-12-26
Release date:2024-03-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Design, synthesis, and biological evaluation of selective covalent inhibitors of FGFR4.
Eur.J.Med.Chem., 268, 2024
6KS9
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BU of 6ks9 by Molmil
Crystal Structure of E447A Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria smegmatis
Descriptor: Acyl-CoA dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION
Authors:Liu, X, Chen, X.B.
Deposit date:2019-08-23
Release date:2020-07-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Structural basis for the broad substrate specificity of two acyl-CoA dehydrogenases FadE5 from mycobacteria.
Proc.Natl.Acad.Sci.USA, 117, 2020
6KSA
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BU of 6ksa by Molmil
Crystal Structure of E447A Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria smegmatis in complex with C18CoA
Descriptor: Acyl-CoA dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ...
Authors:Liu, X, Chen, X.B.
Deposit date:2019-08-23
Release date:2020-07-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.768 Å)
Cite:Structural basis for the broad substrate specificity of two acyl-CoA dehydrogenases FadE5 from mycobacteria.
Proc.Natl.Acad.Sci.USA, 117, 2020
6KSB
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BU of 6ksb by Molmil
Crystal Structure of E447A M130G Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria smegmatis in complex with C16CoA
Descriptor: Acyl-CoA dehydrogenase, COENZYME A, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Liu, X, Chen, X.B.
Deposit date:2019-08-23
Release date:2020-07-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.973 Å)
Cite:Structural basis for the broad substrate specificity of two acyl-CoA dehydrogenases FadE5 from mycobacteria.
Proc.Natl.Acad.Sci.USA, 117, 2020
6LQ3
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BU of 6lq3 by Molmil
Crystal Structure of E447A Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria smegmatis in complex with C12CoA
Descriptor: Acyl-CoA dehydrogenase, COENZYME A, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Liu, X, Chen, X.B.
Deposit date:2020-01-12
Release date:2020-07-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for the broad substrate specificity of two acyl-CoA dehydrogenases FadE5 from mycobacteria.
Proc.Natl.Acad.Sci.USA, 117, 2020
6LQ7
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BU of 6lq7 by Molmil
Crystal Structure of E447A Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria smegmatis in complex with C17CoA
Descriptor: Acyl-CoA dehydrogenase, COENZYME A, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Liu, X, Chen, X.B.
Deposit date:2020-01-13
Release date:2020-07-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for the broad substrate specificity of two acyl-CoA dehydrogenases FadE5 from mycobacteria.
Proc.Natl.Acad.Sci.USA, 117, 2020
6LPY
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BU of 6lpy by Molmil
Crystal Structure of E447A Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria smegmatis in complex with C4CoA
Descriptor: Acyl-CoA dehydrogenase, COENZYME A, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Liu, X, Chen, X.B.
Deposit date:2020-01-12
Release date:2020-07-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for the broad substrate specificity of two acyl-CoA dehydrogenases FadE5 from mycobacteria.
Proc.Natl.Acad.Sci.USA, 117, 2020
6LQ5
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BU of 6lq5 by Molmil
Crystal Structure of E447A Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria smegmatis in complex with C16CoA
Descriptor: Acyl-CoA dehydrogenase, COENZYME A, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Liu, X, Chen, X.B.
Deposit date:2020-01-13
Release date:2020-07-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for the broad substrate specificity of two acyl-CoA dehydrogenases FadE5 from mycobacteria.
Proc.Natl.Acad.Sci.USA, 117, 2020
5K00
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BU of 5k00 by Molmil
MELK in complex with NVS-MELK5
Descriptor: 4-{2-[(3-methoxyphenyl)amino]-4-[(piperidin-4-yl)methoxy]pyrimidin-5-yl}-N-[2-oxo-2-(phenylamino)ethyl]benzamide, Maternal embryonic leucine zipper kinase
Authors:Sprague, E.R.
Deposit date:2016-05-17
Release date:2017-03-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:"Addition" and "Subtraction": Selectivity Design for Type II Maternal Embryonic Leucine Zipper Kinase Inhibitors.
J. Med. Chem., 60, 2017
8WNJ
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BU of 8wnj by Molmil
Crystal structure of H. pylori isoleucyl-tRNA synthetase (HpIleRS) in complex with Ile-AMP
Descriptor: ACETATE ION, GLYCEROL, Isoleucine--tRNA ligase, ...
Authors:Guo, Y, Li, S, Zhang, T.
Deposit date:2023-10-06
Release date:2024-02-14
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural basis for substrate and antibiotic recognition by Helicobacter pylori isoleucyl-tRNA synthetase.
Febs Lett., 598, 2024
8WO3
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BU of 8wo3 by Molmil
Crystal structure of H. pylori isoleucyl-tRNA synthetase (HpIleRS) in complex with Mupirocin
Descriptor: ACETATE ION, GLYCEROL, Isoleucine--tRNA ligase, ...
Authors:Guo, Y, Li, S, Zhang, T.
Deposit date:2023-10-06
Release date:2024-02-14
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for substrate and antibiotic recognition by Helicobacter pylori isoleucyl-tRNA synthetase.
Febs Lett., 598, 2024
8WO2
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BU of 8wo2 by Molmil
Crystal structure of H. pylori isoleucyl-tRNA synthetase (HpIleRS) in complex with Val-AMP
Descriptor: ACETATE ION, GLYCEROL, Isoleucine--tRNA ligase, ...
Authors:Guo, Y, Li, S, Zhang, T.
Deposit date:2023-10-06
Release date:2024-02-14
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Structural basis for substrate and antibiotic recognition by Helicobacter pylori isoleucyl-tRNA synthetase.
Febs Lett., 598, 2024
8WNG
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BU of 8wng by Molmil
Crystal structure of H. pylori isoleucyl-tRNA synthetase (HpIleRS) in complex with Ile
Descriptor: ACETATE ION, GLYCEROL, ISOLEUCINE, ...
Authors:Guo, Y, Li, S, Zhang, T.
Deposit date:2023-10-05
Release date:2024-02-14
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structural basis for substrate and antibiotic recognition by Helicobacter pylori isoleucyl-tRNA synthetase.
Febs Lett., 598, 2024
8WNF
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BU of 8wnf by Molmil
Crystal structure of H. pylori isoleucyl-tRNA synthetase (HpIleRS) in apo form
Descriptor: ACETATE ION, GLYCEROL, Isoleucine--tRNA ligase, ...
Authors:Guo, Y, Li, S, Zhang, T.
Deposit date:2023-10-05
Release date:2024-02-14
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for substrate and antibiotic recognition by Helicobacter pylori isoleucyl-tRNA synthetase.
Febs Lett., 598, 2024
8WNI
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BU of 8wni by Molmil
Crystal structure of H. pylori isoleucyl-tRNA synthetase (HpIleRS) in complex with Val
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, GLYCEROL, ...
Authors:Guo, Y, Li, S, Zhang, T.
Deposit date:2023-10-06
Release date:2024-02-14
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural basis for substrate and antibiotic recognition by Helicobacter pylori isoleucyl-tRNA synthetase.
Febs Lett., 598, 2024
7SI1
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BU of 7si1 by Molmil
Crystal structure of apo EGFR kinase domain
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, SULFATE ION
Authors:Kung, J.E, Wu, P, Kiefer, J.R, Sudhamsu, J.
Deposit date:2021-10-12
Release date:2022-10-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Clearing the Path to Rapid High-Quality Protein Purification
To Be Published
7SHV
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BU of 7shv by Molmil
Crystal structure of BRAF kinase domain bound to GDC0879
Descriptor: 2-{4-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-3-(pyridin-4-yl)-1H-pyrazol-1-yl}ethanol, CHLORIDE ION, Serine/threonine-protein kinase B-raf
Authors:Kung, J.E, Sudhamsu, J.
Deposit date:2021-10-11
Release date:2022-10-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Clearing the Path to Rapid High-Quality Protein Purification
To Be Published
7V29
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BU of 7v29 by Molmil
Crystal structure of FGFR4 with a dual-warhead covalent inhhibitor
Descriptor: Fibroblast growth factor receptor 4, N-[2-[[3-(3,5-dimethoxyphenyl)-2-oxidanylidene-1-[3-(4-propanoylpiperazin-1-yl)propyl]-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]phenyl]propanamide, SULFATE ION
Authors:Chen, X.J, Jiang, L.Y, Dai, S.Y, Qu, L.Z, Chen, Y.H.
Deposit date:2021-08-07
Release date:2022-03-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.983 Å)
Cite:Structure-based design of a dual-warhead covalent inhibitor of FGFR4.
Commun Chem, 5, 2022
6XBU
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BU of 6xbu by Molmil
polymerase domain of polymerase-theta
Descriptor: 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(P*GP*TP*CP*AP*TP*TP*G)-3'), DNA polymerase theta, ...
Authors:Chen, X, Pomerantz, R, Zhao, J.
Deposit date:2020-06-07
Release date:2021-06-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.29 Å)
Cite:Pol theta reverse transcribes RNA and promotes RNA-templated DNA repair.
Sci Adv, 7, 2021
6LQ6
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BU of 6lq6 by Molmil
Crystal Structure of E447A Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria smegmatis in complex with C20CoA
Descriptor: Acyl-CoA dehydrogenase, COENZYME A, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Liu, X, Chen, X.B.
Deposit date:2020-01-13
Release date:2020-07-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for the broad substrate specificity of two acyl-CoA dehydrogenases FadE5 from mycobacteria.
Proc.Natl.Acad.Sci.USA, 117, 2020
6LQ1
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BU of 6lq1 by Molmil
Crystal Structure of E447A Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria smegmatis in complex with C8CoA
Descriptor: Acyl-CoA dehydrogenase, COENZYME A, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Liu, X, Chen, X.B.
Deposit date:2020-01-12
Release date:2020-07-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for the broad substrate specificity of two acyl-CoA dehydrogenases FadE5 from mycobacteria.
Proc.Natl.Acad.Sci.USA, 117, 2020
6LQ4
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BU of 6lq4 by Molmil
Crystal Structure of E447A Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria smegmatis in complex with C14CoA
Descriptor: Acyl-CoA dehydrogenase, COENZYME A, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Liu, X, Chen, X.B.
Deposit date:2020-01-13
Release date:2020-07-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for the broad substrate specificity of two acyl-CoA dehydrogenases FadE5 from mycobacteria.
Proc.Natl.Acad.Sci.USA, 117, 2020
6LQ0
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BU of 6lq0 by Molmil
Crystal Structure of E447A Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria smegmatis in complex with C6CoA
Descriptor: Acyl-CoA dehydrogenase, COENZYME A, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Liu, X, Chen, X.B.
Deposit date:2020-01-12
Release date:2020-07-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for the broad substrate specificity of two acyl-CoA dehydrogenases FadE5 from mycobacteria.
Proc.Natl.Acad.Sci.USA, 117, 2020
6LQ2
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BU of 6lq2 by Molmil
Crystal Structure of E447A Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria smegmatis in complex with C10CoA
Descriptor: Acyl-CoA dehydrogenase, COENZYME A, DECANOIC ACID, ...
Authors:Liu, X, Chen, X.B.
Deposit date:2020-01-12
Release date:2020-07-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for the broad substrate specificity of two acyl-CoA dehydrogenases FadE5 from mycobacteria.
Proc.Natl.Acad.Sci.USA, 117, 2020

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PDB entries from 2024-06-12

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