4LRY
 
 | | Crystal Structure of the E.coli DhaR(N)-DhaK(T79L) complex | | Descriptor: | GLYCEROL, PTS-dependent dihydroxyacetone kinase operon regulatory protein, PTS-dependent dihydroxyacetone kinase, ... | | Authors: | Shi, R, McDonald, L, Cygler, M, Ekiel, I. | | Deposit date: | 2013-07-21 | | Release date: | 2014-01-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | Coiled-Coil Helix Rotation Selects Repressing or Activating State of Transcriptional Regulator DhaR.
Structure, 22, 2014
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4LRX
 | | Crystal Structure of the E.coli DhaR(N)-DhaK complex | | Descriptor: | GLYCEROL, PTS-dependent dihydroxyacetone kinase operon regulatory protein, PTS-dependent dihydroxyacetone kinase, ... | | Authors: | Shi, R, McDonald, L, Cygler, M, Ekiel, I. | | Deposit date: | 2013-07-21 | | Release date: | 2014-01-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Coiled-Coil Helix Rotation Selects Repressing or Activating State of Transcriptional Regulator DhaR.
Structure, 22, 2014
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4LRZ
 | | Crystal Structure of the E.coli DhaR(N)-DhaL complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PTS-dependent dihydroxyacetone kinase operon regulatory protein, ... | | Authors: | Shi, R, McDonald, L, Cygler, M, Ekiel, I. | | Deposit date: | 2013-07-21 | | Release date: | 2014-01-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Coiled-Coil Helix Rotation Selects Repressing or Activating State of Transcriptional Regulator DhaR.
Structure, 22, 2014
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3PNL
 | | Crystal Structure of E.coli Dha kinase DhaK-DhaL complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Shi, R, McDonald, L, Matte, A, Cygler, M, Ekiel, I, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) | | Deposit date: | 2010-11-19 | | Release date: | 2011-01-12 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural and mechanistic insight into covalent substrate binding by Escherichia coli dihydroxyacetone kinase.
Proc.Natl.Acad.Sci.USA, 108, 2011
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3PNM
 | | Crystal Structure of E.coli Dha kinase DhaK (H56A) | | Descriptor: | PTS-dependent dihydroxyacetone kinase, dihydroxyacetone-binding subunit dhaK | | Authors: | Shi, R, McDonald, L, Matte, A, Cygler, M, Ekiel, I, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) | | Deposit date: | 2010-11-19 | | Release date: | 2011-01-12 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structural and mechanistic insight into covalent substrate binding by Escherichia coli dihydroxyacetone kinase.
Proc.Natl.Acad.Sci.USA, 108, 2011
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3PNK
 | | Crystal Structure of E.coli Dha kinase DhaK | | Descriptor: | GLYCEROL, PTS-dependent dihydroxyacetone kinase, dihydroxyacetone-binding subunit dhaK | | Authors: | Shi, R, McDonald, L, Matte, A, Cygler, M, Ekiel, I, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) | | Deposit date: | 2010-11-19 | | Release date: | 2011-01-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Structural and mechanistic insight into covalent substrate binding by Escherichia coli dihydroxyacetone kinase.
Proc.Natl.Acad.Sci.USA, 108, 2011
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3PNQ
 | | Crystal Structure of E.coli Dha kinase DhaK (H56N) complex with Dha | | Descriptor: | Dihydroxyacetone, PTS-dependent dihydroxyacetone kinase, dihydroxyacetone-binding subunit dhaK | | Authors: | Shi, R, McDonald, L, Matte, A, Cygler, M, Ekiel, I, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) | | Deposit date: | 2010-11-19 | | Release date: | 2011-01-12 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural and mechanistic insight into covalent substrate binding by Escherichia coli dihydroxyacetone kinase.
Proc.Natl.Acad.Sci.USA, 108, 2011
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3PNO
 | | Crystal Structure of E.coli Dha kinase DhaK (H56N) | | Descriptor: | PTS-dependent dihydroxyacetone kinase, dihydroxyacetone-binding subunit dhaK | | Authors: | Shi, R, McDonald, L, Matte, A, Cygler, M, Ekiel, I, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) | | Deposit date: | 2010-11-19 | | Release date: | 2011-01-12 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structural and mechanistic insight into covalent substrate binding by Escherichia coli dihydroxyacetone kinase.
Proc.Natl.Acad.Sci.USA, 108, 2011
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5OTE
 | | MRCK beta in complex with BDP-00008900 | | Descriptor: | 1,2-ETHANEDIOL, 2-[4-[(6~{S})-1,8-diazaspiro[5.5]undecan-8-yl]-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole, CHLORIDE ION, ... | | Authors: | Schuettelkopf, A.W. | | Deposit date: | 2017-08-21 | | Release date: | 2018-02-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Discovery of Potent and Selective MRCK Inhibitors with Therapeutic Effect on Skin Cancer.
Cancer Res., 78, 2018
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5OTF
 | | MRCK beta in complex with BDP-00009066 | | Descriptor: | (6~{S})-8-(3-pyrimidin-4-yl-1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-1,8-diazaspiro[5.5]undecane, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Schuettelkopf, A.W. | | Deposit date: | 2017-08-21 | | Release date: | 2018-02-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of Potent and Selective MRCK Inhibitors with Therapeutic Effect on Skin Cancer.
Cancer Res., 78, 2018
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6I11
 | | CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 3 | | Descriptor: | ACETATE ION, Fascin, ~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-2-(phenylmethyl)isoquinoline-4-carboxamide | | Authors: | Schuettelkopf, A.W. | | Deposit date: | 2018-10-27 | | Release date: | 2019-02-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents.
Bioorg.Med.Chem.Lett., 29, 2019
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6I12
 | | CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 5 | | Descriptor: | 2-[(4-chlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide, ACETATE ION, Fascin | | Authors: | Schuettelkopf, A.W. | | Deposit date: | 2018-10-27 | | Release date: | 2019-02-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents.
Bioorg.Med.Chem.Lett., 29, 2019
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6I10
 | | CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 2 | | Descriptor: | 1,2-ETHANEDIOL, 1-[(3~{R})-1,1-bis(oxidanylidene)thiolan-3-yl]-5-[(3,4-dichlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one, ACETATE ION, ... | | Authors: | Schuettelkopf, A.W. | | Deposit date: | 2018-10-27 | | Release date: | 2019-02-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents.
Bioorg.Med.Chem.Lett., 29, 2019
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6I0Z
 | | CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 1 | | Descriptor: | Fascin, ~{N}-(2,4-dichlorophenyl)-~{N}-methyl-ethanamide | | Authors: | Schuettelkopf, A.W. | | Deposit date: | 2018-10-27 | | Release date: | 2019-02-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents.
Bioorg.Med.Chem.Lett., 29, 2019
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6I13
 | | CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 7 | | Descriptor: | 1,2-ETHANEDIOL, 2-[(3-chlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide, ACETATE ION, ... | | Authors: | Schuettelkopf, A.W. | | Deposit date: | 2018-10-27 | | Release date: | 2019-02-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents.
Bioorg.Med.Chem.Lett., 29, 2019
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6I15
 | | CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 11 | | Descriptor: | 1,2-ETHANEDIOL, 1-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]methyl]-~{N}-methyl-2-oxidanylidene-pyridine-3-carboxamide, ACETATE ION, ... | | Authors: | Schuettelkopf, A.W. | | Deposit date: | 2018-10-27 | | Release date: | 2019-02-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents.
Bioorg.Med.Chem.Lett., 29, 2019
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6I14
 | | CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 9 | | Descriptor: | 2-[(3,4-dichlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide, ACETATE ION, Fascin | | Authors: | Schuettelkopf, A.W. | | Deposit date: | 2018-10-27 | | Release date: | 2019-02-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents.
Bioorg.Med.Chem.Lett., 29, 2019
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6I17
 | | CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 24 | | Descriptor: | 1,2-ETHANEDIOL, 2-[(3,4-dichlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-6-piperidin-4-yl-2,7-naphthyridine-4-carboxamide, ACETATE ION, ... | | Authors: | Schuettelkopf, A.W. | | Deposit date: | 2018-10-27 | | Release date: | 2019-02-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents.
Bioorg.Med.Chem.Lett., 29, 2019
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6I18
 | | CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH BDP-13176 | | Descriptor: | 1,2-ETHANEDIOL, 5-[(3,4-dichlorophenyl)methyl]-4-oxidanylidene-1-piperidin-4-yl-~{N}-pyridin-4-yl-pyrazolo[4,3-c]pyridine-7-carboxamide, ACETATE ION, ... | | Authors: | Schuettelkopf, A.W. | | Deposit date: | 2018-10-27 | | Release date: | 2019-02-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents.
Bioorg.Med.Chem.Lett., 29, 2019
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6I16
 | | CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 15 | | Descriptor: | 6-[(3,4-dichlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-5-oxidanylidene-1,6-naphthyridine-8-carboxamide, ACETATE ION, Fascin | | Authors: | Schuettelkopf, A.W. | | Deposit date: | 2018-10-27 | | Release date: | 2019-02-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents.
Bioorg.Med.Chem.Lett., 29, 2019
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5CPC
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5CQ9
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