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2GT1
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BU of 2gt1 by Molmil
E. coli heptosyltransferase WaaC.
Descriptor: Lipopolysaccharide heptosyltransferase-1
Authors:Grizot, S, Salem, M, Vongsouthi, V, Durand, L, Moreau, F, Dohi, H, Vincent, S, Escaich, S, Ducruix, A.
Deposit date:2006-04-27
Release date:2007-05-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the Escherichia coli Heptosyltransferase WaaC: Binary Complexes with ADP AND ADP-2-deoxy-2-fluoro Heptose.
J.Mol.Biol., 363, 2006
2H1F
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BU of 2h1f by Molmil
E. coli heptosyltransferase WaaC with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Lipopolysaccharide heptosyltransferase-1
Authors:Grizot, S, Salem, M, Vongsouthi, V, Durand, L, Moreau, F, Dohi, H, Vincent, S, Escaich, S, Ducruix, A.
Deposit date:2006-05-16
Release date:2007-05-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the Escherichia coli heptosyltransferase WaaC: binary complexes with ADP and ADP-2-deoxy-2-fluoro heptose.
J.Mol.Biol., 363, 2006
2H1H
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BU of 2h1h by Molmil
E. coli heptosyltransferase WaaC with ADP-2-deoxy-2-fluoro heptose
Descriptor: ADENOSINE-5'-DIPHOSPHATE-2-DEOXY-2-FLUORO HEPTOSE, Lipopolysaccharide heptosyltransferase 1
Authors:Grizot, S, Salem, M, Vongsouthi, V, Durand, L, Moreau, F, Dohi, H, Vincent, S, Escaich, S, Ducruix, A.
Deposit date:2006-05-16
Release date:2007-05-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the Escherichia coli heptosyltransferase WaaC: binary complexes with ADP and ADP-2-deoxy-2-fluoro heptose.
J.Mol.Biol., 363, 2006
1W78
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BU of 1w78 by Molmil
E.coli FolC in complex with DHPP and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, FOLC BIFUNCTIONAL PROTEIN, MAGNESIUM ION, ...
Authors:Mathieu, M, Debousker, G, Vincent, S, Viviani, F, Bamas-Jacques, N, Mikol, V.
Deposit date:2004-08-31
Release date:2005-02-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Escherichia Coli Folc Structure Reveals an Unexpected Dihydrofolate Binding Site Providing an Attractive Target for Anti-Microbial Therapy
J.Biol.Chem., 280, 2005
1W7K
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E.coli FolC in complex with ADP, without folate substrate
Descriptor: ADENOSINE-5'-DIPHOSPHATE, FOLC BIFUNCTIONAL PROTEIN, MAGNESIUM ION, ...
Authors:Mathieu, M, Debousker, G, Vincent, S, Viviani, F, Bamas-Jacques, N, Mikol, V.
Deposit date:2004-09-06
Release date:2005-02-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Escherichia Coli Folc Structure Reveals an Unexpected Dihydrofolate Binding Site Providing an Attractive Target for Anti-Microbial Therapy
J.Biol.Chem., 280, 2005
6WPE
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BU of 6wpe by Molmil
HUMAN IDO1 IN COMPLEX WITH COMPOUND 4
Descriptor: 4-chloro-N-{[1-(3-chlorobenzene-1-carbonyl)-1,2,3,4-tetrahydroquinolin-6-yl]methyl}benzamide, Indoleamine 2,3-dioxygenase 1
Authors:Lesburg, C.A, Lammens, A.
Deposit date:2020-04-27
Release date:2021-03-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Carbamate and N -Pyrimidine Mitigate Amide Hydrolysis: Structure-Based Drug Design of Tetrahydroquinoline IDO1 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
7LGS
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BU of 7lgs by Molmil
Structure of EGFR_D770_N771insNPG/V948R in complex with covalent inhibitor Osimertinib.
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, Epidermal growth factor receptor, ...
Authors:Skene, R.J, Lane, W.
Deposit date:2021-01-21
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Mobocertinib (TAK-788): A Targeted Inhibitor of EGFR Exon 20 Insertion Mutants in Non-Small Cell Lung Cancer.
Cancer Discov, 11, 2021
6X5Y
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BU of 6x5y by Molmil
IDO1 in complex with compound 4
Descriptor: 4-fluoro-N-{1-[5-(2-methylpyrimidin-4-yl)-5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl]cyclopropyl}benzamide, Indoleamine 2,3-dioxygenase 1
Authors:Lesburg, C.A, Lammens, A.
Deposit date:2020-05-27
Release date:2021-06-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Utilization of MetID and Structural Data to Guide Placement of Spiro and Fused Cyclopropyl Groups for the Synthesis of Low Dose IDO1 Inhibitors
To Be Published
7RRD
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BU of 7rrd by Molmil
IDO1 IN COMPLEX WITH COMPOUND S-1
Descriptor: 3-[4-(1H-benzimidazol-2-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide, Indoleamine 2,3-dioxygenase 1
Authors:Lesburg, C.A.
Deposit date:2021-08-09
Release date:2022-08-24
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Oxetane promise delivered: discovery of long acting IDO1 inhibitors suitable for Q3W oral or parenteral dosing
To Be Published
7RRC
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BU of 7rrc by Molmil
IDO1 IN COMPLEX WITH COMPOUND 14
Descriptor: Indoleamine 2,3-dioxygenase 1, N-(4-fluorophenyl)-3-{4-[4-(hydroxymethyl)-6-(trifluoromethyl)pyridin-3-yl]phenyl}oxetane-3-carboxamide
Authors:Lesburg, C.A.
Deposit date:2021-08-09
Release date:2022-03-16
Last modified:2022-05-11
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Oxetane Promise Delivered: Discovery of Long-Acting IDO1 Inhibitors Suitable for Q3W Oral or Parenteral Dosing.
J.Med.Chem., 65, 2022
7RRB
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BU of 7rrb by Molmil
IDO1 IN COMPLEX WITH COMPOUND 9
Descriptor: 3-[4-(6-cyclopropylpyridin-3-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide, Indoleamine 2,3-dioxygenase 1
Authors:Lesburg, C.A.
Deposit date:2021-08-09
Release date:2022-03-16
Last modified:2022-05-11
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Oxetane Promise Delivered: Discovery of Long-Acting IDO1 Inhibitors Suitable for Q3W Oral or Parenteral Dosing.
J.Med.Chem., 65, 2022

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数据于2024-07-24公开中

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