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7NBW
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BU of 7nbw by Molmil
Crystal structure of PqsR (MvfR) ligand-binding domain in complex with a pyridin agonist
Descriptor: Transcriptional regulator MvfR, ~{N}-[3-(4-fluorophenyl)prop-2-ynyl]-2-(trifluoromethyl)pyridin-4-amine
Authors:Schmelz, S, Blankenfeldt, W.
Deposit date:2021-01-28
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Divergent synthesis and biological evaluation of 2-(trifluoromethyl)pyridines as virulence-attenuating inverse agonists targeting PqsR.
Eur.J.Med.Chem., 226, 2021
6HFW
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BU of 6hfw by Molmil
Mycobacterium tuberculosis DprE1 in complex with CMP1
Descriptor: 8-(oxidanylamino)-2-piperidin-1-yl-6-(trifluoromethyl)-1,3-benzothiazin-4-one, Decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Chung, C.
Deposit date:2018-08-21
Release date:2018-09-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Novel insight into the reaction of nitro, nitroso and hydroxylamino benzothiazinones and of benzoxacinones with Mycobacterium tuberculosis DprE1.
Sci Rep, 8, 2018
6HFV
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BU of 6hfv by Molmil
Mycobacterium tuberculosis DprE1 in complex with CMP2
Descriptor: 8-(oxidanylamino)-2-piperidin-1-yl-6-(trifluoromethyl)-1,3-benzothiazin-4-one, Decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Chung, C.
Deposit date:2018-08-21
Release date:2018-09-19
Last modified:2019-08-21
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Novel insight into the reaction of nitro, nitroso and hydroxylamino benzothiazinones and of benzoxacinones with Mycobacterium tuberculosis DprE1.
Sci Rep, 8, 2018
4A9M
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BU of 4a9m by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH N-cyclopentyl-5-(3,5- dimethyl-1,2-oxazol-4-yl)-2-methylbenzene-1-sulfonamide
Descriptor: BROMODOMAIN CONTAINING 2, N-cyclopentyl-5-(3,5-dimethylisoxazol-4-yl)-2-methylbenzenesulfonamide, SULFATE ION
Authors:Chung, C, Bamborough, P.
Deposit date:2011-11-26
Release date:2012-02-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Fragment-Based Discovery of Bromodomain Inhibitors Part 2: Optimization of Phenylisoxazole Sulfonamides.
J.Med.Chem., 55, 2012
4A9N
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BU of 4a9n by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH N-cyclopropyl-5-(3,5- dimethyl-1,2-oxazol-4-yl)-2-methylbenzene-1-sulfonamide
Descriptor: 1,2-ETHANEDIOL, BROMODOMAIN CONTAINING 2, DIMETHYL SULFOXIDE, ...
Authors:Chung, C, Bamborough, P.
Deposit date:2011-11-26
Release date:2012-02-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Fragment-Based Discovery of Bromodomain Inhibitors Part 2: Optimization of Phenylisoxazole Sulfonamides.
J.Med.Chem., 55, 2012
4A9E
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BU of 4a9e by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 3-methyl-1,2,3,4- tetrahydroquinazolin-2-one
Descriptor: 1,2-ETHANEDIOL, 3-methyl-3,4-dihydroquinazolin-2(1H)-one, BROMODOMAIN-CONTAINING PROTEIN 2, ...
Authors:Chung, C, Bamborough, P.
Deposit date:2011-11-26
Release date:2012-01-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Fragment-Based Discovery of Bromodomain Inhibitors Part 1: Inhibitor Binding Modes and Implications for Lead Discovery.
J.Med.Chem., 55, 2012
5OO5
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BU of 5oo5 by Molmil
Streptomyces PAC13 with uridine uronic acid
Descriptor: Putative cupin_2 domain-containing isomerase, uridine uronic acid
Authors:Chung, C, Michailidou, F.
Deposit date:2017-08-05
Release date:2017-08-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Pac13 is a Small, Monomeric Dehydratase that Mediates the Formation of the 3'-Deoxy Nucleoside of Pacidamycins.
Angew. Chem. Int. Ed. Engl., 56, 2017
5OOA
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BU of 5ooa by Molmil
Streptomyces PAC13 (Y89F) with uridine
Descriptor: Putative cupin_2 domain-containing isomerase, URIDINE
Authors:Chung, C, Michailidou, F.
Deposit date:2017-08-06
Release date:2017-08-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Pac13 is a Small, Monomeric Dehydratase that Mediates the Formation of the 3'-Deoxy Nucleoside of Pacidamycins.
Angew. Chem. Int. Ed. Engl., 56, 2017
5OO4
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BU of 5oo4 by Molmil
Streptomyces PAC13 with uridine
Descriptor: Putative cupin_2 domain-containing isomerase, URIDINE
Authors:Chung, C, Michailidou, F.
Deposit date:2017-08-05
Release date:2017-08-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Pac13 is a Small, Monomeric Dehydratase that Mediates the Formation of the 3'-Deoxy Nucleoside of Pacidamycins.
Angew. Chem. Int. Ed. Engl., 56, 2017
5OO8
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BU of 5oo8 by Molmil
Streptomyces PAC13 (H42Q) with uridine
Descriptor: 1,2-ETHANEDIOL, Putative cupin_2 domain-containing isomerase, URIDINE
Authors:Chung, C, Michailidou, F.
Deposit date:2017-08-06
Release date:2017-08-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Pac13 is a Small, Monomeric Dehydratase that Mediates the Formation of the 3'-Deoxy Nucleoside of Pacidamycins.
Angew. Chem. Int. Ed. Engl., 56, 2017
5OO9
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BU of 5oo9 by Molmil
Streptomyces PAC13 (Y55F) with uridine
Descriptor: Putative cupin_2 domain-containing isomerase, URIDINE
Authors:Chung, C, Michailidou, F.
Deposit date:2017-08-06
Release date:2017-08-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Pac13 is a Small, Monomeric Dehydratase that Mediates the Formation of the 3'-Deoxy Nucleoside of Pacidamycins.
Angew. Chem. Int. Ed. Engl., 56, 2017
1HRJ
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BU of 1hrj by Molmil
HUMAN RANTES, NMR, 13 STRUCTURES
Descriptor: HUMAN REGULATED UPON ACTIVATION NORMAL T-CELL EXPRESSED AND SECRETED
Authors:Chung, C, Cooke, R.M, Proudfoot, A.E.I, Wells, T.N.C.
Deposit date:1995-08-18
Release date:1996-10-14
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:The three-dimensional solution structure of RANTES.
Biochemistry, 34, 1995
3BC5
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BU of 3bc5 by Molmil
X-ray crystal structure of human ppar gamma with 2-(5-(3-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzyl)-2-phenyl-2h-1,2,3-triazol-4-yl)acetic acid
Descriptor: (5-{3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzyl}-2-phenyl-2H-1,2,3-triazol-4-yl)acetic acid, Peroxisome proliferator-activated receptor gamma
Authors:Muckelbauer, J.K.
Deposit date:2007-11-12
Release date:2008-11-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Design, synthesis and structure-activity relationships of azole acids as novel, potent dual PPAR alpha/gamma agonists.
Bioorg.Med.Chem.Lett., 19, 2009
8W9C
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BU of 8w9c by Molmil
Cryo-EM structure of the Rpd3S complex from budding yeast
Descriptor: Chromatin modification-related protein EAF3, Histone deacetylase RPD3, POTASSIUM ION, ...
Authors:Wang, C, Zhan, X.
Deposit date:2023-09-05
Release date:2024-05-15
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structures and dynamics of Rpd3S complex bound to nucleosome.
Sci Adv, 10, 2024
8W9D
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BU of 8w9d by Molmil
Cryo-EM structure of the Rpd3S-nucleosome complex from budding yeast in State 1
Descriptor: 3-DNA, 5-DNA, Chromatin modification-related protein EAF3, ...
Authors:Wang, C, Zhan, X.
Deposit date:2023-09-05
Release date:2024-05-15
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structures and dynamics of Rpd3S complex bound to nucleosome.
Sci Adv, 10, 2024
8W9F
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BU of 8w9f by Molmil
Cryo-EM structure of the Rpd3S-nucleosome complex from budding yeast in State 3
Descriptor: 3-DNA, 5-DNA, Chromatin modification-related protein EAF3, ...
Authors:Wang, C, Zhan, X.
Deposit date:2023-09-05
Release date:2024-05-15
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Structures and dynamics of Rpd3S complex bound to nucleosome.
Sci Adv, 10, 2024
8W9E
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BU of 8w9e by Molmil
Cryo-EM structure of the Rpd3S-nucleosome complex from budding yeast in State 2
Descriptor: 3-DNA, 5-DNA, Chromatin modification-related protein EAF3, ...
Authors:Wang, C, Zhan, X.
Deposit date:2023-09-05
Release date:2024-05-15
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structures and dynamics of Rpd3S complex bound to nucleosome.
Sci Adv, 10, 2024
8HPO
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BU of 8hpo by Molmil
Cryo-EM structure of a SIN3/HDAC complex from budding yeast
Descriptor: Histone deacetylase RPD3, PHOSPHOTHREONINE, POTASSIUM ION, ...
Authors:Guo, Z, Zhan, X, Wang, C.
Deposit date:2022-12-12
Release date:2023-05-03
Last modified:2023-07-05
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structure of a SIN3-HDAC complex from budding yeast.
Nat.Struct.Mol.Biol., 30, 2023
8I02
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BU of 8i02 by Molmil
Cryo-EM structure of the SIN3S complex from S. pombe
Descriptor: Chromatin modification-related protein eaf3, Cph1, Histone deacetylase clr6, ...
Authors:Wang, C, Guo, Z, Zhan, X.
Deposit date:2023-01-10
Release date:2023-05-03
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Two assembly modes for SIN3 histone deacetylase complexes.
Cell Discov, 9, 2023
8I03
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BU of 8i03 by Molmil
Cryo-EM structure of the SIN3L complex from S. pombe
Descriptor: Chromatin modification-related protein png2, Histone deacetylase clr6, POTASSIUM ION, ...
Authors:Wang, C, Guo, Z, Zhan, X.
Deposit date:2023-01-10
Release date:2023-05-03
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Two assembly modes for SIN3 histone deacetylase complexes.
Cell Discov, 9, 2023
4E2K
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BU of 4e2k by Molmil
The structure of the S. aureus DnaG RNA Polymerase Domain
Descriptor: BENZAMIDINE, DNA primase
Authors:Rymer, R.U, Solorio, F.A, Clement, C, Corn, J.E, Wang, J.D, Berger, J.M.
Deposit date:2012-03-08
Release date:2012-08-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Binding Mechanism of Metal-NTP Substrates and Stringent-Response Alarmones to Bacterial DnaG-Type Primases.
Structure, 20, 2012
7E77
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BU of 7e77 by Molmil
The structure of cytosolic TaPGI
Descriptor: Glucose-6-phosphate isomerase
Authors:Gao, F, Liu, C.M.
Deposit date:2021-02-25
Release date:2021-07-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Engineering of the cytosolic form of phosphoglucose isomerase into chloroplasts improves plant photosynthesis and biomass.
New Phytol., 231, 2021
7E78
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BU of 7e78 by Molmil
the structure of cytosolic TaPGI with substrate
Descriptor: 6-O-phosphono-alpha-D-glucopyranose, Glucose-6-phosphate isomerase
Authors:Gao, F, Liu, C.M.
Deposit date:2021-02-25
Release date:2021-07-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Engineering of the cytosolic form of phosphoglucose isomerase into chloroplasts improves plant photosynthesis and biomass.
New Phytol., 231, 2021
7E76
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BU of 7e76 by Molmil
The structure of chloroplastic TaPGI
Descriptor: Glucose-6-phosphate isomerase
Authors:Gao, F, Liu, C.M.
Deposit date:2021-02-25
Release date:2021-07-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Engineering of the cytosolic form of phosphoglucose isomerase into chloroplasts improves plant photosynthesis and biomass.
New Phytol., 231, 2021
7X9B
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BU of 7x9b by Molmil
Cryo-EM structure of neuropeptide Y Y2 receptor in complex with NPY and Gi
Descriptor: 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, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Tang, T, Han, S, Zhao, Q, Wu, B.
Deposit date:2022-03-15
Release date:2022-05-18
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Receptor-specific recognition of NPY peptides revealed by structures of NPY receptors.
Sci Adv, 8, 2022

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数据于2024-07-24公开中

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