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7NRG
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BU of 7nrg by Molmil
Crystal structure of a shortened IpgC variant in complex with (1R)-2-amino-1-(4-fluorophenyl)ethanol
Descriptor: (1R)-2-amino-1-(4-fluorophenyl)ethanol, CHLORIDE ION, Chaperone protein IpgC, ...
Authors:Gardonyi, M, Heine, A, Klebe, G.
Deposit date:2021-03-03
Release date:2022-03-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Crystal structure of a shortened IpgC variant in complex with (1R)-2-amino-1-(4-fluorophenyl)ethanol
To Be Published
7O04
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BU of 7o04 by Molmil
Crystal structure of a shortened IpgC variant in complex with [(2-chloro-5-nitrophenyl)methyl](methyl)amine
Descriptor: 1-(2-chloro-5-nitrophenyl)-N-methylmethanamine, CHLORIDE ION, Chaperone protein IpgC, ...
Authors:Gardonyi, M, Heine, A, Klebe, G.
Deposit date:2021-03-25
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal structure of a shortened IpgC variant in complex with [(2-chloro-5-nitrophenyl)methyl](methyl)amine
To be published
7O6S
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BU of 7o6s by Molmil
Crystal structure of a shortened IpgC variant in complex with N-(2H-1,3-benzodioxol-5-ylmethyl)cyclopentanamine
Descriptor: CHLORIDE ION, Chaperone protein IpgC, DI(HYDROXYETHYL)ETHER, ...
Authors:Gardonyi, M, Heine, A, Klebe, G.
Deposit date:2021-04-12
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Crystal structure of a shortened IpgC variant in complex with N-(2H-1,3-benzodioxol-5-ylmethyl)cyclopentanamine
To be published
7NHW
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BU of 7nhw by Molmil
Crystal structure of a shortened IpgC variant in complex with chlorzoxazone
Descriptor: CHLORIDE ION, CHLORZOXAZONE, Chaperone protein IpgC, ...
Authors:Gardonyi, M, Heine, A, Klebe, G.
Deposit date:2021-02-11
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Crystal structure of a shortened IpgC variant in complex with chlorzoxazone
To be published
7NL8
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BU of 7nl8 by Molmil
Crystal structure of a shortened IpgC variant in complex with 3-methylbenzohydrazide
Descriptor: 3-methylbenzohydrazide, CHLORIDE ION, Chaperone protein IpgC, ...
Authors:Gardonyi, M, Heine, A, Klebe, G.
Deposit date:2021-02-22
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Crystal structure of a shortened IpgC variant in complex with 3-methylbenzohydrazide
To be published
7OWV
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BU of 7owv by Molmil
Crystal structure of IpgC in complex with a follow-up compound based on J20
Descriptor: 3-(4-chlorophenyl)-5-methylsulfanyl-1~{H}-pyrazole-4-carbonitrile, CHLORIDE ION, Chaperone protein IpgC, ...
Authors:Gardonyi, M, Heine, A, Klebe, G.
Deposit date:2021-06-19
Release date:2022-07-13
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Crystal structure of IpgC in complex with a follow-up compound based on J20
To be published
7P42
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BU of 7p42 by Molmil
Crystal structure of IpgC in complex with a follow-up compound based on J2
Descriptor: 2-(4,6-dimethylpyrimidin-2-yl)-3H-isoindol-1-imine, CHLORIDE ION, Chaperone protein IpgC, ...
Authors:Gardonyi, M, Heine, A, Klebe, G.
Deposit date:2021-07-09
Release date:2022-07-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of IpgC in complex with a follow-up compound based on J2
To be published
7PEF
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BU of 7pef by Molmil
Crystal structure of IpgC in complex with DMSO
Descriptor: CHLORIDE ION, Chaperone protein IpgC, DIMETHYL SULFOXIDE, ...
Authors:Gardonyi, M, Heine, A, Klebe, G.
Deposit date:2021-08-10
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Crystal structure of IpgC in complex with DMSO
To be published
7PE0
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BU of 7pe0 by Molmil
Crystal structure of IpgC in complex with J52
Descriptor: 2-(1H-imidazol-1-yl)-N-(trans-4-methylcyclohexyl)acetamide, CHLORIDE ION, Chaperone protein IpgC, ...
Authors:Gardonyi, M, Heine, A, Klebe, G.
Deposit date:2021-08-09
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of IpgC in complex with J52
To be published
7AXY
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BU of 7axy by Molmil
Crystal structure of a shortened IpgC variant in complex with 3-amino-5-(pyrrolidin-1-yl)-1H-pyrazole-4-carbonitrile
Descriptor: 5-azanyl-3-pyrrolidin-1-yl-1~{H}-pyrazole-4-carbonitrile, CHLORIDE ION, Chaperone protein IpgC, ...
Authors:Gardonyi, M, Heine, A, Klebe, G.
Deposit date:2020-11-10
Release date:2021-11-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Crystal structure of a shortened IpgC variant in complex with 3-amino-5-(pyrrolidin-1-yl)-1H-pyrazole-4-carbonitrile
To be published
7AYW
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BU of 7ayw by Molmil
Crystal structure of a shortened IpgC variant in complex with 2H-isoindol-1-amine
Descriptor: 1H-isoindol-3-amine, CHLORIDE ION, Chaperone protein IpgC, ...
Authors:Gardonyi, M, Heine, A, Klebe, G.
Deposit date:2020-11-13
Release date:2021-11-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Crystal structure of a shortened IpgC variant in complex with 2H-isoindol-1-amine
To be published
7AZV
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BU of 7azv by Molmil
Crystal structure of a shortened IpgC variant in complex with 4-(trifluoromethyl)benzene-1-carboximidamide
Descriptor: 4-(trifluoromethyl)benzenecarboximidamide, CHLORIDE ION, Chaperone protein IpgC, ...
Authors:Gardonyi, M, Heine, A, Klebe, G.
Deposit date:2020-11-17
Release date:2021-12-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Crystal structure of a shortened IpgC variant in complex with 4-(trifluoromethyl)benzene-1-carboximidamide
To be published
7B1U
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BU of 7b1u by Molmil
Crystal structure of a shortened IpgC variant in complex with 3-(3,4-difluorophenyl)-1H,4H,6H,7H-imidazo[2,1-c][1,2,4]triazine
Descriptor: 3-[3,4-bis(fluoranyl)phenyl]-1,4,6,7-tetrahydroimidazo[2,1-c][1,2,4]triazine, CHLORIDE ION, Chaperone protein IpgC, ...
Authors:Gardonyi, M, Heine, A, Klebe, G.
Deposit date:2020-11-25
Release date:2021-12-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Crystal structure of a shortened IpgC variant in complex with 3-(3,4-difluorophenyl)-1H,4H,6H,7H-imidazo[2,1-c][1,2,4]triazine
To be published
8QH6
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BU of 8qh6 by Molmil
Crystal structure of IpgC in complex with a follow-up compound based on J20
Descriptor: 3-azanyl-6-chloranyl-isoindol-1-one, CHLORIDE ION, Chaperone protein IpgC, ...
Authors:Wallbaum, J.E, Heine, A, Reuter, K.
Deposit date:2023-09-06
Release date:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystallographic Fragment Screening on the Shigella Type III Secretion System Chaperone IpgC.
Acs Omega, 8, 2023

227344

數據於2024-11-13公開中

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