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7QMK
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BU of 7qmk by Molmil
Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping down structure 12)
Descriptor: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Huang, C.Y, Aumonier, S, Wang, M.
Deposit date:2021-12-20
Release date:2022-08-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
7QMM
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BU of 7qmm by Molmil
Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping down structure 14)
Descriptor: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Huang, C.Y, Aumonier, S, Wang, M.
Deposit date:2021-12-20
Release date:2022-08-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
7QMN
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BU of 7qmn by Molmil
Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping down structure 15)
Descriptor: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Huang, C.Y, Aumonier, S, Wang, M.
Deposit date:2021-12-20
Release date:2022-08-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
7QMO
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BU of 7qmo by Molmil
Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping down structure 16)
Descriptor: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Huang, C.Y, Aumonier, S, Wang, M.
Deposit date:2021-12-20
Release date:2022-08-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
7QMP
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BU of 7qmp by Molmil
Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping down structure 17)
Descriptor: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Huang, C.Y, Aumonier, S, Wang, M.
Deposit date:2021-12-20
Release date:2022-08-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
7QMQ
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BU of 7qmq by Molmil
Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping down structure 18)
Descriptor: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Huang, C.Y, Aumonier, S, Wang, M.
Deposit date:2021-12-20
Release date:2022-08-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
7QMR
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BU of 7qmr by Molmil
Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping up structure 1)
Descriptor: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Huang, C.Y, Aumonier, S, Wang, M.
Deposit date:2021-12-20
Release date:2022-08-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
7QMT
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BU of 7qmt by Molmil
Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping up structure 3)
Descriptor: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Huang, C.Y, Aumonier, S, Wang, M.
Deposit date:2021-12-20
Release date:2022-08-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
7QMS
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BU of 7qms by Molmil
Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping up structure 2)
Descriptor: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Huang, C.Y, Aumonier, S, Wang, M.
Deposit date:2021-12-20
Release date:2022-08-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
7QMU
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BU of 7qmu by Molmil
Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping up structure 4)
Descriptor: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Huang, C.Y, Aumonier, S, Wang, M.
Deposit date:2021-12-20
Release date:2022-08-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
7QMV
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BU of 7qmv by Molmil
Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping up structure 5)
Descriptor: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Huang, C.Y, Aumonier, S, Wang, M.
Deposit date:2021-12-20
Release date:2022-08-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
7QMW
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BU of 7qmw by Molmil
Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping up structure 6)
Descriptor: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Huang, C.Y, Aumonier, S, Wang, M.
Deposit date:2021-12-20
Release date:2022-08-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
7QMX
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BU of 7qmx by Molmil
Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping up structure 7)
Descriptor: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Huang, C.Y, Aumonier, S, Wang, M.
Deposit date:2021-12-20
Release date:2022-08-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
7QN0
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BU of 7qn0 by Molmil
Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping up structure 10)
Descriptor: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Huang, C.Y, Aumonier, S, Wang, M.
Deposit date:2021-12-20
Release date:2022-08-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
7QN2
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BU of 7qn2 by Molmil
Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping up structure 12)
Descriptor: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Huang, C.Y, Aumonier, S, Wang, M.
Deposit date:2021-12-20
Release date:2022-08-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
5MB5
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BU of 5mb5 by Molmil
Cocktail experiment C: fragments 103 and 171 in complex with Endothiapepsin
Descriptor: 4-methyl-5-(1-methyl-1H-imidazol-2-yl)-1,3-thiazol-2-amine, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Radeva, N, Heine, A, Klebe, G.
Deposit date:2016-11-07
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Comparison of cocktails versus single soaking experiments
To Be Published
5MB0
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BU of 5mb0 by Molmil
Cocktail experiment A: fragments 63, 267, and 291 in complex with Endothiapepsin
Descriptor: 2,5-dimethyl-N-(pyridin-4-yl)furan-3-carboxamide, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Radeva, N, Heine, A, Klebe, G.
Deposit date:2016-11-07
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.149 Å)
Cite:Comparison of cocktail versus single soaking experimets
To Be Published
1N4H
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BU of 1n4h by Molmil
Characterization of ligands for the orphan nuclear receptor RORbeta
Descriptor: Nuclear Receptor ROR-beta, RETINOIC ACID, Steroid Receptor Coactivator-1
Authors:Stehlin-Gaon, C, Willmann, D, Sanglier, S, Van Dorsselaer, A, Renaud, J.-P, Moras, D, Schuele, R.
Deposit date:2002-10-31
Release date:2003-09-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:All-trans retinoic acid is a ligand for the orphan nuclear receptor RORbeta
Nat.Struct.Biol., 10, 2003
2PAN
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BU of 2pan by Molmil
Crystal structure of E. coli glyoxylate carboligase
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, FLAVIN-ADENINE DINUCLEOTIDE, Glyoxylate carboligase, ...
Authors:Kaplun, A, Chipman, D.M, Barak, Z, Vyazmensky, M, Shaanan, B.
Deposit date:2007-03-27
Release date:2008-01-01
Last modified:2021-08-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Glyoxylate carboligase lacks the canonical active site glutamate of thiamine-dependent enzymes.
Nat.Chem.Biol., 4, 2008
1KV6
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BU of 1kv6 by Molmil
X-ray structure of the orphan nuclear receptor ERR3 ligand-binding domain in the constitutively active conformation
Descriptor: ESTROGEN-RELATED RECEPTOR GAMMA, steroid receptor coactivator 1
Authors:Greschik, H, Wurtz, J.-M, Sanglier, S, Bourguet, W, van Dorsselaer, A, Moras, D, Renaud, J.-P, Structural Proteomics in Europe (SPINE)
Deposit date:2002-01-25
Release date:2003-01-25
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural and Functional Evidence for Ligand-Independent Transcriptional Activation by the Estrogen-Related Receptor 3
Mol.Cell, 9, 2002
8BEO
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BU of 8beo by Molmil
Crystal structure of E. coli glyoxylate carboligase mutant I393A with MAP
Descriptor: (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2,3-DIMETHOXY-5-METHYL-1,4-BENZOQUINONE, ...
Authors:Shaanan, B, Binshtein, E.
Deposit date:2022-10-21
Release date:2023-11-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Crystal structure of E. coli glyoxylate carboligase mutant I393A with MAP
To Be Published
5N4N
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BU of 5n4n by Molmil
Crystal structure of human Pim-1 kinase in complex with a consensus peptide and fragment like molecule 3,4-dimethyl-5-(1H-1,2,4-triazol-3-yl)thiophene-2-carbonitrile
Descriptor: 3,4-dimethyl-5-(1~{H}-1,2,4-triazol-3-yl)thiophene-2-carbonitrile, Pimtide, Serine/threonine-protein kinase pim-1
Authors:Siefker, C, Heine, A, Klebe, G.
Deposit date:2017-02-11
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:A crystallographic fragment study with human Pim-1 kinase
to be published
5N51
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BU of 5n51 by Molmil
Crystal structure of human Pim-1 kinase in complex with a consensus peptide and fragment like molecule 3,4-Dibromothiophene-2-carboxylic acid
Descriptor: 3,4-bis(bromanyl)thiophene-2-carboxylic acid, Pimtide, Serine/threonine-protein kinase pim-1
Authors:Siefker, C, Heine, A, Klebe, G.
Deposit date:2017-02-11
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.118 Å)
Cite:A crystallographic fragment study with human Pim-1 kinase
to be published
5N4X
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BU of 5n4x by Molmil
Crystal structure of human Pim-1 kinase in complex with a consensuspeptide and fragment like molekule 4,5-dibromothiophene-2-carbohydrazide
Descriptor: 4,5-bis(bromanyl)thiophene-2-carbohydrazide, Pimtide, Serine/threonine-protein kinase pim-1
Authors:Siefker, C, Heine, A, Klebe, G.
Deposit date:2017-02-11
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A crystallographic fragment study with human Pim-1 kinase
to be published
5N4V
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BU of 5n4v by Molmil
Crystal structure of human Pim-1 kinase in complex with a consensuspeptide and fragment like molekule 2-cyclopropyl-4,5-dimethylthieno[5,4-d]pyrimidine-6-carboxylic acid
Descriptor: 2-cyclopropyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid, GLYCEROL, Pimtide, ...
Authors:Siefker, C, Heine, A, Klebe, G.
Deposit date:2017-02-11
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A crystallographic fragment study with human Pim-1 kinase
to be published

221716

數據於2024-06-26公開中

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