7QMK
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![BU of 7qmk by Molmil](/molmil-images/mine/7qmk) | 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
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7QMM
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![BU of 7qmm by Molmil](/molmil-images/mine/7qmm) | 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
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7QMN
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![BU of 7qmn by Molmil](/molmil-images/mine/7qmn) | 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
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7QMO
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![BU of 7qmo by Molmil](/molmil-images/mine/7qmo) | 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
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7QMP
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![BU of 7qmp by Molmil](/molmil-images/mine/7qmp) | 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
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7QMQ
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![BU of 7qmq by Molmil](/molmil-images/mine/7qmq) | 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
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7QMR
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![BU of 7qmr by Molmil](/molmil-images/mine/7qmr) | 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
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7QMT
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![BU of 7qmt by Molmil](/molmil-images/mine/7qmt) | 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
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7QMS
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![BU of 7qms by Molmil](/molmil-images/mine/7qms) | 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
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7QMU
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![BU of 7qmu by Molmil](/molmil-images/mine/7qmu) | 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
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7QMV
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![BU of 7qmv by Molmil](/molmil-images/mine/7qmv) | 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
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7QMW
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![BU of 7qmw by Molmil](/molmil-images/mine/7qmw) | 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
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7QMX
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![BU of 7qmx by Molmil](/molmil-images/mine/7qmx) | 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
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7QN0
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![BU of 7qn0 by Molmil](/molmil-images/mine/7qn0) | 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
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7QN2
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![BU of 7qn2 by Molmil](/molmil-images/mine/7qn2) | 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
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5MB5
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![BU of 5mb5 by Molmil](/molmil-images/mine/5mb5) | |
5MB0
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![BU of 5mb0 by Molmil](/molmil-images/mine/5mb0) | 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
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1N4H
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![BU of 1n4h by Molmil](/molmil-images/mine/1n4h) | 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
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2PAN
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![BU of 2pan by Molmil](/molmil-images/mine/2pan) | 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
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1KV6
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![BU of 1kv6 by Molmil](/molmil-images/mine/1kv6) | 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
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8BEO
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![BU of 8beo by Molmil](/molmil-images/mine/8beo) | 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
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5N4N
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![BU of 5n4n by Molmil](/molmil-images/mine/5n4n) | 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
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5N51
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![BU of 5n51 by Molmil](/molmil-images/mine/5n51) | |
5N4X
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![BU of 5n4x by Molmil](/molmil-images/mine/5n4x) | |
5N4V
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![BU of 5n4v by Molmil](/molmil-images/mine/5n4v) | 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
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