6RSV
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![BU of 6rsv by Molmil](/molmil-images/mine/6rsv) | Endothiapepsin in complex with 017 | Descriptor: | 1~{H}-1,2,3,4-tetrazol-5-ylmethyldiazane, DIMETHYL SULFOXIDE, Endothiapepsin, ... | Authors: | Magari, F, Heine, A, Klebe, G. | Deposit date: | 2019-05-22 | Release date: | 2020-07-08 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Endothiapepsin in complex with 017 To Be Published
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6RON
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![BU of 6ron by Molmil](/molmil-images/mine/6ron) | |
6SCV
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![BU of 6scv by Molmil](/molmil-images/mine/6scv) | Endothiapepsin in complex with ligand 69 | Descriptor: | Endothiapepsin, GLYCEROL, [(~{R})-cyclohexyl-[1-(2-phenylethyl)-1,2,3,4-tetrazol-5-yl]methyl]diazane | Authors: | Magari, F, Heine, A, Klebe, G. | Deposit date: | 2019-07-25 | Release date: | 2020-08-26 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Endothiapepsin in complex with ligand 69 To Be Published
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6SC0
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![BU of 6sc0 by Molmil](/molmil-images/mine/6sc0) | THERMOLYSIN IN COMPLEX WITH FRAGMENT J22 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-methyl-~{N}-[2,2,2-tris(fluoranyl)ethyl]-1,2-oxazole-3-carboxamide, BICARBONATE ION, ... | Authors: | Magari, F, Heine, A, Klebe, G. | Deposit date: | 2019-07-23 | Release date: | 2020-08-26 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | THERMOLYSIN IN COMPLEX WITH FRAGMENT J22 To Be Published
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6SCU
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![BU of 6scu by Molmil](/molmil-images/mine/6scu) | THERMOLYSIN IN COMPLEX WITH FRAGMENT J88 | Descriptor: | 4-diazanyl-4-oxidanylidene-butanoic acid, CALCIUM ION, DIMETHYL SULFOXIDE, ... | Authors: | Magari, F, Heine, A, Klebe, G. | Deposit date: | 2019-07-25 | Release date: | 2020-08-26 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | THERMOLYSIN IN COMPLEX WITH FRAGMENT J88 To Be Published
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6SDP
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![BU of 6sdp by Molmil](/molmil-images/mine/6sdp) | |
6SCK
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![BU of 6sck by Molmil](/molmil-images/mine/6sck) | |
6SBK
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![BU of 6sbk by Molmil](/molmil-images/mine/6sbk) | THERMOLYSIN IN COMPLEX WITH FRAGMENT J13 | Descriptor: | (2,5-dimethylpyrazol-3-yl)methylcarbamic acid, 1-(1,3-dimethyl-1H-pyrazol-5-yl)methanamine, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Magari, F, Heine, A, Klebe, G. | Deposit date: | 2019-07-21 | Release date: | 2020-08-26 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | THERMOLYSIN IN COMPLEX WITH FRAGMENT J13 To Be Published
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6SC1
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![BU of 6sc1 by Molmil](/molmil-images/mine/6sc1) | |
6SB9
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![BU of 6sb9 by Molmil](/molmil-images/mine/6sb9) | Thermolysin in complex with J28 | Descriptor: | 2-(pyridin-3-yl)ethanamine, CALCIUM ION, DIMETHYL SULFOXIDE, ... | Authors: | Magari, F, Heine, A, Klebe, G. | Deposit date: | 2019-07-19 | Release date: | 2020-08-26 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Thermolysin in complex with J28 To Be Published
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6SC3
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![BU of 6sc3 by Molmil](/molmil-images/mine/6sc3) | |
6T7N
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![BU of 6t7n by Molmil](/molmil-images/mine/6t7n) | |
6SDQ
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![BU of 6sdq by Molmil](/molmil-images/mine/6sdq) | |
6SDO
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![BU of 6sdo by Molmil](/molmil-images/mine/6sdo) | |
6SDN
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![BU of 6sdn by Molmil](/molmil-images/mine/6sdn) | |
6SE2
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![BU of 6se2 by Molmil](/molmil-images/mine/6se2) | |
6SF9
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![BU of 6sf9 by Molmil](/molmil-images/mine/6sf9) | |
6SFA
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![BU of 6sfa by Molmil](/molmil-images/mine/6sfa) | |
6SF8
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![BU of 6sf8 by Molmil](/molmil-images/mine/6sf8) | Trypanosoma cruzi farnesyl diphosphate synthase in complex with fragment j51 | Descriptor: | 3-[(4E)-4-imino-5,6-dimethylfuro[2,3-d]pyrimidin-3(4H)-yl]-N,N-dimethylpropan-1-amine, Farnesyl diphosphate synthase, SULFATE ION | Authors: | Magari, F, Heine, A, Klebe, G. | Deposit date: | 2019-08-01 | Release date: | 2020-08-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Trypanosoma cruzi farnesyl diphosphate synthase in complex with fragment j51 To Be Published
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5OJE
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![BU of 5oje by Molmil](/molmil-images/mine/5oje) | Endothiapepsin with Ligand VSK-B24 | Descriptor: | (2~{S})-2-azanyl-3-(1~{H}-indol-3-yl)-~{N}-[2-(2,4,6-trimethylphenyl)ethyl]propanamide, DIMETHYL SULFOXIDE, Endothiapepsin, ... | Authors: | Gierse, R.M, Magari, F, Groves, M.R, Heine, A, Klebe, G, Hirsch, A. | Deposit date: | 2017-07-21 | Release date: | 2018-09-12 | Last modified: | 2018-11-21 | Method: | X-RAY DIFFRACTION (1.579 Å) | Cite: | Design and Synthesis of Bioisosteres of Acylhydrazones as Stable Inhibitors of the Aspartic Protease Endothiapepsin. ChemMedChem, 13, 2018
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