4Y36
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![BU of 4y36 by Molmil](/molmil-images/mine/4y36) | Endothiapepsin in complex with fragment 4 | Descriptor: | 1,2-ETHANEDIOL, 3-methylbenzohydrazide, Endothiapepsin, ... | Authors: | Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G. | Deposit date: | 2015-02-10 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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4Y3P
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![BU of 4y3p by Molmil](/molmil-images/mine/4y3p) | Endothiapepsin in complex with fragment 17 | Descriptor: | 1-(6-methylpyrimidin-4-yl)azepane, Endothiapepsin, GLYCEROL | Authors: | Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G. | Deposit date: | 2015-02-10 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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4Y3E
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![BU of 4y3e by Molmil](/molmil-images/mine/4y3e) | Endothiapepsin in complex with fragment 5 | Descriptor: | 1H-isoindol-3-amine, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G. | Deposit date: | 2015-02-10 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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4Y4U
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![BU of 4y4u by Molmil](/molmil-images/mine/4y4u) | Endothiapepsin in complex with fragment 14 | Descriptor: | 1-(4-bromo-2-chlorophenyl)-3-methylthiourea, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ... | Authors: | Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G. | Deposit date: | 2015-02-11 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.754 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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4Y3W
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![BU of 4y3w by Molmil](/molmil-images/mine/4y3w) | Endothiapepsin in complex with fragment 35 | Descriptor: | (2R)-2-methyl-2-(morpholin-4-yl)butan-1-amine, 1,2-ETHANEDIOL, Endothiapepsin, ... | Authors: | Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G. | Deposit date: | 2015-02-10 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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4Y3Z
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![BU of 4y3z by Molmil](/molmil-images/mine/4y3z) | Endothiapepsin in complex with fragment 41 | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Endothiapepsin, ... | Authors: | Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G. | Deposit date: | 2015-02-10 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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4Y43
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![BU of 4y43 by Molmil](/molmil-images/mine/4y43) | Endothiapepsin in complex with fragment 42 | Descriptor: | (1E,2E)-N,N'-di(propan-2-yl)cyclohepta-3,5-diene-1,2-diimine, 1,2-ETHANEDIOL, Endothiapepsin, ... | Authors: | Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G. | Deposit date: | 2015-02-10 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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1SRY
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![BU of 1sry by Molmil](/molmil-images/mine/1sry) | |
3U4N
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![BU of 3u4n by Molmil](/molmil-images/mine/3u4n) | A novel covalently linked insulin dimer | Descriptor: | Insulin A chain, Insulin B chain | Authors: | Norrman, M, Vinther, T.N. | Deposit date: | 2011-10-10 | Release date: | 2012-04-11 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Novel covalently linked insulin dimer engineered to investigate the function of insulin dimerization. Plos One, 7, 2012
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7AKI
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![BU of 7aki by Molmil](/molmil-images/mine/7aki) | ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-1]-NH2 | Descriptor: | (3~{S},7~{R},10~{R},13~{S})-4-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxamide, NITRATE ION, Protein enabled homolog | Authors: | Barone, M, Roske, Y. | Deposit date: | 2020-10-01 | Release date: | 2020-11-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells. Proc.Natl.Acad.Sci.USA, 117, 2020
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7A5M
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![BU of 7a5m by Molmil](/molmil-images/mine/7a5m) | ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-17]-OMe | Descriptor: | Ac-[2-Cl-F]-[ProM-2]-[ProM-17]-OMe, NITRATE ION, Protein enabled homolog | Authors: | Barone, M, Roske, Y. | Deposit date: | 2020-08-21 | Release date: | 2020-10-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (0.78 Å) | Cite: | Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells. Proc.Natl.Acad.Sci.USA, 117, 2020
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6QAY
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![BU of 6qay by Molmil](/molmil-images/mine/6qay) | |
7OYF
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![BU of 7oyf by Molmil](/molmil-images/mine/7oyf) | |
7OYH
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![BU of 7oyh by Molmil](/molmil-images/mine/7oyh) | |
7OY3
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![BU of 7oy3 by Molmil](/molmil-images/mine/7oy3) | Crystal structure of depupylase Dop in complex with phosphorylated Pup and ADP | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Cui, H. | Deposit date: | 2021-06-23 | Release date: | 2021-12-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structures of prokaryotic ubiquitin-like protein Pup in complex with depupylase Dop reveal the mechanism of catalytic phosphate formation. Nat Commun, 12, 2021
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7OXV
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![BU of 7oxv by Molmil](/molmil-images/mine/7oxv) | Crystal structure of depupylase Dop in the Dop-loop-inserted state | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Depupylase, ... | Authors: | Cui, H. | Deposit date: | 2021-06-23 | Release date: | 2021-12-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.394 Å) | Cite: | Structures of prokaryotic ubiquitin-like protein Pup in complex with depupylase Dop reveal the mechanism of catalytic phosphate formation. Nat Commun, 12, 2021
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7OXY
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![BU of 7oxy by Molmil](/molmil-images/mine/7oxy) | Crystal structure of depupylase Dop in complex with Pup and AMP-PCP | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Cui, H. | Deposit date: | 2021-06-23 | Release date: | 2021-12-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structures of prokaryotic ubiquitin-like protein Pup in complex with depupylase Dop reveal the mechanism of catalytic phosphate formation. Nat Commun, 12, 2021
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2JSA
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![BU of 2jsa by Molmil](/molmil-images/mine/2jsa) | |
2JS9
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![BU of 2js9 by Molmil](/molmil-images/mine/2js9) | |
2KQR
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![BU of 2kqr by Molmil](/molmil-images/mine/2kqr) | |
7A4J
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![BU of 7a4j by Molmil](/molmil-images/mine/7a4j) | Aquifex aeolicus lumazine synthase-derived nucleocapsid variant NC-4 | Descriptor: | Antitermination protein N,6,7-dimethyl-8-ribityllumazine synthase,6,7-dimethyl-8-ribityllumazine synthase | Authors: | Tetter, S, Hilvert, D. | Deposit date: | 2020-08-19 | Release date: | 2021-06-02 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.04 Å) | Cite: | Evolution of a virus-like architecture and packaging mechanism in a repurposed bacterial protein. Science, 372, 2021
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7A4H
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![BU of 7a4h by Molmil](/molmil-images/mine/7a4h) | |
7A4F
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![BU of 7a4f by Molmil](/molmil-images/mine/7a4f) | |
7A4G
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![BU of 7a4g by Molmil](/molmil-images/mine/7a4g) | |
7A4I
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![BU of 7a4i by Molmil](/molmil-images/mine/7a4i) | Aquifex aeolicus lumazine synthase-derived nucleocapsid variant NC-3 | Descriptor: | Antitermination protein N,6,7-dimethyl-8-ribityllumazine synthase,6,7-dimethyl-8-ribityllumazine synthase | Authors: | Tetter, S, Hilvert, D. | Deposit date: | 2020-08-19 | Release date: | 2021-06-02 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (7.04 Å) | Cite: | Evolution of a virus-like architecture and packaging mechanism in a repurposed bacterial protein. Science, 372, 2021
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