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5D2A
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BU of 5d2a by Molmil
Bifunctional dendrimers
Descriptor: 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, CALCIUM ION, Fucose-binding lectin, ...
Authors:Michaud, G, Visini, R, Stocker, A, Darbre, T, Reymond, J.L.
Deposit date:2015-08-05
Release date:2016-02-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.134 Å)
Cite:Overcoming antibiotic resistance inPseudomonas aeruginosabiofilms using glycopeptide dendrimers.
Chem Sci, 7, 2016
6M8Q
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BU of 6m8q by Molmil
Cleavage and Polyadenylation Specificity Factor Subunit 3 (CPSF3) in complex with NVP-LTM531
Descriptor: Cleavage and polyadenylation specificity factor subunit 3, N-{3,5-dichloro-2-hydroxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzene-1-carbonyl}-L-phenylalanine, PHOSPHATE ION, ...
Authors:Weihofen, W.A, Salcius, M, Michaud, G.
Deposit date:2018-08-22
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:CPSF3-dependent pre-mRNA processing as a druggable node in AML and Ewing's sarcoma.
Nat.Chem.Biol., 16, 2020
8VLB
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BU of 8vlb by Molmil
Crystal structure of EloBC-VHL-CDO1 complex bound to compound 4 molecular glue
Descriptor: CITRIC ACID, Cysteine dioxygenase type 1, Elongin-B, ...
Authors:Shu, W, Ma, X, Tutter, A, Buckley, D, Golosov, A, Michaud, G.
Deposit date:2024-01-11
Release date:2024-03-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A small molecule VHL molecular glue degrader for cysteine dioxygenase 1
To Be Published
8VL9
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BU of 8vl9 by Molmil
Crystal structure of EloBC-VHL-CDO1 complex bound to compound 8 molecular glue
Descriptor: CITRIC ACID, Cysteine dioxygenase type 1, Elongin-B, ...
Authors:Shu, W, Ma, X, Tutter, A, Buckley, D, Golosov, A, Michaud, G.
Deposit date:2024-01-11
Release date:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A small molecule VHL molecular glue degrader for cysteine dioxygenase 1
To Be Published
8EWV
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BU of 8ewv by Molmil
DNA-encoded library (DEL)-enabled discovery of proximity inducing small molecules
Descriptor: Bromodomain-containing protein 4, Elongin-B, Elongin-C, ...
Authors:Schreiber, S.L, Shu, W, Ma, X, Michaud, G, Bonazzi, S, Berst, F.
Deposit date:2022-10-24
Release date:2023-10-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:DNA-encoded library-enabled discovery of proximity-inducing small molecules.
Nat.Chem.Biol., 20, 2024
5D21
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BU of 5d21 by Molmil
Multivalency Effects in Glycopeptide Dendrimer Inhibitors of Pseudomonas aeruginosa Biofilms Targeting Lectin LecA
Descriptor: CALCIUM ION, LecA, phenyl beta-D-galactopyranoside
Authors:Bergmann, M, Michaud, G, Visini, R, Jin, X, Stocker, A, Darbre, T, Reymond, J.-L.
Deposit date:2015-08-05
Release date:2015-11-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Multivalency effects on Pseudomonas aeruginosa biofilm inhibition and dispersal by glycopeptide dendrimers targeting lectin LecA.
Org.Biomol.Chem., 14, 2016
5NGQ
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BU of 5ngq by Molmil
Bicyclic antimicrobial peptides
Descriptor: 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, CALCIUM ION, DLS-PRO-ALD-CYS-TYD-ALA-CYD-LYS-ALA, ...
Authors:Di Bonaventura, I, Jin, X, Visini, R, Michaud, G, Robadey, M, Koehler, T, van Delden, C, Stocker, A, Darbre, T, Reymond, J.-L.
Deposit date:2017-03-20
Release date:2017-08-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Chemical space guided discovery of antimicrobial bridged bicyclic peptides against Pseudomonas aeruginosa and its biofilms.
Chem Sci, 8, 2017
5I8X
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BU of 5i8x by Molmil
Bicyclic antimibrocial peptides
Descriptor: 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, CALCIUM ION, DLS-LYS-CYS-LYS-LEU-CYS-LYS-LYS-NH2, ...
Authors:Di Bonaventura, I, Jin, X, Visini, R, Michaud, G, Robadey, M, Koehler, T, van Delden, C, Stocker, A, Darbre, T, Reymond, J.-L.
Deposit date:2016-02-19
Release date:2017-08-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Chemical space guided discovery of antimicrobial bridged bicyclic peptides against Pseudomonas aeruginosa and its biofilms.
Chem Sci, 8, 2017
5I8M
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BU of 5i8m by Molmil
Bicyclic antimibrocial peptides
Descriptor: 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, CALCIUM ION, DLS-LYS-CYS-LYS-LEU-CYS-LEU-LYS-NH2, ...
Authors:Di Bonaventura, I, Jin, X, Visini, R, Michaud, G, Robadey, M, Koehler, T, van Delden, C, Stocker, A, Darbre, T, Reymond, J.-L.
Deposit date:2016-02-19
Release date:2017-08-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Chemical space guided discovery of antimicrobial bridged bicyclic peptides against Pseudomonas aeruginosa and its biofilms.
Chem Sci, 8, 2017
4YW6
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BU of 4yw6 by Molmil
Structural Insight into Divalent Galactoside Binding to Pseudomonas aeruginosa lectin LecA
Descriptor: CALCIUM ION, N-[(2S)-6-amino-1-oxo-1-(pyrrolidin-1-yl)hexan-2-yl]-4-(beta-D-galactopyranosyloxy)benzamide, PA-I galactophilic lectin
Authors:Visini, R, Jin, X, Michaud, G, Bergmann, M, Gillon, E, Imberty, A, Stocker, A, Darbre, T, Pieters, R, Reymond, J.-L.
Deposit date:2015-03-20
Release date:2015-09-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural Insight into Multivalent Galactoside Binding to Pseudomonas aeruginosa Lectin LecA.
Acs Chem.Biol., 10, 2015
4YW7
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BU of 4yw7 by Molmil
Structural Insight into Divalent Galactoside Binding to Pseudomonas aeruginosa lectin LecA
Descriptor: (2R,3R,4S,5R,6R,2'R,3'R,4'S,5'R,6'R)-2,2'-([(2R,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2,5-diyl]bis{1H-1,2,3-triazole-1,4-diyl[(2S,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2,5-diyl]-1H-1,2,3-triazole-1,4-diylpropane-3,1-diyloxy})bis[6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol], CALCIUM ION, PA-I galactophilic lectin, ...
Authors:Visini, R, Jin, X, Michaud, G, Bergmann, M, Gillon, E, Imberty, A, Stocker, A, Darbre, T, Pieters, R, Reymond, J.-L.
Deposit date:2015-03-20
Release date:2015-09-09
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structural Insight into Multivalent Galactoside Binding to Pseudomonas aeruginosa Lectin LecA.
Acs Chem.Biol., 10, 2015
4YWA
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BU of 4ywa by Molmil
Structural Insight into Divalent Galactoside Binding to Pseudomonas aeruginosa lectin LecA
Descriptor: (2R,3R,4S,5R,6R,2'R,3'R,4'S,5'R,6'R)-2,2'-([(2R,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2,5-diyl]bis{1H-1,2,3-triazole-1,4-diyl[(2S,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2,5-diyl]-1H-1,2,3-triazole-1,4-diylmethanediyloxy})bis[6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol], CALCIUM ION, PA-I galactophilic lectin
Authors:Visini, R, Jin, X, Michaud, G, Bergmann, M, Gillon, E, Imberty, A, Stocker, A, Darbre, T, Pieters, R, Reymond, J.-L.
Deposit date:2015-03-20
Release date:2015-09-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.192 Å)
Cite:Structural Insight into Multivalent Galactoside Binding to Pseudomonas aeruginosa Lectin LecA.
Acs Chem.Biol., 10, 2015
3BLA
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BU of 3bla by Molmil
Synthetic Gene Encoded DcpS bound to inhibitor DG153249
Descriptor: 5-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline-2,4-diamine, Scavenger mRNA-decapping enzyme DcpS
Authors:Staker, B.L, Christensen, J, Stewart, L, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D)
Deposit date:2007-12-10
Release date:2008-10-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:DcpS as a therapeutic target for spinal muscular atrophy.
Acs Chem.Biol., 3, 2008
3BL9
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BU of 3bl9 by Molmil
Synthetic Gene Encoded DcpS bound to inhibitor DG157493
Descriptor: 5-{[1-(2,3-dichlorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine, Scavenger mRNA-decapping enzyme DcpS
Authors:Staker, B.L, Christensen, J, Stewart, L, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D)
Deposit date:2007-12-10
Release date:2008-10-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:DcpS as a therapeutic target for spinal muscular atrophy.
Acs Chem.Biol., 3, 2008
3BL7
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BU of 3bl7 by Molmil
Synthetic Gene Encoded DcpS bound to inhibitor DG156844
Descriptor: 5-{[1-(2-fluorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine, Scavenger mRNA-decapping enzyme DcpS
Authors:Staker, B.L, Christensen, J, Stewart, L, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D)
Deposit date:2007-12-10
Release date:2008-10-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:DcpS as a therapeutic target for spinal muscular atrophy.
Acs Chem.Biol., 3, 2008
6YF1
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BU of 6yf1 by Molmil
FKBP12 in complex with the BMP potentiator compound 8 at 1.12A resolution
Descriptor: (1aR,3R,5S,6R,7S,9R,10R,17aS,20S,21R,22S,25R,25aR)-25-Ethyl-10,22-dihydroxy-20-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-5,7-dimethoxy-1a,3,9,21-tetramethyloctadecahydro-2H-6,10-epoxyoxireno[p]pyrido[2,1-c][1,4]oxazacyclotricosine-11,12,18,24(1aH,14H)-tetrone, Peptidyl-prolyl cis-trans isomerase FKBP1A
Authors:Kallen, J.
Deposit date:2020-03-25
Release date:2021-03-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Phenotypic screen identifies calcineurin-sparing FK506 analogs as BMP potentiators for treatment of acute kidney injury.
Cell Chem Biol, 28, 2021
6YF2
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BU of 6yf2 by Molmil
FKBP12 in complex with the BMP potentiator compound 6 at 1.03A resolution
Descriptor: (1~{R},9~{S},12~{S},13~{R},14~{S},17~{R},18~{E},21~{S},23~{S},24~{R},25~{S},27~{R})-23,25-dimethoxy-12-[(~{E})-1-[(1~{R},3~{R},4~{R})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14-bis(oxidanyl)-17-(2-oxidanylidenepropyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone, CADMIUM ION, CHLORIDE ION, ...
Authors:Kallen, J.
Deposit date:2020-03-25
Release date:2021-03-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:Phenotypic screen identifies calcineurin-sparing FK506 analogs as BMP potentiators for treatment of acute kidney injury.
Cell Chem Biol, 28, 2021
6YF0
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BU of 6yf0 by Molmil
FKBP12 in complex with the BMP potentiator compound 9 at 1.55 A resolution
Descriptor: 18-HYDROXYASCOMYCIN, Peptidyl-prolyl cis-trans isomerase FKBP1A, SULFATE ION
Authors:Kallen, J.
Deposit date:2020-03-25
Release date:2021-03-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Phenotypic screen identifies calcineurin-sparing FK506 analogs as BMP potentiators for treatment of acute kidney injury.
Cell Chem Biol, 28, 2021
6YF3
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BU of 6yf3 by Molmil
FKBP12 in complex with the BMP potentiator compound 10 at 1.00A resolution
Descriptor: (1~{R},9~{S},12~{S},13~{R},14~{S},17~{R},18~{E},21~{S},23~{S},24~{R},25~{S},27~{R})-17-ethyl-25-methoxy-12-[(~{E})-1-[(1~{R},3~{R},4~{R})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14,23-tris(oxidanyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone, CADMIUM ION, CHLORIDE ION, ...
Authors:Kallen, J.
Deposit date:2020-03-25
Release date:2021-03-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1 Å)
Cite:Phenotypic screen identifies calcineurin-sparing FK506 analogs as BMP potentiators for treatment of acute kidney injury.
Cell Chem Biol, 28, 2021

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