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6T13
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BU of 6t13 by Molmil
CRYSTAL STRUCTURE OF GLUCOCEREBROSIDASE IN COMPLEX WITH A PYRROLOPYRAZINE
Descriptor: 1,2-ETHANEDIOL, 1-[4-[2-(4-methoxyphenyl)-5-methyl-pyrrolo[2,3-b]pyrazin-6-yl]piperidin-1-yl]ethanone, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Benz, J, Ehler, A, Hug, M, Huber, S, Rufer, A.C, Guba, W, Jagasia, R, Hofmann, E.C, Rodriguez Sarmiento, R.M.
Deposit date:2019-10-03
Release date:2020-12-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Novel beta-Glucocerebrosidase Activators That Bind to a New Pocket at a Dimer Interface and Induce Dimerization.
Angew.Chem.Int.Ed.Engl., 60, 2021
4J30
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BU of 4j30 by Molmil
Structure of the effector - immunity system Tae4 / Tai4 from Salmonella typhimurium, selenomethionine variant
Descriptor: 2-ETHOXYETHANOL, CITRATE ANION, Putative cytoplasmic protein, ...
Authors:Benz, J, Reinstein, J, Meinhart, A.
Deposit date:2013-02-05
Release date:2013-05-22
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Insights into the Effector - Immunity System Tae4/Tai4 from Salmonella typhimurium.
Plos One, 8, 2013
4J32
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BU of 4j32 by Molmil
Structure of the effector - immunity system Tae4 / Tai4 from Salmonella typhimurium
Descriptor: 2-ETHOXYETHANOL, CITRATE ANION, Putative cytoplasmic protein, ...
Authors:Benz, J, Reinstein, J, Meinhart, A.
Deposit date:2013-02-05
Release date:2013-05-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Insights into the Effector - Immunity System Tae4/Tai4 from Salmonella typhimurium.
Plos One, 8, 2013
1QDE
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BU of 1qde by Molmil
CRYSTAL STRUCTURE OF THE ATPASE DOMAIN OF TRANSLATION INITIATION FACTOR 4A FROM SACCHAROMYCES CEREVISIAE-THE PROTOTYPE OF THE DEAD BOX PROTEIN FAMILY
Descriptor: SULFATE ION, TRANSLATION INITIATION FACTOR 4A
Authors:Benz, J, Trachsel, H, Baumann, U.
Deposit date:1999-05-20
Release date:2000-05-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the ATPase domain of translation initiation factor 4A from Saccharomyces cerevisiae--the prototype of the DEAD box protein family.
Structure Fold.Des., 7, 1999
6ELJ
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BU of 6elj by Molmil
FAB Fragment. AbVance: Increasing our knowledge of antibody structural space to enable faster and better decision making in antibody drug discovery
Descriptor: fAB heavy chain, fAB light chain
Authors:Benz, J, Weigand, S, Dengl, S, Schlothauer, T, Auer, J, Ehler, A, Kettenberger, H, Lorenz, S, Hirschheydt, T, Georges, G.
Deposit date:2017-09-29
Release date:2017-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:AbVance: increasing our knowledge of antibody structural space to enable faster and better decision making in antibody drug discovery
To Be Published
6ELE
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BU of 6ele by Molmil
FAB Fragment. AbVance: Increasing our knowledge of antibody structural space to enable faster and better decision making in antibody drug discovery
Descriptor: 1,2-ETHANEDIOL, SODIUM ION, fAB heavy chain, ...
Authors:Benz, J, Weigand, S, Dengl, S, Schlothauer, T, Auer, J, Ehler, A, Kettenberger, H, Lorenz, S, Hirschheydt, T, Georges, G.
Deposit date:2017-09-28
Release date:2017-11-08
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:AbVance: increasing our knowledge of antibody structural space to enable faster and better decision making in antibody drug discovery
To Be Published
6ELL
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BU of 6ell by Molmil
FAB Fragment. AbVance: Increasing our knowledge of antibody structural space to enable faster and better decision making in antibody drug discovery
Descriptor: fAB heavy chain, fAB light chain
Authors:Benz, J, Weigand, S, Dengl, S, Schlothauer, T, Auer, J, Ehler, A, Kettenberger, H, Lorenz, S, Hirschheydt, T, Georges, G.
Deposit date:2017-09-29
Release date:2017-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:AbVance: increasing our knowledge of antibody structural space to enable faster and better decision making in antibody drug discovery
To Be Published
6EMJ
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BU of 6emj by Molmil
FAB Fragment. AbVance: Increasing our knowledge of antibody structural space to enable faster and better decision making in antibody drug discovery
Descriptor: SODIUM ION, fAB heavy chain, fAb light chain
Authors:Benz, J, Weigand, S, Dengl, S, Schlothauer, T, Auer, J, Ehler, A, Kettenberger, H, Lorenz, S, Hirschheydt, T, Georges, G.
Deposit date:2017-10-02
Release date:2017-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:AbVance: increasing our knowledge of antibody structural space to enable faster and better decision making in antibody drug discovery
To Be Published
4FGD
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BU of 4fgd by Molmil
Structure of the effector protein Tse1 from Pseudomonas aeruginosa, selenomethionine variant
Descriptor: CHLORIDE ION, THIOCYANATE ION, Tse1
Authors:Benz, J, Sendlmeier, C, Barends, T.R.M, Meinhart, A.
Deposit date:2012-06-04
Release date:2012-06-20
Last modified:2012-07-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Insights into the Effector - Immunity System Tse1/Tsi1 from Pseudomonas aeruginosa.
Plos One, 7, 2012
4FGE
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BU of 4fge by Molmil
Structure of the effector protein Tse1 from Pseudomonas aeruginosa
Descriptor: CHLORIDE ION, GLYCEROL, THIOCYANATE ION, ...
Authors:Benz, J, Sendlmeier, C, Barends, T.R.M, Meinhart, A.
Deposit date:2012-06-04
Release date:2012-06-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Insights into the Effector - Immunity System Tse1/Tsi1 from Pseudomonas aeruginosa.
Plos One, 7, 2012
4FGI
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BU of 4fgi by Molmil
Structure of the effector - immunity system Tse1 / Tsi1 from Pseudomonas aeruginosa
Descriptor: Tse1, Tsi1
Authors:Benz, J, Sendlmeier, C, Barends, T.R.M, Meinhart, A.
Deposit date:2012-06-04
Release date:2012-06-20
Last modified:2012-07-25
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural Insights into the Effector - Immunity System Tse1/Tsi1 from Pseudomonas aeruginosa.
Plos One, 7, 2012
6YIO
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BU of 6yio by Molmil
CRYSTAL STRUCTURE OF FAB RG6292 IN COMPLEX WITH CD25 ECD
Descriptor: FAB FRAGMENT HEAVY CHAIN, FAB FRGAMENT LIGHT CHAIN, Interleukin-2 receptor subunit alpha
Authors:Benz, J, Koll, H, Leibrock, L.
Deposit date:2020-04-01
Release date:2020-11-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:CD25-T reg -depleting antibodies preserving IL-2 signaling on effector T cells enhance effector activation and antitumor immunity.
Nat Cancer, 1, 2020
2FVJ
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BU of 2fvj by Molmil
A novel anti-adipogenic partial agonist of peroxisome proliferator-activated receptor-gamma (PPARG) recruits pparg-coactivator-1 alpha (PGC1A) but potentiates insulin signaling in vitro
Descriptor: 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXY-4-{[4-(2-METHOXYPHENYL)PIPERIDIN-1-YL]METHYL}ISOQUINOLINE, GLYCEROL, Nuclear receptor coactivator 1, ...
Authors:Benz, J, Burgermeister, E, Flament, A, Schnoebelen, A, Stihle, M, Gsell, B, Rufer, A, Ruf, A, Kuhn, B, Maerki, H.P, Mizrahi, J, Sebokova, E, Niesor, E, Meyer, M.
Deposit date:2006-01-31
Release date:2006-05-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:A novel partial agonist of peroxisome proliferator-activated receptor-gamma (PPARgamma) recruits PPARgamma-coactivator-1alpha, prevents triglyceride accumulation, and potentiates insulin signaling in vitro
Mol.Endocrinol., 20, 2006
3FEI
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BU of 3fei by Molmil
Design and biological evaluation of novel, balanced dual PPARa/g agonists
Descriptor: (2S)-3-(4-{[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy}-2-methylphenyl)-2-ethoxypropanoic acid, Peptide motif 5 of Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor alpha
Authors:Benz, J, Grether, U, Gsell, B, Binggeli, A, Hilpert, H, Maerki, H.P, Mohr, P, Ruf, A, Stihle, M, Schlatter, D.
Deposit date:2008-11-30
Release date:2009-10-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Design and biological evaluation of novel, balanced dual PPARalpha/gamma agonists
Chemmedchem, 4, 2009
3FEJ
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BU of 3fej by Molmil
Design and biological evaluation of novel, balanced dual PPARa/g agonists
Descriptor: (2S)-3-(4-{[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy}-2-methylphenyl)-2-ethoxypropanoic acid, Peroxisome proliferator-activated receptor gamma, peptide motif 3 of Nuclear receptor coactivator 1
Authors:Benz, J, Grether, U, Gsell, B, Binggeli, A, Hilpert, H, Kuhn, B, Maerki, H.P, Mohr, P, Ruf, A, Stihle, M.
Deposit date:2008-11-30
Release date:2009-10-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Design and biological evaluation of novel, balanced dual PPARalpha/gamma agonists
Chemmedchem, 4, 2009
3G8I
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BU of 3g8i by Molmil
Aleglitazar, a new, potent, and balanced PPAR alpha/gamma agonist for the treatment of type II diabetes
Descriptor: (2S)-2-methoxy-3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl}propanoic acid, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor alpha
Authors:Benz, J, Bernardeau, A, Binggeli, A, Blum, D, Boehringer, M, Grether, U, Hilpert, H, Kuhn, B, Maerki, H.P, Meyer, M, Puentener, K, Raab, S, Ruf, A, Schlatter, D, Gsell, B, Stihle, M, Mohr, P.
Deposit date:2009-02-12
Release date:2009-06-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Aleglitazar, a new, potent, and balanced dual PPARalpha/gamma agonist for the treatment of type II diabetes.
Bioorg.Med.Chem.Lett., 19, 2009
5CSZ
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BU of 5csz by Molmil
CRYSTAL STRUCTURE OF GANTENERUMAB FAB FRAGMENT IN COMPLEX WITH ABETA 1-11
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Amyloid beta A4 protein, GANTENERUMAB FAB FRAGMENT HEAVY CHAIN, ...
Authors:Benz, J, Burger, D, Loetscher, H.R, Bohrmann, B.
Deposit date:2015-07-23
Release date:2015-08-12
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Gantenerumab: a novel human anti-Abeta antibody demonstrates sustained cerebral amyloid-Beta binding and elicits cell-mediated removal of human amyloid-Beta.
J. Alzheimers Dis., 28, 2012
4LIQ
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BU of 4liq by Molmil
Structure of the extracellular domain of human CSF-1 receptor in complex with the Fab fragment of RG7155
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab fragment RG7155 heavy chain, Fab fragment RG7155 light chain, ...
Authors:Benz, J, Gorr, I.H, Hertenberger, H, Ries, C.H.
Deposit date:2013-07-03
Release date:2014-06-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Targeting tumor-associated macrophages with anti-CSF-1R antibody reveals a strategy for cancer therapy
Cancer Cell, 25, 2014
5DMG
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BU of 5dmg by Molmil
X-RAY STRUCTURE OF THE FAB FRAGMENT OF THE ANTI TAU ANTIBODY RB86 IN COMPLEX WITH THE PHOSPHORYLATED TAU PEPTIDE (416-430)
Descriptor: Microtubule-associated protein, RB86 antibody Fab fragment heavy chain, RB86 antibody Fab fragment light chain
Authors:Benz, J, Lorenz, S, Georges, G, Jochner, A, Goepfert, U, Grueninger, F, Bujotzek, A.
Deposit date:2015-09-08
Release date:2015-12-16
Last modified:2016-03-02
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:VH-VL orientation prediction for antibody humanization candidate selection: A case study.
Mabs, 8, 2016
8PTR
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BU of 8ptr by Molmil
COMPLEX CRYSTAL STRUCTURE OF MUTANT HUMAN MONOGLYCERIDE LIPASE WITH COMPOUND 5r
Descriptor: (3~{R},4~{S})-4-(1,3-benzodioxol-5-yl)-1-[1-(benzotriazol-1-ylcarbonyl)piperidin-4-yl]-3-(3-fluorophenyl)azetidin-2-one, 1,2-ETHANEDIOL, Monoglyceride lipase
Authors:Butini, S, Benz, J, Grether, U, Leibrock, L, Papa, A, Maramai, S, Carullo, G, Federico, S, Grillo, A, Di Guglielmo, B, Lamponi, S, Gemma, S, Campiani, G.
Deposit date:2023-07-14
Release date:2024-01-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Development of Potent and Selective Monoacylglycerol Lipase Inhibitors. SARs, Structural Analysis, and Biological Characterization.
J.Med.Chem., 67, 2024
7ZPG
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BU of 7zpg by Molmil
CRYSTAL STRUCTURE OF HUMAN MONOGLYCERIDE LIPASE WITH LIGAND
Descriptor: Monoglyceride lipase, [(7R,9aR)-7-(4-chlorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(2-bromanyl-3-methoxy-phenyl)methanone
Authors:Kemble, A, Hornsperger, B, Ruf, I, Richter, H, Benz, J, Kuhn, B, Heer, D, Wittwer, M, Engelhardt, B, Grether, U, Collin, L, Leibrock, L.
Deposit date:2022-04-27
Release date:2022-09-21
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:A potent and selective inhibitor for the modulation of MAGL activity in the neurovasculature.
Plos One, 17, 2022
7PRM
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BU of 7prm by Molmil
CRYSTAL STRUCTURE OF HUMAN MONOGLYCERIDE LIPASE WITH COMPOUND 13
Descriptor: (4~{R})-1-[4-(4-fluorophenyl)phenyl]-4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]pyrrolidin-2-one, 1,2-ETHANEDIOL, Monoglyceride lipase
Authors:Grether, U, Gobbi, L, Kuhn, B, Collin, L, Leibrock, L, Heer, D, Wittwer, M, Benz, J.
Deposit date:2021-09-22
Release date:2022-02-16
Last modified:2022-02-23
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Development of High Brain-Penetrant and Reversible Monoacylglycerol Lipase PET Tracers for Neuroimaging.
J.Med.Chem., 65, 2022
8PTC
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BU of 8ptc by Molmil
COMPLEX CRYSTAL STRUCTURE OF MUTANT HUMAN MONOGLYCERIDE LIPASE WITH COMPOUND 5d
Descriptor: 1,2-ETHANEDIOL, 4-[(3~{R},4~{S})-2-oxidanylidene-3,4-diphenyl-azetidin-1-yl]piperidine-1-carbaldehyde, Monoglyceride lipase
Authors:Butini, S, Benz, J, Grether, U, Leibrock, L, Papa, A, Maramai, S, Carullo, G, Federico, S, Grillo, A, Di Guglielmo, B, Lamponi, S, Gemma, S, Campiani, G.
Deposit date:2023-07-14
Release date:2024-01-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Development of Potent and Selective Monoacylglycerol Lipase Inhibitors. SARs, Structural Analysis, and Biological Characterization.
J.Med.Chem., 67, 2024
8PTQ
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BU of 8ptq by Molmil
COMPLEX CRYSTAL STRUCTURE OF MUTANT HUMAN MONOGLYCERIDE LIPASE WITH COMPOUND 5l
Descriptor: 1,2-ETHANEDIOL, Monoglyceride lipase, methyl 4-[(2~{S},3~{R})-3-(4-fluorophenyl)-1-(1-methanoylpiperidin-4-yl)-4-oxidanylidene-azetidin-2-yl]benzoate
Authors:Butini, S, Grether, U, Benz, J, Leibrock, L, Maramai, S, Papa, A, Carullo, G, Federico, S, Grillo, A, Di Guglielmo, B, Lamponi, S, Gemma, S, Campiani, G.
Deposit date:2023-07-14
Release date:2024-01-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Development of Potent and Selective Monoacylglycerol Lipase Inhibitors. SARs, Structural Analysis, and Biological Characterization.
J.Med.Chem., 67, 2024
6GHG
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BU of 6ghg by Molmil
Variable heavy - variable light domain and Fab-arm CrossMabs with charged residue exchanges
Descriptor: Fab heavy chain, Fab light chain, HEXAETHYLENE GLYCOL, ...
Authors:Regula, J, Imhof-Jung, S, Molhoj, M, Benz, J, Ehler, A, Bujotzek, A, Schaefer, W, Klein, C.
Deposit date:2018-05-07
Release date:2018-09-12
Last modified:2018-12-05
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Variable heavy-variable light domain and Fab-arm CrossMabs with charged residue exchanges to enforce correct light chain assembly.
Protein Eng. Des. Sel., 31, 2018

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