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3FZN
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BU of 3fzn by Molmil
Intermediate analogue in benzoylformate decarboxylase
Descriptor: 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(S)-hydroxy[(R)-hydroxy(methoxy)phosphoryl]phenylmethyl}-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium, Benzoylformate decarboxylase, CHLORIDE ION, ...
Authors:Bruning, M, Berheide, M, Meyer, D, Golbik, R, Bartunik, H, Liese, A, Tittmann, K.
Deposit date:2009-01-26
Release date:2009-05-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structural and kinetic studies on native intermediates and an intermediate analogue in benzoylformate decarboxylase reveal a least motion mechanism with an unprecedented short-lived predecarboxylation intermediate.
Biochemistry, 48, 2009
4FBM
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BU of 4fbm by Molmil
LipS and LipT, two metagenome-derived lipolytic enzymes increase the diversity of known lipase and esterase families
Descriptor: BROMIDE ION, LipS lipolytic enzyme
Authors:Chow, J, Krauss, U, Dall Antonia, Y, Fersini, F, Schmeisser, C, Schmidt, M, Menyes, I, Bornscheuer, U, Lauinger, B, Bongen, P, Pietruszka, J, Eckstein, M, Thum, O, Liese, A, Mueller-Dieckmann, J, Jaeger, K.-E, Kovavic, F, Streit, W.R, Structural Proteomics in Europe (SPINE)
Deposit date:2012-05-23
Release date:2012-10-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The Metagenome-Derived Enzymes LipS and LipT Increase the Diversity of Known Lipases.
Plos One, 7, 2012
4FBL
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BU of 4fbl by Molmil
LipS and LipT, two metagenome-derived lipolytic enzymes increase the diversity of known lipase and esterase families
Descriptor: CHLORIDE ION, LipS lipolytic enzyme, SPERMIDINE
Authors:Chow, J, Krauss, U, Dall Antonia, Y, Fersini, F, Schmeisser, C, Schmidt, M, Menyes, I, Bornscheuer, U, Lauinger, B, Bongen, P, Pietruszka, J, Eckstein, M, Thum, O, Liese, A, Mueller-Dieckmann, J, Jaeger, K.-E, Kovacic, F, Streit, W.R, Structural Proteomics in Europe (SPINE)
Deposit date:2012-05-23
Release date:2012-10-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:The Metagenome-Derived Enzymes LipS and LipT Increase the Diversity of Known Lipases.
Plos One, 7, 2012
3N2T
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BU of 3n2t by Molmil
Structure of the glycerol dehydrogenase AKR11B4 from Gluconobacter oxydans
Descriptor: Putative oxidoreductase
Authors:Richter, N, Breicha, K, Hummel, W, Niefind, K.
Deposit date:2010-05-19
Release date:2010-07-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Three-Dimensional Structure of AKR11B4, a Glycerol Dehydrogenase from Gluconobacter oxydans, Reveals a Tryptophan Residue as an Accelerator of Reaction Turnover.
J.Mol.Biol., 404, 2010
6I0Z
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BU of 6i0z by Molmil
CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 1
Descriptor: Fascin, ~{N}-(2,4-dichlorophenyl)-~{N}-methyl-ethanamide
Authors:Schuettelkopf, A.W.
Deposit date:2018-10-27
Release date:2019-02-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents.
Bioorg.Med.Chem.Lett., 29, 2019
6I16
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BU of 6i16 by Molmil
CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 15
Descriptor: 6-[(3,4-dichlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-5-oxidanylidene-1,6-naphthyridine-8-carboxamide, ACETATE ION, Fascin
Authors:Schuettelkopf, A.W.
Deposit date:2018-10-27
Release date:2019-02-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents.
Bioorg.Med.Chem.Lett., 29, 2019
6I13
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BU of 6i13 by Molmil
CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 7
Descriptor: 1,2-ETHANEDIOL, 2-[(3-chlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide, ACETATE ION, ...
Authors:Schuettelkopf, A.W.
Deposit date:2018-10-27
Release date:2019-02-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents.
Bioorg.Med.Chem.Lett., 29, 2019
6I17
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BU of 6i17 by Molmil
CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 24
Descriptor: 1,2-ETHANEDIOL, 2-[(3,4-dichlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-6-piperidin-4-yl-2,7-naphthyridine-4-carboxamide, ACETATE ION, ...
Authors:Schuettelkopf, A.W.
Deposit date:2018-10-27
Release date:2019-02-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents.
Bioorg.Med.Chem.Lett., 29, 2019
6I18
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BU of 6i18 by Molmil
CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH BDP-13176
Descriptor: 1,2-ETHANEDIOL, 5-[(3,4-dichlorophenyl)methyl]-4-oxidanylidene-1-piperidin-4-yl-~{N}-pyridin-4-yl-pyrazolo[4,3-c]pyridine-7-carboxamide, ACETATE ION, ...
Authors:Schuettelkopf, A.W.
Deposit date:2018-10-27
Release date:2019-02-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents.
Bioorg.Med.Chem.Lett., 29, 2019
7Q9S
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BU of 7q9s by Molmil
Crystal structure of PDE6D KRas peptide complex with Compound-1
Descriptor: 1,2-ETHANEDIOL, 2-methyl-3-(1~{H}-pyrazol-5-yl)imidazo[1,2-a]pyridine, DIMETHYL SULFOXIDE, ...
Authors:Yelland, T, Ismail, S.
Deposit date:2021-11-14
Release date:2022-01-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Stabilization of the RAS:PDE6D Complex Is a Novel Strategy to Inhibit RAS Signaling.
J.Med.Chem., 65, 2022
7Q9Q
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BU of 7q9q by Molmil
Crystal structure of PDE6D Geranylgeranylated cystein complex
Descriptor: 1,2-ETHANEDIOL, GERAN-8-YL GERAN, O-METHYLCYSTEINE, ...
Authors:Yelland, T, Ismail, S.
Deposit date:2021-11-14
Release date:2022-01-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Stabilization of the RAS:PDE6D Complex Is a Novel Strategy to Inhibit RAS Signaling.
J.Med.Chem., 65, 2022
7Q9R
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BU of 7q9r by Molmil
Cocrystal structure of PDE6D bound to NRAS peptide
Descriptor: 1,2-ETHANEDIOL, FARNESYL, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta, ...
Authors:Yelland, T, Ismail, S.
Deposit date:2021-11-14
Release date:2022-01-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Stabilization of the RAS:PDE6D Complex Is a Novel Strategy to Inhibit RAS Signaling.
J.Med.Chem., 65, 2022
7QF9
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BU of 7qf9 by Molmil
Crystal structure of PDE6D bound to HRas peptide
Descriptor: 1,2-ETHANEDIOL, FARNESYL, HRas peptide, ...
Authors:Yelland, T, Ismail, I.
Deposit date:2021-12-05
Release date:2022-02-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Stabilization of the RAS:PDE6D Complex Is a Novel Strategy to Inhibit RAS Signaling.
J.Med.Chem., 65, 2022
7Q9U
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BU of 7q9u by Molmil
Crystal structure of the high affinity KRas mutant PDE6D complex
Descriptor: 1,2-ETHANEDIOL, FARNESYL, GTPase KRas, ...
Authors:Yelland, T, Ismail, I.
Deposit date:2021-11-14
Release date:2022-01-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.238 Å)
Cite:Stabilization of the RAS:PDE6D Complex Is a Novel Strategy to Inhibit RAS Signaling.
J.Med.Chem., 65, 2022
7QJK
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BU of 7qjk by Molmil
Crystal structure of PDE6D in complex with Compound-2
Descriptor: 1,2-ETHANEDIOL, N-(phenylmethyl)pyridin-2-amine, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta, ...
Authors:Yelland, T, Ismail, S.
Deposit date:2021-12-16
Release date:2022-01-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Stabilization of the RAS:PDE6D Complex Is a Novel Strategy to Inhibit RAS Signaling.
J.Med.Chem., 65, 2022
6I15
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BU of 6i15 by Molmil
CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 11
Descriptor: 1,2-ETHANEDIOL, 1-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]methyl]-~{N}-methyl-2-oxidanylidene-pyridine-3-carboxamide, ACETATE ION, ...
Authors:Schuettelkopf, A.W.
Deposit date:2018-10-27
Release date:2019-02-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents.
Bioorg.Med.Chem.Lett., 29, 2019
6I11
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BU of 6i11 by Molmil
CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 3
Descriptor: ACETATE ION, Fascin, ~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-2-(phenylmethyl)isoquinoline-4-carboxamide
Authors:Schuettelkopf, A.W.
Deposit date:2018-10-27
Release date:2019-02-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents.
Bioorg.Med.Chem.Lett., 29, 2019
6I12
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BU of 6i12 by Molmil
CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 5
Descriptor: 2-[(4-chlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide, ACETATE ION, Fascin
Authors:Schuettelkopf, A.W.
Deposit date:2018-10-27
Release date:2019-02-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents.
Bioorg.Med.Chem.Lett., 29, 2019
6I14
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BU of 6i14 by Molmil
CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 9
Descriptor: 2-[(3,4-dichlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide, ACETATE ION, Fascin
Authors:Schuettelkopf, A.W.
Deposit date:2018-10-27
Release date:2019-02-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents.
Bioorg.Med.Chem.Lett., 29, 2019
6I10
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BU of 6i10 by Molmil
CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 2
Descriptor: 1,2-ETHANEDIOL, 1-[(3~{R})-1,1-bis(oxidanylidene)thiolan-3-yl]-5-[(3,4-dichlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one, ACETATE ION, ...
Authors:Schuettelkopf, A.W.
Deposit date:2018-10-27
Release date:2019-02-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents.
Bioorg.Med.Chem.Lett., 29, 2019

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