1DY4
| CBH1 IN COMPLEX WITH S-PROPRANOLOL | Descriptor: | 1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-2-PROPANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT (II) ION, ... | Authors: | Stahlberg, J, Henriksson, H, Divne, C, Isaksson, R, Pettersson, G, Johansson, G, Jones, T.A. | Deposit date: | 2000-01-26 | Release date: | 2000-12-18 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Basis for Enantiomer Binding and Separation of a Common Beta-Blocker: Crystal Structure of Cellobiohydrolase Cel7A with Bound (S)-Propranolol at 1.9 A Resolution J.Mol.Biol., 305, 2001
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4V0Z
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4UWT
| Hypocrea jecorina Cel7A E212Q mutant in complex with p-nitrophenyl cellobioside | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLOBIOHYDROLASE CEL7A, COBALT (II) ION, ... | Authors: | Nutt, A, Momeni, M.H, Johansson, G, Stahlberg, J. | Deposit date: | 2014-08-14 | Release date: | 2015-08-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Enzyme kinetics by GH7 cellobiohydrolases on chromogenic substrates is dictated by non-productive binding: insights from crystal structures and MD simulation. Febs J., 2022
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7OC8
| Trichoderma reesei Cel7A E212Q mutant in complex with pNPL | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT (II) ION, Exoglucanase 1, ... | Authors: | Haataja, T, Sandgren, M, Stahlberg, J. | Deposit date: | 2021-04-26 | Release date: | 2022-03-09 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Enzyme kinetics by GH7 cellobiohydrolases on chromogenic substrates is dictated by non-productive binding: insights from crystal structures and MD simulation. Febs J., 290, 2023
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7NYT
| Trichoderma reesei Cel7A E212Q mutant in complex with lactose. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT (II) ION, Exoglucanase 1, ... | Authors: | Haataja, T, Sandgren, M, Stahlberg, J. | Deposit date: | 2021-03-23 | Release date: | 2022-03-09 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | Enzyme kinetics by GH7 cellobiohydrolases on chromogenic substrates is dictated by non-productive binding: insights from crystal structures and MD simulation. Febs J., 290, 2023
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3DA9
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5NQR
| Potent inhibitors of NUDT5 silence hormone signaling in breast cancer | Descriptor: | 8-(dimethylamino)-1,3-dimethyl-7-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]purine-2,6-dione, ADP-sugar pyrophosphatase | Authors: | Carter, M, Stenmark, P. | Deposit date: | 2017-04-21 | Release date: | 2018-01-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Targeted NUDT5 inhibitors block hormone signaling in breast cancer cells. Nat Commun, 9, 2018
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5NWH
| Potent inhibitors of NUDT5 silence hormone signaling in breast cancer | Descriptor: | 7-[[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione, ADP-sugar pyrophosphatase | Authors: | Carter, M, Stenmark, P. | Deposit date: | 2017-05-06 | Release date: | 2018-04-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Targeted NUDT5 inhibitors block hormone signaling in breast cancer cells. Nat Commun, 9, 2018
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2V3R
| Hypocrea jecorina Cel7A in complex with (S)-dihydroxy-phenanthrenolol | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{[(2S)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-1,3-DIOL, COBALT (II) ION, ... | Authors: | Fagerstrom, A, Sandgren, M, Berg, U, Stahlberg, J. | Deposit date: | 2007-06-21 | Release date: | 2008-07-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A Study of the Chiral Recognition Mechanisms of Cellobiohydrolase Cel7A for Ligands Based on the Beta-Blocker Motif: Crystal Structures, Microcalorimetry and Computational Modelling of Cel7A-Inhibitor Complexes. To be Published
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2V3I
| Hypocrea jecorina Cel7A in complex with (R)-dihydroxy-phenanthrenolol | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{[(2R)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-1,3-DIOL, COBALT (II) ION, ... | Authors: | Fagerstrom, A, Sandgren, M, Berg, U, Stahlberg, J. | Deposit date: | 2007-06-18 | Release date: | 2008-07-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | A Study of the Chiral Recognition Mechanisms of Cellobiohydrolase Cel7A for Ligands Based on the Beta-Blocker Motif: Crystal Structures, Microcalorimetry and Computational Modelling of Cel7A-Inhibitor Complexes. To be Published
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