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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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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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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4C4D
 | | Covalent glycosyl-enzyme intermediate of Hypocrea jecorina Cel7a E217Q mutant trapped using DNP-2-deoxy-2-fluoro-cellotrioside | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLULOSE 1,4-BETA-CELLOBIOSIDASE, COBALT (II) ION, ... | | Authors: | Haddad-Momeni, M, Mackenzie, L, Sandgren, M, Withers, S.G, Stahlberg, J. | | Deposit date: | 2013-09-05 | | Release date: | 2014-01-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | The Mechanism of Cellulose Hydrolysis by a Two-Step, Retaining Cellobiohydrolase Elucidated by Structural and Transition Path Sampling Studies.
J.Am.Chem.Soc., 136, 2014
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4D5I
 | | Hypocrea jecorina cellobiohydrolase Cel7A E212Q soaked with xylotriose. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLULOSE 1,4-BETA-CELLOBIOSIDASE, COBALT (II) ION, ... | | Authors: | Momeni, M.H, Ubhayasekera, W, Stahlberg, J, Hansson, H. | | Deposit date: | 2014-11-05 | | Release date: | 2015-03-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Structural Insights Into the Inhibition of Cellobiohydrolase Cel7A by Xylooligosaccharides.
FEBS J., 282, 2015
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4C4C
 | | Michaelis complex of Hypocrea jecorina CEL7A E217Q mutant with cellononaose spanning the active site | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLULOSE 1,4-BETA-CELLOBIOSIDASE, COBALT (II) ION, ... | | Authors: | Haddad-Momeni, M, Sandgren, M, Stahlberg, J. | | Deposit date: | 2013-09-05 | | Release date: | 2014-01-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | The Mechanism of Cellulose Hydrolysis by a Two-Step, Retaining Cellobiohydrolase Elucidated by Structural and Transition Path Sampling Studies.
J.Am.Chem.Soc., 136, 2014
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4P1H
 | | Crystal structure of wild type Hypocrea jecorina Cel7a in a monoclinic crystal form | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BENZAMIDINE, Exoglucanase 1, ... | | Authors: | Bodenheimer, A.B, Cuneo, M.J, Swartz, P.D, Myles, D.A, Meilleur, F. | | Deposit date: | 2014-02-26 | | Release date: | 2015-03-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of wild type Hypocrea jecorina Cel7a in a monoclinic crystal form
to be published
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4D5J
 | | Hypocrea jecorina cellobiohydrolase Cel7A E217Q soaked with xylotriose. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLULOSE 1,4-BETA-CELLOBIOSIDASE, COBALT (II) ION, ... | | Authors: | Momeni, M.H, Ubhayasekera, W, Stahlberg, J, Hansson, H. | | Deposit date: | 2014-11-05 | | Release date: | 2015-03-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural Insights Into the Inhibition of Cellobiohydrolase Cel7A by Xylooligosaccharides.
FEBS J., 282, 2015
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4D5O
 | | Hypocrea jecorina cellobiohydrolase Cel7A E212Q soaked with xylopentaose. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLULOSE 1,4-BETA-CELLOBIOSIDASE, COBALT (II) ION, ... | | Authors: | Momeni, M.H, Ubhayasekera, W, Stahlberg, J, Hansson, H. | | Deposit date: | 2014-11-07 | | Release date: | 2015-03-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Structural Insights Into the Inhibition of Cellobiohydrolase Cel7A by Xylooligosaccharides.
FEBS J., 282, 2015
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1EGN
 | | CELLOBIOHYDROLASE CEL7A (E223S, A224H, L225V, T226A, D262G) MUTANT | | Descriptor: | 1,4-BETA-D-GLUCAN CELLOBIOHYDROLASE CEL7A, 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT (II) ION | | Authors: | Stahlberg, J, Harris, M, Jones, T.A. | | Deposit date: | 2000-02-16 | | Release date: | 2001-05-16 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Engineering of a glycosidase Family 7 cellobiohydrolase to more alkaline pH optimum: the pH behaviour of Trichoderma reesei Cel7A and its E223S/ A224H/L225V/T226A/D262G mutant.
Biochem.J., 356, 2001
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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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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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1Q2B
 | | CELLOBIOHYDROLASE CEL7A WITH DISULPHIDE BRIDGE ADDED ACROSS EXO-LOOP BY MUTATIONS D241C AND D249C | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT (II) ION, EXOCELLOBIOHYDROLASE I | | Authors: | Stahlberg, J, Harris, M, Jones, T.A. | | Deposit date: | 2003-07-24 | | Release date: | 2003-11-25 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Engineering the exo-loop of Trichoderma reesei cellobiohydrolase, Cel7A.
A comparison with Phanerochaete chrysosporium Cel7D.
J.Mol.Biol., 333, 2003
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4D5V
 | | Hypocrea jecorina cellobiohydrolase Cel7A E217Q soaked with xylotetraose. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLULOSE 1,4-BETA-CELLOBIOSIDASE, COBALT (II) ION, ... | | Authors: | Momeni, M.H, Stahlberg, J, Hansson, H. | | Deposit date: | 2014-11-07 | | Release date: | 2015-03-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Structural Insights Into the Inhibition of Cellobiohydrolase Cel7A by Xylooligosaccharides.
FEBS J., 282, 2015
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4D5Q
 | | Hypocrea jecorina Cel7A (wild type) soaked with xylopentaose. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLULOSE 1,4-BETA-CELLOBIOSIDASE, COBALT (II) ION, ... | | Authors: | Momeni, M.H, Stahlberg, J, Hansson, H. | | Deposit date: | 2014-11-07 | | Release date: | 2015-03-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Structural Insights Into the Inhibition of Cellobiohydrolase Cel7A by Xylooligosaccharides.
FEBS J., 282, 2015
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4V0Z
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6CEL
 | | CBH1 (E212Q) CELLOPENTAOSE COMPLEX | | Descriptor: | 1,4-BETA-D-GLUCAN CELLOBIOHYDROLASE I, 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT (II) ION, ... | | Authors: | Divne, C, Stahlberg, J, Jones, T.A. | | Deposit date: | 1997-09-24 | | Release date: | 1997-12-24 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | High-resolution crystal structures reveal how a cellulose chain is bound in the 50 A long tunnel of cellobiohydrolase I from Trichoderma reesei.
J.Mol.Biol., 275, 1998
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1Q2E
 | | CELLOBIOHYDROLASE CEL7A WITH LOOP DELETION 245-252 AND BOUND NON-HYDROLYSABLE CELLOTETRAOSE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, EXOCELLOBIOHYDROLASE I, ... | | Authors: | Stahlberg, J, Harris, M, Jones, T.A. | | Deposit date: | 2003-07-24 | | Release date: | 2003-11-25 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Engineering the exo-loop of Trichoderma reesei cellobiohydrolase, Cel7A.
A comparison with Phanerochaete chrysosporium Cel7D
J.Mol.Biol., 333, 2003
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6GRN
 | | CELLOBIOHYDROLASE I (CEL7A) FROM Trichoderma reesei with S-dihydroxypropranolol in the active site | | Descriptor: | 2-[[(2~{S})-3-naphthalen-1-yloxy-2-oxidanyl-propyl]amino]propane-1,3-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT (II) ION, ... | | Authors: | Sandgren, M, Fagerstrom, A, Widmalm, G, Stahlberg, J. | | Deposit date: | 2018-06-11 | | Release date: | 2018-10-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Enantioselective Binding of Propranolol and Analogues Thereof to Cellobiohydrolase Cel7A.
Chemistry, 24, 2018
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1CEL
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4D5P
 | | Hypocrea jecorina cellobiohydrolase Cel7A E217Q soaked with xylopentaose. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLULOSE 1,4-BETA-CELLOBIOSIDASE, COBALT (II) ION, ... | | Authors: | Momeni, M.H, Ubhayasekera, W, Stahlberg, J, Hansson, H. | | Deposit date: | 2014-11-07 | | Release date: | 2015-03-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Structural Insights Into the Inhibition of Cellobiohydrolase Cel7A by Xylooligosaccharides.
FEBS J., 282, 2015
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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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5CEL
 | | CBH1 (E212Q) CELLOTETRAOSE COMPLEX | | Descriptor: | 1,4-BETA-D-GLUCAN CELLOBIOHYDROLASE I, 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT (II) ION, ... | | Authors: | Divne, C, Stahlberg, J, Jones, T.A. | | Deposit date: | 1997-09-24 | | Release date: | 1997-12-24 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | High-resolution crystal structures reveal how a cellulose chain is bound in the 50 A long tunnel of cellobiohydrolase I from Trichoderma reesei.
J.Mol.Biol., 275, 1998
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7CEL
 | | CBH1 (E217Q) IN COMPLEX WITH CELLOHEXAOSE AND CELLOBIOSE | | Descriptor: | 1,4-BETA-D-GLUCAN CELLOBIOHYDROLASE I, 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT (II) ION, ... | | Authors: | Divne, C, Stahlberg, J, Jones, T.A. | | Deposit date: | 1997-09-24 | | Release date: | 1997-12-24 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | High-resolution crystal structures reveal how a cellulose chain is bound in the 50 A long tunnel of cellobiohydrolase I from Trichoderma reesei.
J.Mol.Biol., 275, 1998
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2CEL
 | | ACTIVE-SITE MUTANT E212Q DETERMINED AT PH 6.0 WITH NO LIGAND BOUND IN THE ACTIVE SITE | | Descriptor: | 1,4-BETA-D-GLUCAN CELLOBIOHYDROLASE I, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION | | Authors: | Divne, C, Stahlberg, J, Jones, T.A. | | Deposit date: | 1996-08-24 | | Release date: | 1997-03-12 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Activity studies and crystal structures of catalytically deficient mutants of cellobiohydrolase I from Trichoderma reesei.
J.Mol.Biol., 264, 1996
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