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1DY4
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BU of 1dy4 by Molmil
CBH1 IN COMPLEX WITH S-PROPRANOLOL
分子名称: 1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-2-PROPANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT (II) ION, ...
著者Stahlberg, J, Henriksson, H, Divne, C, Isaksson, R, Pettersson, G, Johansson, G, Jones, T.A.
登録日2000-01-26
公開日2000-12-18
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
4V0Z
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BU of 4v0z by Molmil
o-nitrophenyl Cellobioside as an Active Site Probe for Family 7 Cellobiohydrolases
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLOBIOHYDROLASE CEL7A, COBALT (II) ION, ...
著者Nutt, A, Momeni, M.H, Stahlberg, J.
登録日2014-09-19
公開日2015-09-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Enzyme kinetics by GH7 cellobiohydrolases on chromogenic substrates is dictated by non-productive binding: insights from crystal structures and MD simulation.
Febs J., 2022
4UWT
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BU of 4uwt by Molmil
Hypocrea jecorina Cel7A E212Q mutant in complex with p-nitrophenyl cellobioside
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLOBIOHYDROLASE CEL7A, COBALT (II) ION, ...
著者Nutt, A, Momeni, M.H, Johansson, G, Stahlberg, J.
登録日2014-08-14
公開日2015-08-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Enzyme kinetics by GH7 cellobiohydrolases on chromogenic substrates is dictated by non-productive binding: insights from crystal structures and MD simulation.
Febs J., 2022
7OC8
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BU of 7oc8 by Molmil
Trichoderma reesei Cel7A E212Q mutant in complex with pNPL
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT (II) ION, Exoglucanase 1, ...
著者Haataja, T, Sandgren, M, Stahlberg, J.
登録日2021-04-26
公開日2022-03-09
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献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
7NYT
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BU of 7nyt by Molmil
Trichoderma reesei Cel7A E212Q mutant in complex with lactose.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT (II) ION, Exoglucanase 1, ...
著者Haataja, T, Sandgren, M, Stahlberg, J.
登録日2021-03-23
公開日2022-03-09
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.09 Å)
主引用文献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
3DA9
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BU of 3da9 by Molmil
Crystal structure of thrombin in complex with inhibitor
分子名称: Hirudin peptide, SODIUM ION, Thrombin heavy chain, ...
著者Xue, Y, Hansson, S.K.
登録日2008-05-29
公開日2009-05-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Compounds binding to the S2-S3 pockets of thrombin.
J.Med.Chem., 52, 2009
2V3R
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BU of 2v3r by Molmil
Hypocrea jecorina Cel7A in complex with (S)-dihydroxy-phenanthrenolol
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{[(2S)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-1,3-DIOL, COBALT (II) ION, ...
著者Fagerstrom, A, Sandgren, M, Berg, U, Stahlberg, J.
登録日2007-06-21
公開日2008-07-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献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
2V3I
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BU of 2v3i by Molmil
Hypocrea jecorina Cel7A in complex with (R)-dihydroxy-phenanthrenolol
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{[(2R)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-1,3-DIOL, COBALT (II) ION, ...
著者Fagerstrom, A, Sandgren, M, Berg, U, Stahlberg, J.
登録日2007-06-18
公開日2008-07-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献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
5NQR
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BU of 5nqr by Molmil
Potent inhibitors of NUDT5 silence hormone signaling in breast cancer
分子名称: 8-(dimethylamino)-1,3-dimethyl-7-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]purine-2,6-dione, ADP-sugar pyrophosphatase
著者Carter, M, Stenmark, P.
登録日2017-04-21
公開日2018-01-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Targeted NUDT5 inhibitors block hormone signaling in breast cancer cells.
Nat Commun, 9, 2018
5NWH
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BU of 5nwh by Molmil
Potent inhibitors of NUDT5 silence hormone signaling in breast cancer
分子名称: 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
著者Carter, M, Stenmark, P.
登録日2017-05-06
公開日2018-04-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Targeted NUDT5 inhibitors block hormone signaling in breast cancer cells.
Nat Commun, 9, 2018

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件を2024-07-10に公開中

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