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5KXX
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BU of 5kxx by Molmil
Hen Egg White Lysozyme at 278K, Data set 7
分子名称: Lysozyme C, SODIUM ION
著者Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H.
登録日2016-07-20
公開日2016-09-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Conformational variation of proteins at room temperature is not dominated by radiation damage.
J Synchrotron Radiat, 24, 2017
5KUR
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BU of 5kur by Molmil
Human cyclophilin A at 100K, Data set 5
分子名称: Peptidyl-prolyl cis-trans isomerase A
著者Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H.
登録日2016-07-13
公開日2016-09-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Conformational variation of proteins at room temperature is not dominated by radiation damage.
J Synchrotron Radiat, 24, 2017
5KVX
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BU of 5kvx by Molmil
T. danielli thaumatin at 100K, Data set 2
分子名称: GLYCEROL, L(+)-TARTARIC ACID, Thaumatin-1
著者Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H.
登録日2016-07-15
公開日2016-08-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Conformational variation of proteins at room temperature is not dominated by radiation damage.
J Synchrotron Radiat, 24, 2017
5KXO
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BU of 5kxo by Molmil
Hen Egg White Lysozyme at 278K, Data set 1
分子名称: Lysozyme C, SODIUM ION
著者Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H.
登録日2016-07-20
公開日2016-09-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Conformational variation of proteins at room temperature is not dominated by radiation damage.
J Synchrotron Radiat, 24, 2017
5KXW
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BU of 5kxw by Molmil
Hen Egg White Lysozyme at 278K, Data set 6
分子名称: Lysozyme C, SODIUM ION
著者Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H.
登録日2016-07-20
公開日2016-09-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Conformational variation of proteins at room temperature is not dominated by radiation damage.
J Synchrotron Radiat, 24, 2017
5KV6
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BU of 5kv6 by Molmil
Human cyclophilin A at 278K, Data set 8
分子名称: Peptidyl-prolyl cis-trans isomerase A
著者Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H.
登録日2016-07-13
公開日2016-08-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Conformational variation of proteins at room temperature is not dominated by radiation damage.
J Synchrotron Radiat, 24, 2017
5KXZ
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BU of 5kxz by Molmil
Hen Egg White Lysozyme at 278K, Data set 9
分子名称: Lysozyme C, SODIUM ION
著者Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H.
登録日2016-07-20
公開日2016-09-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Conformational variation of proteins at room temperature is not dominated by radiation damage.
J Synchrotron Radiat, 24, 2017
4NVG
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BU of 4nvg by Molmil
Predicting protein conformational response in prospective ligand discovery
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome c peroxidase, PHOSPHATE ION, ...
著者Fischer, M, Fraser, J.S.
登録日2013-12-05
公開日2013-12-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.742 Å)
主引用文献Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
4NVC
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BU of 4nvc by Molmil
Predicting protein conformational response in prospective ligand discovery
分子名称: BENZAMIDINE, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE
著者Fischer, M, Fraser, J.S.
登録日2013-12-05
公開日2013-12-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
4NVF
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BU of 4nvf by Molmil
Predicting protein conformational response in prospective ligand discovery
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE
著者Fischer, M, Fraser, J.S.
登録日2013-12-05
公開日2013-12-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
4NVD
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BU of 4nvd by Molmil
Predicting protein conformational response in prospective ligand discovery.
分子名称: Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE, quinazolin-4-amine
著者Fischer, M, Fraser, J.S.
登録日2013-12-05
公開日2013-12-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
4OQ7
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BU of 4oq7 by Molmil
Predicting protein conformational response in prospective ligand discovery.
分子名称: Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE
著者Fischer, M, Fraser, J.S.
登録日2014-02-07
公開日2014-02-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
4OQI
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BU of 4oqi by Molmil
Crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying R164S/G238S mutations
分子名称: CALCIUM ION, SULFATE ION, TEM-94 ES-beta-lactamase
著者Dellus-Gur, E, Elias, M, Fraser, J.S, Tawfik, D.S.
登録日2014-02-09
公開日2015-05-20
最終更新日2018-01-17
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Negative Epistasis and Evolvability in TEM-1 beta-Lactamase--The Thin Line between an Enzyme's Conformational Freedom and Disorder.
J. Mol. Biol., 427, 2015
4OP8
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BU of 4op8 by Molmil
Room temperature crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying G238S mutation
分子名称: CALCIUM ION, SULFATE ION, TEM-94 ES-beta-lactamase, ...
著者Dellus-Gur, E, Elias, M, Fraser, J.S, Tawfik, D.S.
登録日2014-02-05
公開日2015-05-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Negative Epistasis and Evolvability in TEM-1 beta-Lactamase--The Thin Line between an Enzyme's Conformational Freedom and Disorder.
J. Mol. Biol., 427, 2015
4OBU
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BU of 4obu by Molmil
Ruminococcus gnavus tryptophan decarboxylase RUMGNA_01526 (apo)
分子名称: PYRIDOXAL-5'-PHOSPHATE, Pyridoxal-dependent decarboxylase domain protein
著者Van Benschoten, A.H, Fraser, J.S.
登録日2014-01-07
公開日2014-10-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.804 Å)
主引用文献Discovery and Characterization of Gut Microbiota Decarboxylases that Can Produce the Neurotransmitter Tryptamine.
Cell Host Microbe, 16, 2014
4PST
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BU of 4pst by Molmil
Multiconformer model for Escherichia coli dihydrofolate reductase at 277 K
分子名称: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
著者Keedy, D.A, van den Bedem, H, Sivak, D.A, Petsko, G.A, Ringe, D, Wilson, M.A, Fraser, J.S.
登録日2014-03-07
公開日2014-06-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Crystal Cryocooling Distorts Conformational Heterogeneity in a Model Michaelis Complex of DHFR.
Structure, 22, 2014
4PTJ
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BU of 4ptj by Molmil
Ensemble model for Escherichia coli dihydrofolate reductase at 277K
分子名称: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
著者Keedy, D.A, van den Bedem, H, Sivak, D.A, Petsko, G.A, Ringe, D, Wilson, M.A, Fraser, J.S.
登録日2014-03-10
公開日2014-05-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Crystal Cryocooling Distorts Conformational Heterogeneity in a Model Michaelis Complex of DHFR.
Structure, 22, 2014
4P3R
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BU of 4p3r by Molmil
Cryogenic WT DHFR, time-averaged ensemble
分子名称: Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Keedy, D.A, van den Bedem, H, Fraser, J.S.
登録日2014-03-10
公開日2014-05-14
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Crystal Cryocooling Distorts Conformational Heterogeneity in a Model Michaelis Complex of DHFR.
Structure, 22, 2014
4P3Q
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BU of 4p3q by Molmil
Room-temperature WT DHFR, time-averaged ensemble
分子名称: CALCIUM ION, Dihydrofolate reductase, FOLIC ACID, ...
著者Keedy, D.A, van den Bedem, H, Fraser, J.S.
登録日2014-03-10
公開日2014-05-14
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.351 Å)
主引用文献Crystal Cryocooling Distorts Conformational Heterogeneity in a Model Michaelis Complex of DHFR.
Structure, 22, 2014
4NVN
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BU of 4nvn by Molmil
Predicting protein conformational response in prospective ligand discovery
分子名称: 2,3-dihydrobenzo[h][1,6]naphthyridin-4(1H)-one, Cytochrome c peroxidase, PHOSPHATE ION, ...
著者Fischer, M, Fraser, J.S.
登録日2013-12-05
公開日2013-12-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
4NVB
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BU of 4nvb by Molmil
Predicting protein conformational response in prospective ligand discovery.
分子名称: 2-AMINO-5-METHYLTHIAZOLE, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE
著者Fischer, M, Fraser, J.S.
登録日2013-12-05
公開日2013-12-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
4NVM
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BU of 4nvm by Molmil
Predicting protein conformational response in prospective ligand discovery
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(1H-benzimidazol-1-yl)propanamide, Cytochrome c peroxidase, ...
著者Fischer, M, Fraser, J.S.
登録日2013-12-05
公開日2013-12-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
4OPY
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BU of 4opy by Molmil
Room temperature crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying R164S mutation
分子名称: CALCIUM ION, Extended spectrum beta-lactamase TEM-63, SULFATE ION, ...
著者Dellus-Gur, E, Elias, M, Fraser, J.S, Tawfik, D.S.
登録日2014-02-07
公開日2015-05-20
最終更新日2018-01-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Negative Epistasis and Evolvability in TEM-1 beta-Lactamase--The Thin Line between an Enzyme's Conformational Freedom and Disorder.
J. Mol. Biol., 427, 2015
4OP5
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BU of 4op5 by Molmil
Crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying R164S mutation
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Extended spectrum beta-lactamase TEM-63, ...
著者Dellus-Gur, E, Elias, M, Fraser, J.S, Tawfik, D.S.
登録日2014-02-05
公開日2015-05-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Negative Epistasis and Evolvability in TEM-1 beta-Lactamase--The Thin Line between an Enzyme's Conformational Freedom and Disorder.
J. Mol. Biol., 427, 2015
4OQH
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BU of 4oqh by Molmil
Crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying R164S mutation in complex with boron-based inhibitor EC25
分子名称: 1,2-ETHANEDIOL, 3-[(2R)-2-{[(2R)-2-amino-2-phenylacetyl]amino}-2-(dihydroxyboranyl)ethyl]benzoic acid, CALCIUM ION, ...
著者Dellus-Gur, E, Elias, M, Fraser, J.S, Tawfik, D.S.
登録日2014-02-09
公開日2015-05-20
最終更新日2018-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Negative Epistasis and Evolvability in TEM-1 beta-Lactamase--The Thin Line between an Enzyme's Conformational Freedom and Disorder.
J. Mol. Biol., 427, 2015

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