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5KV3
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BU of 5kv3 by Molmil
Human cyclophilin A at 278K, Data set 5
Descriptor: Peptidyl-prolyl cis-trans isomerase A
Authors:Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H.
Deposit date:2016-07-13
Release date:2016-08-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: Lysozyme C, SODIUM ION
Authors:Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H.
Deposit date:2016-07-20
Release date:2016-09-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Conformational variation of proteins at room temperature is not dominated by radiation damage.
J Synchrotron Radiat, 24, 2017
5KW5
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BU of 5kw5 by Molmil
T. danielli thaumatin at 278K, Data set 3
Descriptor: L(+)-TARTARIC ACID, Thaumatin-1
Authors:Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S.
Deposit date:2016-07-15
Release date:2016-08-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Conformational variation of proteins at room temperature is not dominated by radiation damage.
J Synchrotron Radiat, 24, 2017
5KXL
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BU of 5kxl by Molmil
Hen Egg White Lysozyme at 100K, Data set 2
Descriptor: ACETATE ION, CHLORIDE ION, Lysozyme C, ...
Authors:Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H.
Deposit date:2016-07-20
Release date:2016-09-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.198 Å)
Cite:Conformational variation of proteins at room temperature is not dominated by radiation damage.
J Synchrotron Radiat, 24, 2017
5KXS
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BU of 5kxs by Molmil
Hen Egg White Lysozyme at 278K, Data set 4
Descriptor: Lysozyme C, SODIUM ION
Authors:Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H.
Deposit date:2016-07-20
Release date:2016-09-07
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.2 Å)
Cite: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
Descriptor: Lysozyme C, SODIUM ION
Authors:Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H.
Deposit date:2016-07-20
Release date:2016-09-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.2 Å)
Cite: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
Descriptor: Peptidyl-prolyl cis-trans isomerase A
Authors:Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H.
Deposit date:2016-07-13
Release date:2016-08-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: Lysozyme C, SODIUM ION
Authors:Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H.
Deposit date:2016-07-20
Release date:2016-09-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.2 Å)
Cite: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
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome c peroxidase, PHOSPHATE ION, ...
Authors:Fischer, M, Fraser, J.S.
Deposit date:2013-12-05
Release date:2013-12-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.742 Å)
Cite:Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
4NVJ
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BU of 4nvj by Molmil
Predicting protein conformational response in prospective ligand discovery.
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Fischer, M, Fraser, J.S.
Deposit date:2013-12-05
Release date:2013-12-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.813 Å)
Cite: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
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Fischer, M, Fraser, J.S.
Deposit date:2013-12-05
Release date:2013-12-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.49 Å)
Cite: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.
Descriptor: Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE, quinazolin-4-amine
Authors:Fischer, M, Fraser, J.S.
Deposit date:2013-12-05
Release date:2013-12-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
4NVI
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BU of 4nvi by Molmil
Predicting protein conformational response in prospective ligand discovery.
Descriptor: 3-bromoquinolin-4-amine, Cytochrome c peroxidase, PHOSPHATE ION, ...
Authors:Fischer, M, Fraser, J.S.
Deposit date:2013-12-05
Release date:2013-12-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.51 Å)
Cite: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
Descriptor: BENZAMIDINE, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Fischer, M, Fraser, J.S.
Deposit date:2013-12-05
Release date:2013-12-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
4OBU
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BU of 4obu by Molmil
Ruminococcus gnavus tryptophan decarboxylase RUMGNA_01526 (apo)
Descriptor: PYRIDOXAL-5'-PHOSPHATE, Pyridoxal-dependent decarboxylase domain protein
Authors:Van Benschoten, A.H, Fraser, J.S.
Deposit date:2014-01-07
Release date:2014-10-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.804 Å)
Cite:Discovery and Characterization of Gut Microbiota Decarboxylases that Can Produce the Neurotransmitter Tryptamine.
Cell Host Microbe, 16, 2014
4NVB
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BU of 4nvb by Molmil
Predicting protein conformational response in prospective ligand discovery.
Descriptor: 2-AMINO-5-METHYLTHIAZOLE, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Fischer, M, Fraser, J.S.
Deposit date:2013-12-05
Release date:2013-12-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.17 Å)
Cite: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
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(1H-benzimidazol-1-yl)propanamide, Cytochrome c peroxidase, ...
Authors:Fischer, M, Fraser, J.S.
Deposit date:2013-12-05
Release date:2013-12-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
4NVN
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BU of 4nvn by Molmil
Predicting protein conformational response in prospective ligand discovery
Descriptor: 2,3-dihydrobenzo[h][1,6]naphthyridin-4(1H)-one, Cytochrome c peroxidase, PHOSPHATE ION, ...
Authors:Fischer, M, Fraser, J.S.
Deposit date:2013-12-05
Release date:2013-12-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
4NVE
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BU of 4nve by Molmil
Predicting protein conformational response in prospective ligand discovery
Descriptor: BENZIMIDAZOLE, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Fischer, M, Fraser, J.S.
Deposit date:2013-12-05
Release date:2013-12-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
4NVO
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BU of 4nvo by Molmil
Predicting protein conformational response in prospective ligand discovery
Descriptor: 3-(thiophen-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Fischer, M, Fraser, J.S.
Deposit date:2013-12-05
Release date:2013-12-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
4NX4
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BU of 4nx4 by Molmil
Re-refinement of CAP-1 HIV-CA complex
Descriptor: 1-(3-chloro-4-methylphenyl)-3-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)thio]ethyl}urea, CHLORIDE ION, Gag-Pol polyprotein, ...
Authors:Lang, P.T, Holton, J.M, Fraser, J.S, Alber, T.
Deposit date:2013-12-08
Release date:2014-02-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Protein structural ensembles are revealed by redefining X-ray electron density noise.
Proc.Natl.Acad.Sci.USA, 111, 2014
4NX7
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BU of 4nx7 by Molmil
single cryogenic temperature model of DHFR
Descriptor: BETA-MERCAPTOETHANOL, Dihydrofolate reductase, FOLIC ACID, ...
Authors:Fenwick, R.B, van den Bedem, H, Fraser, J.S, Wright, P.E.
Deposit date:2013-12-08
Release date:2014-01-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Integrated description of protein dynamics from room-temperature X-ray crystallography and NMR.
Proc.Natl.Acad.Sci.USA, 111, 2014
4P3R
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BU of 4p3r by Molmil
Cryogenic WT DHFR, time-averaged ensemble
Descriptor: Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Keedy, D.A, van den Bedem, H, Fraser, J.S.
Deposit date:2014-03-10
Release date:2014-05-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Crystal Cryocooling Distorts Conformational Heterogeneity in a Model Michaelis Complex of DHFR.
Structure, 22, 2014
4NVA
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BU of 4nva by Molmil
Predicting protein conformational response in prospective ligand discovery
Descriptor: Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Fischer, M, Fraser, J.S.
Deposit date:2013-12-05
Release date:2013-12-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
4NVL
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BU of 4nvl by Molmil
Predicting protein conformational response in prospective ligand discovery.
Descriptor: 1-(1H-benzimidazol-1-yl)propan-2-one, Cytochrome c peroxidase, PHOSPHATE ION, ...
Authors:Fischer, M, Fraser, J.S.
Deposit date:2013-12-05
Release date:2013-12-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.432 Å)
Cite:Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014

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