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6US0
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BU of 6us0 by Molmil
Barrier-to-autointegration factor soaked in R,S,R-bisfuranol (RSR): 1 of 14 in MSCS set
Descriptor: Barrier-to-autointegration factor, ETHANOL
Authors:Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C.
Deposit date:2019-10-24
Release date:2020-10-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.653 Å)
Cite:Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor.
Acta Crystallogr D Struct Biol, 76, 2020
4DLU
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BU of 4dlu by Molmil
H-Ras Set 1 Ca(OAc)2, on
Descriptor: ACETATE ION, CALCIUM ION, GTPase HRas, ...
Authors:Holzapfel, G, Mattos, C.
Deposit date:2012-02-06
Release date:2012-08-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Shift in the Equilibrium between On and Off States of the Allosteric Switch in Ras-GppNHp Affected by Small Molecules and Bulk Solvent Composition.
Biochemistry, 51, 2012
4DLS
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BU of 4dls by Molmil
H-Ras Set 1 CaCl2 'Mixed'
Descriptor: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
Authors:Holzapfel, G, Mattos, C.
Deposit date:2012-02-06
Release date:2012-08-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.819 Å)
Cite:Shift in the Equilibrium between On and Off States of the Allosteric Switch in Ras-GppNHp Affected by Small Molecules and Bulk Solvent Composition.
Biochemistry, 51, 2012
4DLZ
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BU of 4dlz by Molmil
H-Ras Set 2 Ca(OAc)2/DTE, ordered off
Descriptor: (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, CALCIUM ION, GTPase HRas, ...
Authors:Holzapfel, G, Mattos, C.
Deposit date:2012-02-06
Release date:2012-08-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.662 Å)
Cite:Shift in the Equilibrium between On and Off States of the Allosteric Switch in Ras-GppNHp Affected by Small Molecules and Bulk Solvent Composition.
Biochemistry, 51, 2012
4DLR
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BU of 4dlr by Molmil
H-Ras PEG 400/Ca(OAc)2, ordered off
Descriptor: (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, CALCIUM ION, GTPase HRas, ...
Authors:Holzapfel, G, Mattos, C.
Deposit date:2012-02-06
Release date:2012-08-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.319 Å)
Cite:Shift in the Equilibrium between On and Off States of the Allosteric Switch in Ras-GppNHp Affected by Small Molecules and Bulk Solvent Composition.
Biochemistry, 51, 2012
4DLY
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BU of 4dly by Molmil
Set 1 CaCl2/DTT, ordered off
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CALCIUM ION, GTPase HRas, ...
Authors:Holzapfel, G, Mattos, C.
Deposit date:2012-02-06
Release date:2012-08-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Shift in the Equilibrium between On and Off States of the Allosteric Switch in Ras-GppNHp Affected by Small Molecules and Bulk Solvent Composition.
Biochemistry, 51, 2012
4DLV
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BU of 4dlv by Molmil
H-Ras Set 2 CaCl2/DTT, ordered off
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CALCIUM ION, GTPase HRas, ...
Authors:Holzapfel, G, Mattos, C.
Deposit date:2012-02-06
Release date:2012-08-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.572 Å)
Cite:Shift in the Equilibrium between On and Off States of the Allosteric Switch in Ras-GppNHp Affected by Small Molecules and Bulk Solvent Composition.
Biochemistry, 51, 2012
4DLX
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BU of 4dlx by Molmil
H-Ras Set 1 CaCl2/DTE, ordered off
Descriptor: (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, CALCIUM ION, GTPase HRas, ...
Authors:Holzapfel, G, Mattos, C.
Deposit date:2012-02-06
Release date:2012-08-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.731 Å)
Cite:Shift in the Equilibrium between On and Off States of the Allosteric Switch in Ras-GppNHp Affected by Small Molecules and Bulk Solvent Composition.
Biochemistry, 51, 2012
4DLT
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BU of 4dlt by Molmil
H-Ras Set 2 Ca(OAc)2, on
Descriptor: ACETATE ION, CALCIUM ION, GTPase HRas, ...
Authors:Holzapfel, G, Mattos, C.
Deposit date:2012-02-06
Release date:2012-08-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.699 Å)
Cite:Shift in the Equilibrium between On and Off States of the Allosteric Switch in Ras-GppNHp Affected by Small Molecules and Bulk Solvent Composition.
Biochemistry, 51, 2012
4DLW
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BU of 4dlw by Molmil
H-Ras Set 2 Ca(OAc)2/DTT, on
Descriptor: ACETATE ION, CALCIUM ION, GTPase HRas, ...
Authors:Holzapfel, G, Mattos, C.
Deposit date:2012-02-06
Release date:2012-08-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Shift in the Equilibrium between On and Off States of the Allosteric Switch in Ras-GppNHp Affected by Small Molecules and Bulk Solvent Composition.
Biochemistry, 51, 2012
4EHA
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BU of 4eha by Molmil
Allosteric Modulation of Caspase-3 through Mutagenesis
Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3
Authors:Walters, J, Schipper, J.L, Swartz, P.D, Mattos, C, Clark, A.C.
Deposit date:2012-04-02
Release date:2012-06-06
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.696 Å)
Cite:Allosteric modulation of caspase 3 through mutagenesis.
Biosci.Rep., 32, 2012
4EHH
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BU of 4ehh by Molmil
Allosteric Modulation of Caspase-3 through Mutagenesis
Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3
Authors:Walters, J, Schipper, J.L, Swartz, P.D, Mattos, C, Clark, A.C.
Deposit date:2012-04-02
Release date:2012-06-06
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Allosteric modulation of caspase 3 through mutagenesis.
Biosci.Rep., 32, 2012
3PCX
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BU of 3pcx by Molmil
Caspase-3 E246A, K242A Double Mutant
Descriptor: Caspase-3, Inhibitor Ac-DEVD-CMK
Authors:Walters, J, Swartz, P, Mattos, C, Clark, A.C.
Deposit date:2010-10-22
Release date:2011-02-23
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Thermodynamic, enzymatic and structural effects of removing a salt bridge at the base of loop 4 in (pro)caspase-3.
Arch.Biochem.Biophys., 508, 2011
3PD1
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BU of 3pd1 by Molmil
Caspase-3 K242A
Descriptor: Caspase-3, Inhibitor Ac-DEVD-CMK
Authors:Walters, J, Swartz, P, Mattos, C, Clark, A.C.
Deposit date:2010-10-22
Release date:2011-02-23
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Thermodynamic, enzymatic and structural effects of removing a salt bridge at the base of loop 4 in (pro)caspase-3.
Arch.Biochem.Biophys., 508, 2011
3PD0
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BU of 3pd0 by Molmil
Caspase-3 E246A
Descriptor: CHLORIDE ION, Caspase-3, INHIBITOR AC-DEVD-CMK
Authors:Walters, J, Swartz, P, Mattos, C, Clark, A.C.
Deposit date:2010-10-22
Release date:2011-02-16
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2 Å)
Cite:Thermodynamic, enzymatic and structural effects of removing a salt bridge at the base of loop 4 in (pro)caspase-3.
Arch.Biochem.Biophys., 508, 2011
3OIU
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BU of 3oiu by Molmil
H-RasQ61L with allosteric switch in the "on" state
Descriptor: ACETATE ION, CALCIUM ION, GTPase HRas, ...
Authors:Buhrman, G, Mattos, C.
Deposit date:2010-08-20
Release date:2010-12-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Allosteric Modulation of Ras-GTP Is Linked to Signal Transduction through RAF Kinase.
J.Biol.Chem., 286, 2011
3OIV
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BU of 3oiv by Molmil
H-RasG12V with allosteric switch in the "off" state
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CALCIUM ION, GTPase HRas, ...
Authors:Buhrman, G, Mattos, C.
Deposit date:2010-08-20
Release date:2010-12-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.837 Å)
Cite:Allosteric Modulation of Ras-GTP Is Linked to Signal Transduction through RAF Kinase.
J.Biol.Chem., 286, 2011
4EEF
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BU of 4eef by Molmil
Crystal structure of the designed inhibitor protein F-HB80.4 in complex with the 1918 influenza virus hemagglutinin.
Descriptor: F-HB80.4, DESIGNED HEMAGGLUTININ BINDING PROTEIN, Hemagglutinin HA1 chain, ...
Authors:Dreyfus, C, Wilson, I.A.
Deposit date:2012-03-28
Release date:2012-06-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.704 Å)
Cite:Optimization of affinity, specificity and function of designed influenza inhibitors using deep sequencing.
Nat.Biotechnol., 30, 2012
1BMA
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BU of 1bma by Molmil
BENZYL METHYL AMINIMIDE INHIBITOR COMPLEXED TO PORCINE PANCREATIC ELASTASE
Descriptor: (1R)-1-benzyl-1-methyl-1-(2-{[4-(1-methylethyl)phenyl]amino}-2-oxoethyl)-2-{(2S)-4-methyl-2-[(trifluoroacetyl)amino]pentanoyl}diazanium, CALCIUM ION, Chymotrypsin-like elastase family member 1, ...
Authors:Peisach, E, Casebier, D, Gallion, S.L, Furth, P, Petsko, G.A, Hogan Jr, J.C, Ringe, D.
Deposit date:1995-05-01
Release date:1995-12-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Interaction of a peptidomimetic aminimide inhibitor with elastase.
Science, 269, 1995
3O85
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BU of 3o85 by Molmil
Giardia lamblia 15.5kD RNA binding protein
Descriptor: Ribosomal protein L7Ae
Authors:Biswas, S, Maxwell, E.S.
Deposit date:2010-08-02
Release date:2011-03-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.806 Å)
Cite:Comparative analysis of the 15.5kD box C/D snoRNP core protein in the primitive eukaryote Giardia lamblia reveals unique structural and functional features.
Biochemistry, 50, 2011
7JII
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BU of 7jii by Molmil
HRAS A59E GDP
Descriptor: CALCIUM ION, GTPase HRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Johnson, C.W, Haigis, K.M.
Deposit date:2020-07-23
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.532 Å)
Cite:Regulation of GTPase function by autophosphorylation.
Mol.Cell, 82, 2022
7JIF
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BU of 7jif by Molmil
HRAS A59T GppNHp
Descriptor: GLYCEROL, GTPase HRas, MAGNESIUM ION, ...
Authors:Johnson, C.W, Haigis, K.M.
Deposit date:2020-07-23
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.757 Å)
Cite:Regulation of GTPase function by autophosphorylation.
Mol.Cell, 82, 2022
7JIG
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BU of 7jig by Molmil
HRAS A59T GppNHp crystal 2
Descriptor: GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
Authors:Johnson, C.W, Haigis, K.M.
Deposit date:2020-07-23
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.322 Å)
Cite:Regulation of GTPase function by autophosphorylation.
Mol.Cell, 82, 2022
7JIH
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BU of 7jih by Molmil
HRAS A59E GppNHp
Descriptor: GLYCEROL, GTPase HRas, MAGNESIUM ION, ...
Authors:Johnson, C.W, Haigis, K.M.
Deposit date:2020-07-23
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.989 Å)
Cite:Regulation of GTPase function by autophosphorylation.
Mol.Cell, 82, 2022
7KMR
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BU of 7kmr by Molmil
Crystal structure analysis of human KRAS mutant
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2020-11-03
Release date:2021-11-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Regulation of GTPase function by autophosphorylation.
Mol.Cell, 82, 2022

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