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1CLD
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BU of 1cld by Molmil
DNA-binding protein
Descriptor: CADMIUM ION, CD2-LAC9
Authors:Gardner, K.H, Coleman, J.E.
Deposit date:1995-06-06
Release date:1995-09-15
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:Solution structure of the Kluyveromyces lactis LAC9 Cd2 Cys6 DNA-binding domain.
Nat.Struct.Biol., 2, 1995
4EQ1
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BU of 4eq1 by Molmil
Crystal Structure of the ARNT PAS-B homodimer
Descriptor: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Aryl hydrocarbon receptor nuclear translocator
Authors:Gardner, K.H, Key, J.M.
Deposit date:2012-04-17
Release date:2013-04-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Regulating the ARNT/TACC3 Axis: Multiple Approaches to Manipulating Protein/Protein Interactions with Small Molecules.
Acs Chem.Biol., 8, 2013
4R3A
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BU of 4r3a by Molmil
Erythrobacter litoralis EL346 blue-light activated histidine kinase
Descriptor: Blue-light-activated histidine kinase 2, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Tomchick, D.R, Rivera-Cancel, G, Gardner, K.H.
Deposit date:2014-08-14
Release date:2014-12-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:Full-length structure of a monomeric histidine kinase reveals basis for sensory regulation.
Proc.Natl.Acad.Sci.USA, 111, 2014
1X0O
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BU of 1x0o by Molmil
human ARNT C-terminal PAS domain
Descriptor: Aryl hydrocarbon receptor nuclear translocator
Authors:Card, P.B, Erbel, P.J, Gardner, K.H.
Deposit date:2005-03-25
Release date:2005-10-25
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Structural Basis of ARNT PAS-B Dimerization: Use of a Common Beta-sheet Interface for Hetero- and Homodimerization.
J.Mol.Biol., 353, 2005
1YMZ
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BU of 1ymz by Molmil
CC45, An Artificial WW Domain Designed Using Statistical Coupling Analysis
Descriptor: CC45
Authors:Socolich, M, Lockless, S.W, Russ, W.P, Lee, H, Gardner, K.H, Ranganathan, R.
Deposit date:2005-01-22
Release date:2005-09-27
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Evolutionary information for specifying a protein fold.
Nature, 437, 2005
2N9U
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BU of 2n9u by Molmil
Solution NMR structure of Erythrobacter litoralis PhyR response regulator REC domain
Descriptor: Response regulator
Authors:Correa, F, Gardner, K.H.
Deposit date:2015-12-09
Release date:2016-09-07
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Basis of Mutual Domain Inhibition in a Bacterial Response Regulator.
Cell Chem Biol, 23, 2016
2VLG
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BU of 2vlg by Molmil
KinA PAS-A domain, homodimer
Descriptor: ACETATE ION, CHLORIDE ION, SPORULATION KINASE A
Authors:Lee, J, Tomchick, D.R, Brautigam, C.A, Machius, M, Kort, R, Hellingwerf, K.J, Gardner, K.H.
Deposit date:2008-01-14
Release date:2008-03-18
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Changes at the Kina Pas-A Dimerization Interface Influence Histidine Kinase Function.
Biochemistry, 47, 2008
4GHI
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BU of 4ghi by Molmil
Crystal structure of the high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains in complex with a benzoxadiazole antagonist
Descriptor: Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1, N-(3-chloro-5-fluorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Authors:Scheuermann, T.H, Key, J, Tambar, U.K, Bruick, R.K, Gardner, K.H.
Deposit date:2012-08-07
Release date:2013-02-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Allosteric inhibition of hypoxia inducible factor-2 with small molecules.
Nat.Chem.Biol., 9, 2013
4GS9
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BU of 4gs9 by Molmil
Crystal structure of the high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains in complex with an inactive benzoxadiazole antagonist
Descriptor: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1, ...
Authors:Scheuermann, T.H, Gardner, K.H.
Deposit date:2012-08-27
Release date:2013-04-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Development of Inhibitors of the PAS-B Domain of the HIF-2 alpha Transcription Factor
J.Med.Chem., 56, 2013
170D
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BU of 170d by Molmil
SOLUTION STRUCTURE OF A DNA DODECAMER CONTAINING THE ANTI-NEOPLASTIC AGENT ARABINOSYLCYTOSINE: COMBINED USE OF NMR, RESTRAINED MOLECULAR DYNAMICS AND FULL RELAXATION MATRIX REFINEMENT
Descriptor: DNA/RNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*T)-R(P*CAR)-D(P*GP*CP*G)-3')
Authors:Schweitzer, B.I, Mikita, T, Kellogg, G.W, Gardner, K.H, Beardsley, G.P.
Deposit date:1994-03-14
Release date:1994-07-31
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:Solution structure of a DNA dodecamer containing the anti-neoplastic agent arabinosylcytosine: combined use of NMR, restrained molecular dynamics, and full relaxation matrix refinement.
Biochemistry, 33, 1994
171D
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BU of 171d by Molmil
SOLUTION STRUCTURE OF A DNA DODECAMER CONTAINING THE ANTI-NEOPLASTIC AGENT ARABINOSYLCYTOSINE: COMBINED USE OF NMR, RESTRAINED MOLECULAR DYNAMICS AND FULL RELAXATION MATRIX REFINEMENT
Descriptor: DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3')
Authors:Schweitzer, B.I, Mikita, T, Kellogg, G.W, Gardner, K.H, Beardsley, G.P.
Deposit date:1994-03-14
Release date:1994-07-31
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:Solution structure of a DNA dodecamer containing the anti-neoplastic agent arabinosylcytosine: combined use of NMR, restrained molecular dynamics, and full relaxation matrix refinement.
Biochemistry, 33, 1994
2K7S
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BU of 2k7s by Molmil
Human ARNT C-Terminal PAS Domain, 3 Residue IB slip
Descriptor: Aryl hydrocarbon receptor nuclear translocator
Authors:Evans, M.R, Card, P.B, Gardner, K.H.
Deposit date:2008-08-20
Release date:2009-01-20
Last modified:2021-10-20
Method:SOLUTION NMR
Cite:ARNT PAS-B has a fragile native state structure with an alternative beta-sheet register nearby in sequence space
Proc.Natl.Acad.Sci.USA, 106, 2009
3H82
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BU of 3h82 by Molmil
Crystal structure of the high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains with the artificial ligand THS020
Descriptor: Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1, N-(furan-2-ylmethyl)-2-nitro-4-(trifluoromethyl)aniline
Authors:Key, J.M, Scheuermann, T.H, Anderson, P.C, Daggett, V, Gardner, K.H.
Deposit date:2009-04-28
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Principles of ligand binding within a completely buried cavity in HIF2alpha PAS-B
J.Am.Chem.Soc., 131, 2009
3H7W
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BU of 3h7w by Molmil
Crystal structure of the high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains with the artificial ligand THS017
Descriptor: 2-nitro-N-(thiophen-3-ylmethyl)-4-(trifluoromethyl)aniline, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1
Authors:Key, J.M, Scheuermann, T.H, Anderson, P.C, Daggett, V, Gardner, K.H.
Deposit date:2009-04-28
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Principles of ligand binding within a completely buried cavity in HIF2alpha PAS-B
J.Am.Chem.Soc., 131, 2009
8G4A
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BU of 8g4a by Molmil
Human ARNT PAS-B complexed with KG-548 small molecule
Descriptor: 5-[3,5-bis(trifluoromethyl)phenyl]-2H-tetrazole, Aryl hydrocarbon receptor nuclear translocator
Authors:Xu, X, Isiorho, E.A, Pimentel Marcelino, L, Gardner, K.H.
Deposit date:2023-02-08
Release date:2024-02-14
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Use of High Pressure NMR Spectroscopy to Rapidly Identify Proteins with Internal Ligand-Binding Voids
To Be Published
2A24
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BU of 2a24 by Molmil
HADDOCK Structure of HIF-2a/ARNT PAS-B Heterodimer
Descriptor: Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain protein 1
Authors:Card, P.B, Erbel, P.J, Gardner, K.H.
Deposit date:2005-06-21
Release date:2006-01-17
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:Structural basis of ARNT PAS-B dimerization: use of a common beta-sheet interface for hetero- and homodimerization.
J.Mol.Biol., 353, 2005
2BYC
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BU of 2byc by Molmil
BlrB - a BLUF protein, dark state structure
Descriptor: BLUE-LIGHT RECEPTOR OF THE BLUF-FAMILY, FLAVIN MONONUCLEOTIDE
Authors:Jung, A, Domratcheva, T, Tarutina, M, Wu, Q, Ko, W.H, Shoeman, R.L, Gomelsky, M, Gardner, K.H, Schlichting, I.
Deposit date:2005-07-29
Release date:2005-08-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of a Bacterial Bluf Photoreceptor: Insights Into Blue Light-Mediated Signal Transduction.
Proc.Natl.Acad.Sci.USA, 102, 2005
2F9S
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BU of 2f9s by Molmil
2nd Crystal Structure Of A Soluble Domain Of ResA In The Oxidised Form
Descriptor: Thiol-disulfide oxidoreductase resA
Authors:Colbert, C.L, Wu, Q, Erbel, P.J.A, Gardner, K.H, Deisenhofer, J.
Deposit date:2005-12-06
Release date:2006-04-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.401 Å)
Cite:Mechanism of substrate specificity in Bacillus subtilis ResA, a thioredoxin-like protein involved in cytochrome c maturation
Proc.Natl.Acad.Sci.USA, 103, 2006
4XT2
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BU of 4xt2 by Molmil
Crystal structure of the high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains in complex with a tetrazole-containing antagonist
Descriptor: (5S,7R)-5,7-bis(3-bromophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1
Authors:Scheuermann, T.H, Gardner, K.H.
Deposit date:2015-01-22
Release date:2015-12-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.698 Å)
Cite:Isoform-Selective and Stereoselective Inhibition of Hypoxia Inducible Factor-2.
J.Med.Chem., 58, 2015
5KIZ
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BU of 5kiz by Molmil
Solution Structure of a repacked version of HIF-2 alpha PAS-B
Descriptor: Endothelial PAS domain-containing protein 1
Authors:Correa, F, Key, J, Kuhlman, B, Gardner, K.H.
Deposit date:2016-06-17
Release date:2016-08-17
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Computational Repacking of HIF-2 alpha Cavity Replaces Water-Based Stabilized Core.
Structure, 24, 2016
3F1P
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BU of 3f1p by Molmil
Crystal structure of a high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains
Descriptor: Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1
Authors:Scheuermann, T.H, Tomchick, D.R, Machius, M, Guo, Y, Bruick, R.K, Gardner, K.H.
Deposit date:2008-10-28
Release date:2009-01-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Artificial ligand binding within the HIF2alpha PAS-B domain of the HIF2 transcription factor.
Proc.Natl.Acad.Sci.USA, 106, 2009
3F1O
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BU of 3f1o by Molmil
Crystal structure of the high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains, with an internally-bound artificial ligand
Descriptor: 1,2-ETHANEDIOL, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1, ...
Authors:Scheuermann, T.H, Tomchick, D.R, Machius, M, Guo, Y, Bruick, R.K, Gardner, K.H.
Deposit date:2008-10-28
Release date:2009-01-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.598 Å)
Cite:Artificial ligand binding within the HIF2alpha PAS-B domain of the HIF2 transcription factor.
Proc.Natl.Acad.Sci.USA, 106, 2009
3F1N
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BU of 3f1n by Molmil
Crystal structure of a high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains, with internally bound ethylene glycol.
Descriptor: 1,2-ETHANEDIOL, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1
Authors:Scheuermann, T.H, Tomchick, D.R, Machius, M, Guo, Y, Bruick, R.K, Gardner, K.H.
Deposit date:2008-10-28
Release date:2009-01-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.479 Å)
Cite:Artificial ligand binding within the HIF2alpha PAS-B domain of the HIF2 transcription factor.
Proc.Natl.Acad.Sci.USA, 106, 2009
3P4K
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BU of 3p4k by Molmil
The third conformation of p38a MAP kinase observed in phosphorylated p38a and in solution
Descriptor: MAP kinase 14, Mitogen-activated protein kinase 14
Authors:Akella, R, Min, X, Wu, Q, Gardner, K.H, Goldsmith, E.J.
Deposit date:2010-10-06
Release date:2011-01-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.304 Å)
Cite:The third conformation of p38a MAP kinase observed in phosphorylated p38a and in solution
Structure, 18, 2010
2HV1
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BU of 2hv1 by Molmil
HADDOCK structure of ARNT PAS-B Homodimer
Descriptor: Aryl hydrocarbon receptor nuclear translocator
Authors:Card, P.B, Gardner, K.H.
Deposit date:2006-07-27
Release date:2007-08-07
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:Practical aspects of using paramagnetic relaxation enhancements for protein docking: Application to the ARNT PAS-B homodimer
To be Published

 

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