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1VBA
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BU of 1vba by Molmil
POLIOVIRUS (TYPE 3, SABIN STRAIN) (P3/SABIN, P3/LEON/12A(1)B) COMPLEXED WITH R78206
Descriptor: (METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE, MYRISTIC ACID, POLIOVIRUS TYPE 3
Authors:Grant, R.A, Hiremath, C.N, Filman, D.J, Syed, R, Andries, K, Hogle, J.M.
Deposit date:1996-01-02
Release date:1996-07-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structures of poliovirus complexes with anti-viral drugs: implications for viral stability and drug design.
Curr.Biol., 4, 1994
1VBB
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BU of 1vbb by Molmil
POLIOVIRUS (TYPE 3, SABIN STRAIN) (P3/SABIN, P3/LEON/12A(1)B) COMPLEXED WITH R80633
Descriptor: (METHYLPYRIDAZINE PIPERIDINE BUTYLOXYPHENYL)ETHYLACETATE, MYRISTIC ACID, POLIOVIRUS TYPE 3
Authors:Grant, R.A, Hiremath, C.N, Filman, D.J, Syed, R, Andries, K, Hogle, J.M.
Deposit date:1996-01-02
Release date:1996-07-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of poliovirus complexes with anti-viral drugs: implications for viral stability and drug design.
Curr.Biol., 4, 1994
1VBC
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BU of 1vbc by Molmil
POLIOVIRUS (TYPE 3, SABIN STRAIN) (P3/SABIN, P3/LEON/12A(1)B) COMPLEXED WITH R77975
Descriptor: (METHYLPYRIDAZINE PIPERIDINE ETHYLOXYPHENYL)ETHYLACETATE, MYRISTIC ACID, POLIOVIRUS TYPE 3
Authors:Grant, R.A, Hiremath, C.N, Filman, D.J, Syed, R, Andries, K, Hogle, J.M.
Deposit date:1996-01-02
Release date:1996-07-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of poliovirus complexes with anti-viral drugs: implications for viral stability and drug design.
Curr.Biol., 4, 1994
1VBD
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BU of 1vbd by Molmil
POLIOVIRUS (TYPE 1, MAHONEY STRAIN) COMPLEXED WITH R78206
Descriptor: (METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE, MYRISTIC ACID, POLIOVIRUS TYPE 1 MAHONEY
Authors:Grant, R.A, Hiremath, C.N, Filman, D.J, Syed, R, Andries, K, Hogle, J.M.
Deposit date:1996-01-02
Release date:1996-07-11
Last modified:2023-04-19
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structures of poliovirus complexes with anti-viral drugs: implications for viral stability and drug design.
Curr.Biol., 4, 1994
1VBE
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BU of 1vbe by Molmil
POLIOVIRUS (TYPE 3, SABIN STRAIN, MUTANT 242-H2) COMPLEXED WITH R78206
Descriptor: (METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE, MYRISTIC ACID, POLIOVIRUS TYPE 3
Authors:Grant, R.A, Hiremath, C.N, Filman, D.J, Syed, R, Andries, K, Hogle, J.M.
Deposit date:1996-01-02
Release date:1996-07-11
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of poliovirus complexes with anti-viral drugs: implications for viral stability and drug design.
Curr.Biol., 4, 1994
1DU0
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BU of 1du0 by Molmil
ENGRAILED HOMEODOMAIN Q50A VARIANT DNA COMPLEX
Descriptor: DNA (5'-D(*AP*TP*TP*AP*GP*GP*TP*AP*AP*TP*TP*AP*CP*AP*TP*GP*GP*CP*AP*AP*A)-3'), DNA (5'-D(*TP*TP*TP*TP*GP*CP*CP*AP*TP*GP*TP*AP*AP*TP*TP*AP*CP*CP*TP*AP*A)-3'), ENGRAILED HOMEODOMAIN
Authors:Grant, R.A, Rould, M.A, Klemm, J.D, Pabo, C.O.
Deposit date:2000-01-13
Release date:2000-07-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Exploring the role of glutamine 50 in the homeodomain-DNA interface: crystal structure of engrailed (Gln50 --> ala) complex at 2.0 A.
Biochemistry, 39, 2000
1DPS
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BU of 1dps by Molmil
THE CRYSTAL STRUCTURE OF DPS, A FERRITIN HOMOLOG THAT BINDS AND PROTECTS DNA
Descriptor: DPS, SODIUM ION
Authors:Grant, R.A, Filman, D.J, Finkel, S.E, Kolter, R, Hogle, J.M.
Deposit date:1998-02-23
Release date:1998-09-16
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The crystal structure of Dps, a ferritin homolog that binds and protects DNA.
Nat.Struct.Biol., 5, 1998
1TME
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BU of 1tme by Molmil
THREE-DIMENSIONAL STRUCTURE OF THEILER VIRUS
Descriptor: THEILER'S MURINE ENCEPHALOMYELITIS VIRUS (SUBUNIT VP1), THEILER'S MURINE ENCEPHALOMYELITIS VIRUS (SUBUNIT VP2), THEILER'S MURINE ENCEPHALOMYELITIS VIRUS (SUBUNIT VP3), ...
Authors:Grant, R.A, Filman, D.J, Hogle, J.M.
Deposit date:1992-01-30
Release date:1994-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Three-dimensional structure of Theiler virus.
Proc.Natl.Acad.Sci.USA, 89, 1992
3B8J
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BU of 3b8j by Molmil
Q191A mutant of DegS-deltaPDZ
Descriptor: Protease degS
Authors:Grant, R.A, Sohn, J, Sauer, R.T.
Deposit date:2007-11-01
Release date:2008-09-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.507 Å)
Cite:biochemical characterization of DegS-deltaPDZ q191A mutant
To be Published
6OTT
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BU of 6ott by Molmil
Structure of PurF in complex with ppApp
Descriptor: Amidophosphoribosyltransferase, PurF, MAGNESIUM ION, ...
Authors:Grant, R.A, Wang, B, Laub, M.T.
Deposit date:2019-05-03
Release date:2019-11-06
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:An interbacterial toxin inhibits target cell growth by synthesizing (p)ppApp.
Nature, 575, 2019
5JI3
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BU of 5ji3 by Molmil
HslUV complex
Descriptor: 2'-DEOXYADENOSINE-5'-DIPHOSPHATE, ATP-dependent protease ATPase subunit HslU, ATP-dependent protease subunit HslV
Authors:Grant, R.A, Sauer, R.T, Schmitz, K.R, Baytshtok, V.
Deposit date:2016-04-21
Release date:2016-12-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3 Å)
Cite:A Structurally Dynamic Region of the HslU Intermediate Domain Controls Protein Degradation and ATP Hydrolysis.
Structure, 24, 2016
5JI2
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BU of 5ji2 by Molmil
HslU L199Q in HslUV complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent protease ATPase subunit HslU, ATP-dependent protease subunit HslV, ...
Authors:Grant, R.A, Sauer, R.T, Schmitz, K.R, Baytshtok, V.
Deposit date:2016-04-21
Release date:2016-11-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.307 Å)
Cite:A Structurally Dynamic Region of the HslU Intermediate Domain Controls Protein Degradation and ATP Hydrolysis.
Structure, 24, 2016
6AX4
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BU of 6ax4 by Molmil
Plk-1 polo-box domain in complex with histidine N(tau)-cyclized Macrocycle 5b.
Descriptor: AMYLAMINE, Serine/threonine-protein kinase PLK1, histidine N(tau)-cyclized Macrocycle 5b
Authors:Grant, R.A, Hymel, D, Yaffe, M.B, Burke, T.R.
Deposit date:2017-09-06
Release date:2018-09-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Histidine N( tau )-cyclized macrocycles as a new genre of polo-like kinase 1 polo-box domain-binding inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
7MX1
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BU of 7mx1 by Molmil
PLK-1 polo-box domain in complex with a high affinity macrocycle synthesized using a novel glutamic acid analog
Descriptor: ACE-PRO-LEU-ALA-SER-TPO, N-[(4S)-4,5-diamino-5-oxopentyl]-10-phenyldecanamide, Serine/threonine-protein kinase PLK1
Authors:Grant, R.A, Hymel, D, Yaffe, M.B, Burke, T.R.
Deposit date:2021-05-17
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Design and synthesis of a new orthogonally protected glutamic acid analog and its use in the preparation of high affinity polo-like kinase 1 polo-box domain - binding peptide macrocycles.
Org.Biomol.Chem., 19, 2021
5TXV
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BU of 5txv by Molmil
HslU P21 cell with 4 hexamers
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent protease ATPase subunit HslU
Authors:Grant, R.A, Chen, J, Glynn, S.E, Sauer, R.T.
Deposit date:2016-11-17
Release date:2017-03-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (7.086 Å)
Cite:Covalently linked HslU hexamers support a probabilistic mechanism that links ATP hydrolysis to protein unfolding and translocation.
J. Biol. Chem., 292, 2017
1PO2
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BU of 1po2 by Molmil
POLIOVIRUS (TYPE 1, MAHONEY) IN COMPLEX WITH R77975, AN INHIBITOR OF VIRAL REPLICATION
Descriptor: (METHYLPYRIDAZINE PIPERIDINE ETHYLOXYPHENYL)ETHYLACETATE, MYRISTIC ACID, POLIOVIRUS TYPE 1 MAHONEY
Authors:Hiremath, C.N, Filman, D.J, Grant, R.A, Hogle, J.M.
Deposit date:1997-01-08
Release date:1997-12-03
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Ligand-induced conformational changes in poliovirus-antiviral drug complexes.
Acta Crystallogr.,Sect.D, 53, 1997
1PO1
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BU of 1po1 by Molmil
POLIOVIRUS (TYPE 1, MAHONEY) IN COMPLEX WITH R80633, AN INHIBITOR OF VIRAL REPLICATION
Descriptor: (METHYLPYRIDAZINE PIPERIDINE BUTYLOXYPHENYL)ETHYLACETATE, MYRISTIC ACID, POLIOVIRUS TYPE 1 MAHONEY
Authors:Hiremath, C.N, Filman, D.J, Grant, R.A, Hogle, J.M.
Deposit date:1997-01-08
Release date:1997-12-03
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Ligand-induced conformational changes in poliovirus-antiviral drug complexes.
Acta Crystallogr.,Sect.D, 53, 1997
1G2D
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BU of 1g2d by Molmil
STRUCTURE OF A CYS2HIS2 ZINC FINGER/TATA BOX COMPLEX (CLONE #2)
Descriptor: 5'-D(*GP*AP*CP*GP*CP*TP*AP*TP*AP*AP*AP*AP*GP*GP*AP*G)-3', 5'-D(*TP*CP*CP*TP*TP*TP*TP*AP*TP*AP*GP*CP*GP*TP*CP*C)-3', TATA BOX ZINC FINGER PROTEIN, ...
Authors:Wolfe, S.A, Grant, R.A, Elrod-Erickson, M, Pabo, C.O.
Deposit date:2000-10-18
Release date:2001-09-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Beyond the "recognition code": structures of two Cys2His2 zinc finger/TATA box complexes.
Structure, 9, 2001
1YWT
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BU of 1ywt by Molmil
Crystal structure of the human sigma isoform of 14-3-3 in complex with a mode-1 phosphopeptide
Descriptor: 14-3-3 protein sigma, CALCIUM ION, synthetic optimal phosphopeptide (mode-1)
Authors:Wilker, E.W, Grant, R.A, Artim, S.C, Yaffe, M.B.
Deposit date:2005-02-18
Release date:2005-03-01
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A structural basis for 14-3-3sigma functional specificity.
J.Biol.Chem., 280, 2005
1ZSZ
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BU of 1zsz by Molmil
Crystal structure of a computationally designed SspB heterodimer
Descriptor: MAGNESIUM ION, Stringent starvation protein B homolog
Authors:Bolon, D.N, Grant, R.A, Baker, T.A, Sauer, R.T.
Deposit date:2005-05-25
Release date:2005-08-23
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Specificity versus stability in computational protein design.
Proc.Natl.Acad.Sci.Usa, 102, 2005
1PIV
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BU of 1piv by Molmil
BINDING OF THE ANTIVIRAL DRUG WIN51711 TO THE SABIN STRAIN OF TYPE 3 POLIOVIRUS: STRUCTURAL COMPARISON WITH DRUG BINDING IN RHINOVIRUS 14
Descriptor: 5-(7-(4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)HEPTYL)-3-METHYL ISOXAZOLE, MYRISTIC ACID, POLIOVIRUS TYPE 3 (SUBUNIT VP1), ...
Authors:Hiremath, C.N, Grant, R.A, Filman, D.J, Hogle, J.M.
Deposit date:1995-02-02
Release date:1995-06-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Binding of the antiviral drug WIN51711 to the sabin strain of type 3 poliovirus: structural comparison with drug binding in rhinovirus 14.
Acta Crystallogr.,Sect.D, 51, 1995
1F2I
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BU of 1f2i by Molmil
COCRYSTAL STRUCTURE OF SELECTED ZINC FINGER DIMER BOUND TO DNA
Descriptor: 5'-D(*AP*TP*GP*GP*GP*CP*GP*CP*GP*CP*CP*CP*AP*T)-3', FUSION OF N-TERMINAL 17-MER PEPTIDE EXTENSION TO ZIF12, ZINC ION
Authors:Wang, B.S, Grant, R.A, Pabo, C.O.
Deposit date:2000-05-25
Release date:2001-09-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Selected peptide extension contacts hydrophobic patch on neighboring zinc finger and mediates dimerization on DNA.
Nat.Struct.Biol., 8, 2001
1G2F
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BU of 1g2f by Molmil
STRUCTURE OF A CYS2HIS2 ZINC FINGER/TATA BOX COMPLEX (TATAZF;CLONE #6)
Descriptor: 5'-D(*GP*AP*CP*GP*CP*TP*AP*TP*AP*AP*AP*AP*GP*GP*AP*G)-3', 5'-D(*TP*CP*CP*TP*TP*TP*TP*AP*TP*AP*GP*CP*GP*TP*CP*C)-3', TATA BOX ZINC FINGER PROTEIN, ...
Authors:Wolfe, S.A, Grant, R.A, Elrod-Erickson, M, Pabo, C.O.
Deposit date:2000-10-18
Release date:2001-09-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Beyond the "recognition code": structures of two Cys2His2 zinc finger/TATA box complexes.
Structure, 9, 2001
1U9P
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BU of 1u9p by Molmil
Permuted single-chain Arc
Descriptor: pArc
Authors:Tabtiang, R.K, Cezairliyan, B.O, Grant, R.A, Cochrane, J.C, Sauer, R.T.
Deposit date:2004-08-10
Release date:2005-02-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Consolidating critical binding determinants by noncyclic rearrangement of protein secondary structure
Proc.Natl.Acad.Sci.Usa, 102, 2005
1TWB
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BU of 1twb by Molmil
SspB disulfide crosslinked to an ssrA degradation tag
Descriptor: Stringent starvation protein B homolog, ssrA peptide
Authors:Bolon, D.N, Grant, R.A, Baker, T.A, Sauer, R.T.
Deposit date:2004-06-30
Release date:2004-11-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Nucleotide-Dependent Substrate Handoff from the SspB Adaptor to the AAA+ ClpXP Protease.
Mol.Cell, 16, 2004

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