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4S2Q
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BU of 4s2q by Molmil
Crystal Structure of HMG domain of the chondrogenesis master regulator, Sox9 in complex with ChIP-Seq identified DNA element
Descriptor: DNA (5'-D(P*AP*GP*GP*AP*GP*AP*AP*CP*AP*AP*AP*GP*CP*CP*TP*G)-3'), DNA (5'-D(P*AP*GP*GP*CP*TP*TP*TP*GP*TP*TP*CP*TP*CP*CP*TP*G)-3'), Transcription factor SOX-9
Authors:Vivekanandan, S, Moovarkumudalvan, B, Lescar, J, Kolatkar, P.R.
Deposit date:2015-01-21
Release date:2016-02-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure of HMG domain of the chondrogenesis master regulator, Sox9 in complex with ChIP-Seq identified DNA element
To be Published
2LFM
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BU of 2lfm by Molmil
A partially folded structure of amyloid-beta(1 40) in an aqueous environment
Descriptor: Beta-amyloid protein 40
Authors:Vivekanandan, S, Brender, J.R, Lee, S.Y, Ramamoorthy, A.
Deposit date:2011-07-06
Release date:2011-07-20
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:A partially folded structure of amyloid-beta(1-40) in an aqueous environment.
Biochem.Biophys.Res.Commun., 411, 2011
2JQP
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BU of 2jqp by Molmil
NMR structure determination of Bungatoxin from Bungarus candidus (Malayan Krait)
Descriptor: Weak toxin 1
Authors:Vivekanandan, S, Jois, S.D, Kini, R.M, Troncone, L.R.P, de Magalhaes, L, Ujikawa, G.Y, Ramos, A.T.
Deposit date:2007-06-06
Release date:2007-06-19
Last modified:2023-12-20
Method:SOLUTION NMR
Cite:NMR solution Structure of Bungatoxin from Bungarus Candidus (Malayan Krait)venom
To be Published
8SHI
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BU of 8shi by Molmil
Valpha3S1 Vbeta13S1 HLA C 0602 VRSRRCLRL
Descriptor: Beta-2-microglobulin, MHC class I antigen (Fragment), T cell receptor alpha, ...
Authors:Littler, D.R, Anand, S, Vivian, J.P, Rossjohn, J.
Deposit date:2023-04-14
Release date:2023-06-28
Last modified:2023-07-26
Method:X-RAY DIFFRACTION (2.90001726 Å)
Cite:Complimentary electrostatics dominate T-cell receptor binding to a psoriasis-associated peptide antigen presented by human leukocyte antigen C∗06:02.
J.Biol.Chem., 299, 2023
2JR3
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BU of 2jr3 by Molmil
Antibacterial Peptide from Eggshell Matrix: Structure and Self-assembly of beta-defensin Like Peptide from the Chinese Soft-shelled Turtle Eggshell
Descriptor: Pelovaterin
Authors:Vivekanandan, S, Lakshminarayanan, R, Jois, S.D.S, Perumal Samy, R, Banerjee, Y, Chi-Jin, E.O, Teo, K.W, Kini, R.M, Valiyaveettil, S.
Deposit date:2007-06-20
Release date:2008-05-27
Last modified:2023-12-20
Method:SOLUTION NMR
Cite:Structure, self-assembly, and dual role of a beta-defensin-like peptide from the Chinese soft-shelled turtle eggshell matrix.
J.Am.Chem.Soc., 130, 2008
1N0W
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BU of 1n0w by Molmil
Crystal structure of a RAD51-BRCA2 BRC repeat complex
Descriptor: 1,2-ETHANEDIOL, ARTIFICIAL GLY-SER-MSE-GLY PEPTIDE, Breast cancer type 2 susceptibility protein, ...
Authors:Pellegrini, L, Yu, D.S, Lo, T, Anand, S, Lee, M, Blundell, T.L, Venkitaraman, A.R.
Deposit date:2002-10-15
Release date:2002-11-27
Last modified:2020-01-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Insights into DNA recombination from the structure of a RAD51-BRCA2 complex
Nature, 420, 2002
2KHK
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BU of 2khk by Molmil
NMR solution structure of the b30-82 domain of subunit b of Escherichia coli F1FO ATP synthase
Descriptor: ATP synthase subunit b
Authors:Priya, R, Biukovic, G, Gayen, S, Vivekanandan, S, Gruber, G.
Deposit date:2009-04-08
Release date:2009-12-15
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structure, determined by nuclear magnetic resonance, of the b30-82 domain of subunit b of Escherichia coli F1Fo ATP synthase
J.Bacteriol., 191, 2009
2L3H
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BU of 2l3h by Molmil
NMR Structure in a Membrane Environment Reveals Putative Amyloidogenic Regions of the SEVI Precursor Peptide PAP248-286
Descriptor: Prostatic acid phosphatase
Authors:Ramamoorthy, A, Nanga, R, Brender, J, Vivekanandan, S, Popovych, N.
Deposit date:2010-09-13
Release date:2010-10-06
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:NMR structure in a membrane environment reveals putative amyloidogenic regions of the SEVI precursor peptide PAP(248-286).
J.Am.Chem.Soc., 131, 2009
2L86
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BU of 2l86 by Molmil
Solution NMR structure of human amylin in SDS micelles at pH 7.3
Descriptor: Islet amyloid polypeptide
Authors:Nanga, R, Brender, J.R, Vivekanandan, S, Ramamoorthy, A.
Deposit date:2011-01-04
Release date:2011-07-13
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure and membrane orientation of IAPP in its natively amidated form at physiological pH in a membrane environment.
Biochim.Biophys.Acta, 1808, 2011
4MIB
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BU of 4mib by Molmil
Hepatitis C Virus polymerase NS5B genotype 1b (BK) in complex with Compound 48 (N-({(3S)-1-[6-tert-butyl-5-methoxy-8-(2-oxo-1,2-dihydropyridin-3-yl)quinolin-3-yl]pyrrolidin-3-yl}methyl)methanesulfonamide)
Descriptor: DIMETHYL SULFOXIDE, N-({(3S)-1-[6-tert-butyl-5-methoxy-8-(2-oxo-1,2-dihydropyridin-3-yl)quinolin-3-yl]pyrrolidin-3-yl}methyl)methanesulfonamide, RNA-DIRECTED RNA POLYMERASE
Authors:Harris, S.F, Villasenor, A.G.
Deposit date:2013-08-30
Release date:2014-05-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of N-[4-[6-tert-butyl-5-methoxy-8-(6-methoxy-2-oxo-1H-pyridin-3-yl)-3-quinolyl]phenyl]methanesulfonamide (RG7109), a potent inhibitor of the hepatitis C virus NS5B polymerase.
J.Med.Chem., 57, 2014
4MIA
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BU of 4mia by Molmil
Hepatitis C Virus polymerase NS5B genotype 1b (BK) in complex with RG7109 (N-{4-[6-tert-butyl-5-methoxy-8-(6-methoxy-2-oxo-2,5-dihydropyridin-3-yl)quinolin-3-yl]phenyl}methanesulfonamide)
Descriptor: N-{4-[6-tert-butyl-5-methoxy-8-(6-methoxy-2-oxo-2,5-dihydropyridin-3-yl)quinolin-3-yl]phenyl}methanesulfonamide, RNA-directed RNA polymerase, ZINC ION
Authors:Harris, S.F, Villasenor, A.G.
Deposit date:2013-08-30
Release date:2014-05-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of N-[4-[6-tert-butyl-5-methoxy-8-(6-methoxy-2-oxo-1H-pyridin-3-yl)-3-quinolyl]phenyl]methanesulfonamide (RG7109), a potent inhibitor of the hepatitis C virus NS5B polymerase.
J.Med.Chem., 57, 2014
3IJE
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BU of 3ije by Molmil
Crystal structure of the complete integrin alhaVbeta3 ectodomain plus an Alpha/beta transmembrane fragment
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Xiong, J.-P, Mahalingham, B, Rui, X, Hyman, B.T, Goodman, S.L, Arnaout, M.A.
Deposit date:2009-08-04
Release date:2009-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of the complete integrin alphaVbeta3 ectodomain plus an alpha/beta transmembrane fragment.
J.Cell Biol., 186, 2009
3Q3G
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BU of 3q3g by Molmil
Crystal Structure of A-domain in complex with antibody
Descriptor: 1,2-ETHANEDIOL, Antibody Heavy chain, Antibody Light Chain, ...
Authors:Mahalingam, B, Xiong, J.P, Arnaout, M.A.
Deposit date:2010-12-21
Release date:2011-11-30
Last modified:2011-12-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Stable Coordination of the Inhibitory Ca2+ Ion at the Metal Ion-Dependent Adhesion Site in Integrin CD11b/CD18 by an Antibody-Derived Ligand Aspartate: Implications for Integrin Regulation and Structure-Based Drug Design.
J.Immunol., 187, 2011
3QA3
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BU of 3qa3 by Molmil
Crystal Structure of A-domain in complex with antibody
Descriptor: 1,2-ETHANEDIOL, Antibody Heavy chain, Antibody Light chain, ...
Authors:Mahalingam, B, Xiong, J.P, Arnaout, M.A.
Deposit date:2011-01-10
Release date:2011-11-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Stable Coordination of the Inhibitory Ca2+ Ion at the Metal Ion-Dependent Adhesion Site in Integrin CD11b/CD18 by an Antibody-Derived Ligand Aspartate: Implications for Integrin Regulation and Structure-Based Drug Design.
J.Immunol., 187, 2011
4O02
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BU of 4o02 by Molmil
AlphaVBeta3 integrin in complex with monoclonal antibody FAB fragment.
Descriptor: 17E6 heavy chain, 17E6 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Mahalingam, B, van Agthoven, J, Xiong, J, Arnaout, M.A.
Deposit date:2013-12-13
Release date:2014-04-02
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.605 Å)
Cite:Atomic basis for the species-specific inhibition of alpha V integrins by monoclonal antibody 17E6 is revealed by the crystal structure of alpha V beta 3 ectodomain-17E6 Fab complex.
J.Biol.Chem., 289, 2014
4G1M
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BU of 4g1m by Molmil
Re-refinement of alpha V beta 3 structure
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Springer, T.A, Mi, L, Zhu, J.
Deposit date:2012-07-10
Release date:2012-12-12
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Alpha V Beta 3 Integrin Crystal Structures and their Functional Implications
Biochemistry, 51, 2012
2OV6
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BU of 2ov6 by Molmil
The NMR structure of subunit F of the Methanogenic A1Ao ATP synthase and its interaction with the nucleotide-binding subunit B
Descriptor: V-type ATP synthase subunit F
Authors:Gayen, S, Subramanian, V, Biukovic, G.
Deposit date:2007-02-13
Release date:2007-12-25
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NMR solution structure of subunit F of the methanogenic A1AO adenosine triphosphate synthase and its interaction with the nucleotide-binding subunit B.
Biochemistry, 46, 2007
2K88
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BU of 2k88 by Molmil
Association of subunit d (Vma6p) and E (Vma4p) with G (Vma10p) and the NMR solution structure of subunit G (G1-59) of the Saccharomyces cerevisiae V1VO ATPase
Descriptor: Vacuolar proton pump subunit G
Authors:Sankaranarayanan, N, Gayen, S, Thaker, Y, Subramanian, V, Manimekalai, M.S.S, Gruber, G.
Deposit date:2008-09-04
Release date:2009-08-11
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Assembly of subunit d (Vma6p) and G (Vma10p) and the NMR solution structure of subunit G (G(1-59)) of the Saccharomyces cerevisiae V(1)V(O) ATPase.
Biochim.Biophys.Acta, 1787, 2009
2MF9
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BU of 2mf9 by Molmil
Solution structure of the N-terminal domain of human FKBP38 (FKBP38NTD)
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP8
Authors:Kang, C, Ye, H, Simon, B, Sattler, M, Yoon, H.S.
Deposit date:2013-10-08
Release date:2013-11-06
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Functional role of the flexible N-terminal extension of FKBP38 in catalysis.
Sci Rep, 3, 2013
2IGU
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BU of 2igu by Molmil
Deamidated analogue of ImI Conotoxin
Descriptor: Alpha-conotoxin ImI
Authors:Kini, R.M, Kang, T.S.
Deposit date:2006-09-25
Release date:2007-08-14
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:Protein folding determinants: structural features determining alternative disulfide pairing in alpha- and chi/lambda-conotoxins
Biochemistry, 46, 2007

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