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3BGA
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BU of 3bga by Molmil
Crystal structure of beta-galactosidase from Bacteroides thetaiotaomicron VPI-5482
Descriptor: Beta-galactosidase, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-11-26
Release date:2007-12-11
Last modified:2021-02-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure analysis of beta-galactosidase from Bacteroides thetaiotaomicron VPI-5482.
To be Published
4HGV
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BU of 4hgv by Molmil
Crystal structure of a fumarate hydratase
Descriptor: Fumarate hydratase class II, SULFATE ION
Authors:Eswaramoorthy, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Seidel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2012-10-08
Release date:2012-10-31
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Crystal structure of a fumarate hydratase
To be Published
3DCN
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BU of 3dcn by Molmil
Glomerella cingulata apo cutinase
Descriptor: Cutinase
Authors:Nyon, M.P, Rice, D.W, Berrisford, J.M, Hounslow, A.M, Moir, A.J.G, Huang, H, Nathan, S, Mahadi, N.M, Farah Diba, A.B, Craven, C.J.
Deposit date:2008-06-04
Release date:2008-11-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Catalysis by Glomerella cingulata Cutinase Requires Conformational Cycling between the Active and Inactive States of Its Catalytic Triad
J.Mol.Biol., 385, 2009
3DEA
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BU of 3dea by Molmil
Glomerella cingulata PETFP-cutinase complex
Descriptor: 1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-2-one, Cutinase
Authors:Nyon, M.P, Rice, D.W, Berrisford, J.M, Hounslow, A.M, Moir, A.J.G, Huang, H, Nathan, S, Mahadi, N.M, Farah Diba, A.B, Craven, C.J.
Deposit date:2008-06-09
Release date:2008-11-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Catalysis by Glomerella cingulata Cutinase Requires Conformational Cycling between the Active and Inactive States of Its Catalytic Triad
J.Mol.Biol., 385, 2009
3QW6
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BU of 3qw6 by Molmil
Crystal structure of the protease domain of Botulinum Neurotoxin Serotype A with a peptide inhibitor RYGC
Descriptor: Botulinum neurotoxin type A, SODIUM ION, SULFATE ION, ...
Authors:Kumaran, D, Swaminathan, S.
Deposit date:2011-02-26
Release date:2012-02-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Peptide inhibitors of botulinum neurotoxin serotype A: design, inhibition, cocrystal structures, structure-activity relationship and pharmacophore modeling.
Acta Crystallogr.,Sect.D, 68, 2012
3QW7
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BU of 3qw7 by Molmil
Crystal structure of the protease domain of Botulinum Neurotoxin Serotype A with a peptide inhibitor RRFC
Descriptor: Botulinum neurotoxin type A, SODIUM ION, SULFATE ION, ...
Authors:Kumaran, D, Swaminathan, S.
Deposit date:2011-02-27
Release date:2012-02-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Peptide inhibitors of botulinum neurotoxin serotype A: design, inhibition, cocrystal structures, structure-activity relationship and pharmacophore modeling.
Acta Crystallogr.,Sect.D, 68, 2012
3DEC
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BU of 3dec by Molmil
Crystal structure of a glycosyl hydrolases family 2 protein from Bacteroides thetaiotaomicron
Descriptor: Beta-galactosidase, POTASSIUM ION
Authors:Kumaran, D, Bonanno, J, Romero, R, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2008-06-09
Release date:2008-06-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of a Glycosyl Hydrolases Family 2 protein from Bacteroides thetaiotaomicron.
To be Published
3NO1
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BU of 3no1 by Molmil
Crystal Structure of Mandelate racemase/muconate lactonizing enzyme from a Marine actinobacterium in complex with magnesium
Descriptor: MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme
Authors:Satyanarayana, L, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2010-06-24
Release date:2010-07-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Crystal Structure of Mandelate racemase/muconate lactonizing enzyme from a Marine actinobacterium in complex with magnesium
To be Published
3AIH
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BU of 3aih by Molmil
Human OS-9 MRH domain complexed with alpha3,alpha6-Man5
Descriptor: Protein OS-9, alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose
Authors:Satoh, T, Chen, Y, Hu, D, Hanashima, S, Yamamoto, K, Yamaguchi, Y.
Deposit date:2010-05-14
Release date:2010-12-22
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis for Oligosaccharide Recognition of Misfolded Glycoproteins by OS-9 in ER-Associated Degradation
Mol.Cell, 40, 2010
1HP9
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BU of 1hp9 by Molmil
kappa-Hefutoxins: a novel Class of Potassium Channel Toxins from Scorpion venom
Descriptor: kappa-hefutoxin 1
Authors:Srinivasan, K.N, Sivaraja, V, Huys, I, Sasaki, T, Cheng, B, Kumar, T.K.S, Sato, K, Tytgat, J, Yu, C, Brian Chia, C.S, Ranganathan, S, Bowie, J.H, Kini, R.M, Gopalakrishnakone, P.
Deposit date:2000-12-12
Release date:2002-08-28
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:kappa-Hefutoxin1, a novel toxin from the scorpion Heterometrus fulvipes with unique structure and function. Importance of the functional diad in potassium channel selectivity.
J.Biol.Chem., 277, 2002
1S0B
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BU of 1s0b by Molmil
Crystal structure of botulinum neurotoxin type B at pH 4.0
Descriptor: Botulinum neurotoxin type B, CALCIUM ION
Authors:Eswaramoorthy, S, Kumaran, D, Keller, J, Swaminathan, S.
Deposit date:2003-12-30
Release date:2004-03-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Role of metals in the biological activity of Clostridium botulinum neurotoxins
Biochemistry, 43, 2004
3QW5
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BU of 3qw5 by Molmil
Crystal structure of the protease domain of Botulinum Neurotoxin Serotype A with a peptide inhibitor RRGF
Descriptor: Botulinum neurotoxin type A, SULFATE ION, ZINC ION, ...
Authors:Kumaran, D, Swaminathan, S.
Deposit date:2011-02-26
Release date:2012-02-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Peptide inhibitors of botulinum neurotoxin serotype A: design, inhibition, cocrystal structures, structure-activity relationship and pharmacophore modeling.
Acta Crystallogr.,Sect.D, 68, 2012
1S0D
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BU of 1s0d by Molmil
Crystal structure of botulinum neurotoxin type B at pH 5.5
Descriptor: Botulinum neurotoxin type B, CALCIUM ION, ZINC ION
Authors:Eswaramoorthy, S, Kumaran, D, Keller, J, Swaminathan, S.
Deposit date:2003-12-30
Release date:2004-03-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Role of metals in the biological activity of Clostridium botulinum neurotoxins
Biochemistry, 43, 2004
1S0G
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BU of 1s0g by Molmil
Crystal structure of botulinum neurotoxin type B apo form
Descriptor: Botulinum neurotoxin type B
Authors:Eswaramoorthy, S, Kumaran, D, Keller, J, Swaminathan, S.
Deposit date:2003-12-30
Release date:2004-03-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Role of metals in the biological activity of Clostridium botulinum neurotoxins
Biochemistry, 43, 2004
3OGI
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BU of 3ogi by Molmil
Crystal structure of the Mycobacterium tuberculosis H37Rv EsxOP complex (Rv2346c-Rv2347c)
Descriptor: Putative ESAT-6-like protein 6, Putative ESAT-6-like protein 7
Authors:Arbing, M.A, Chan, S, Zhou, T.T, Ahn, C, Harris, L, Kuo, E, Sawaya, M.R, Cascio, D, Eisenberg, D, Integrated Center for Structure and Function Innovation (ISFI), TB Structural Genomics Consortium (TBSGC)
Deposit date:2010-08-16
Release date:2010-08-25
Last modified:2014-05-21
Method:X-RAY DIFFRACTION (2.549 Å)
Cite:Heterologous expression of mycobacterial Esx complexes in Escherichia coli for structural studies is facilitated by the use of maltose binding protein fusions.
Plos One, 8, 2013
1PXR
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BU of 1pxr by Molmil
Structure of Pro50Ala mutant of Bacteriorhodopsin
Descriptor: Bacteriorhodopsin, RETINAL
Authors:Faham, S, Yang, D, Bare, E, Yohannan, S, Whitelegge, J.P, Bowie, J.U.
Deposit date:2003-07-06
Release date:2003-12-16
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Side-chain Contributions to Membrane Protein Structure and Stability.
J.Mol.Biol., 335, 2004
1PY6
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BU of 1py6 by Molmil
Bacteriorhodopsin crystallized from bicells
Descriptor: Bacteriorhodopsin, RETINAL
Authors:Faham, S, Yang, D, Bare, E, Yohannan, S, Whitelegge, J.P, Bowie, J.U.
Deposit date:2003-07-08
Release date:2003-12-16
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Side-chain Contributions to Membrane Protein Structure and Stability.
J.Mol.Biol., 335, 2004
3QW8
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BU of 3qw8 by Molmil
Crystal structure of the protease domain of Botulinum Neurotoxin Serotype A with a peptide inhibitor CRGC
Descriptor: 1,2-ETHANEDIOL, Botulinum neurotoxin type A, SODIUM ION, ...
Authors:Kumaran, D, Swaminathan, S.
Deposit date:2011-02-27
Release date:2012-02-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Peptide inhibitors of botulinum neurotoxin serotype A: design, inhibition, cocrystal structures, structure-activity relationship and pharmacophore modeling.
Acta Crystallogr.,Sect.D, 68, 2012
3CPG
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BU of 3cpg by Molmil
Crystal structure of an unknown protein from Bifidobacterium adolescentis
Descriptor: ACETATE ION, Uncharacterized protein
Authors:Sugadev, R, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2008-03-31
Release date:2008-05-13
Last modified:2021-02-03
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Crystal structure of an unknown protein from Bifidobacterium adolescentis.
To be Published
1PXS
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BU of 1pxs by Molmil
Structure of Met56Ala mutant of Bacteriorhodopsin
Descriptor: Bacteriorhodopsin, RETINAL
Authors:Faham, S, Yang, D, Bare, E, Yohannan, S, Whitelegge, J.P, Bowie, J.U.
Deposit date:2003-07-06
Release date:2003-12-16
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Side-chain Contributions to Membrane Protein Structure and Stability.
J.Mol.Biol., 335, 2004
3R64
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BU of 3r64 by Molmil
Crystal structure of a NAD-dependent benzaldehyde dehydrogenase from Corynebacterium glutamicum
Descriptor: NAD dependent benzaldehyde dehydrogenase
Authors:Agarwal, R, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2011-03-21
Release date:2011-04-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Crystal structure of a NAD-dependent benzaldehyde dehydrogenase from Corynebacterium glutamicum
To be Published
1S0C
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BU of 1s0c by Molmil
Crystal structure of botulinum neurotoxin type B at pH 5.0
Descriptor: Botulinum neurotoxin type B, CALCIUM ION, ZINC ION
Authors:Eswaramoorthy, S, Kumaran, D, Keller, J, Swaminathan, S.
Deposit date:2003-12-30
Release date:2004-03-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Role of metals in the biological activity of Clostridium botulinum neurotoxins
Biochemistry, 43, 2004
3PMZ
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BU of 3pmz by Molmil
Crystal Structure of the Complex of Acetylcholine Binding Protein and d-tubocurarine
Descriptor: (1beta,1'alpha)-7',12'-dihydroxy-6,6'-dimethoxy-2,2',2'-trimethyltubocuraran-2'-ium, MAGNESIUM ION, Soluble acetylcholine receptor
Authors:Talley, T.T, Harel, M, Yamauchi, J.G, Radic, Z, Hansen, S, Huxford, T, Taylor, P.W.
Deposit date:2010-11-18
Release date:2011-10-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:The Curare Alkaloids: Analyzing the Poses of Complexes with the Acetylcholine Binding Protein in Relation to Structure and Binding Energies
To be Published
3PEO
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BU of 3peo by Molmil
Crystal structure of acetylcholine binding protein complexed with metocurine
Descriptor: 6,6',7',12'-tetramethoxy-2,2,2',2'-tetramethyltubocuraran-2,2'-diium, Soluble acetylcholine receptor
Authors:Talley, T.T, Harel, M, Yamauchi, G.J, Radic, Z, Hansen, S, Huxford, T, Taylor, P.W.
Deposit date:2010-10-27
Release date:2011-10-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The curare alkaloids: analyzing the poses of complexes with the acetylcholine binding protein in relation to structure and binding energetics
To be Published
7XW6
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BU of 7xw6 by Molmil
TSHR-Gs-M22 antibody-ML109 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Duan, J, Xu, P, Luan, X, Ji, Y, Yuan, Q, He, X, Ye, J, Cheng, X, Jiang, H, Zhang, S, Jiang, Y, Xu, H.E.
Deposit date:2022-05-26
Release date:2022-08-17
Last modified:2022-10-05
Method:ELECTRON MICROSCOPY (2.78 Å)
Cite:Hormone- and antibody-mediated activation of the thyrotropin receptor.
Nature, 609, 2022

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