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5A6K
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BU of 5a6k by Molmil
GH20C, Beta-hexosaminidase from Streptococcus pneumoniae in complex with Gal-NGT
Descriptor: (2S,3aR,5R,6R,7R,7aR)-5-(hydroxymethyl)-2-methyl-2,3a,5,6,7,7a-hexahydro-1H-pyrano[3,2-d][1,3]thiazole-6,7-diol, GH20C
Authors:Cid, M, Robb, C.S, Higgins, M.A, Boraston, A.B.
Deposit date:2015-06-26
Release date:2015-09-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A Second Beta-Hexosaminidase Encoded in the Streptococcus Pneumoniae Genome Provides an Expanded Biochemical Ability to Degrade Host Glycans
J.Biol.Chem., 290, 2015
5AWN
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BU of 5awn by Molmil
Crystal structure of Human anti-HIV-1 broadly neutralizing antibody 3BC176 Fab
Descriptor: Heavy chain of 3BC176 Fab, Light chain of 3BC176 Fab
Authors:Lee, J.H, Wilson, I.A, Ward, A.B.
Deposit date:2015-07-06
Release date:2015-11-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.887 Å)
Cite:Antibodies to a conformational epitope on gp41 neutralize HIV-1 by destabilizing the Env spike.
Nat Commun, 6, 2015
5AMU
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BU of 5amu by Molmil
IglE I39A,Y40A,V44A
Descriptor: IGLE
Authors:Robb, C.S, Nano, F.E, Boraston, A.B.
Deposit date:2015-09-01
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Structure, Dimerisation and Impact on Intramacrophage Replication of Igle in Francisella Novicida
To be Published
5A55
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BU of 5a55 by Molmil
The native structure of GH101 from Streptococcus pneumoniae TIGR4
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, ENDO-ALPHA-N-ACETYLGALACTOSAMINIDASE, ...
Authors:Gregg, K.J, Suits, M.D.L, Deng, L, Vocadlo, D.J, Boraston, A.B.
Deposit date:2015-06-16
Release date:2015-09-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural Analysis of a Family 101 Glycoside Hydrolase in Complex with Carbohydrates Reveals Insights Into its Mechanism.
J.Biol.Chem., 290, 2015
5A5A
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BU of 5a5a by Molmil
The structure of GH101 E796Q mutant from Streptococcus pneumoniae TIGR4 in complex with PNP-T-antigen
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CITRIC ACID, ...
Authors:Gregg, K.J, Suits, M.D.L, Deng, L, Vocadlo, D.J, Boraston, A.B.
Deposit date:2015-06-16
Release date:2015-09-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Analysis of a Family 101 Glycoside Hydrolase in Complex with Carbohydrates Reveals Insights Into its Mechanism.
J.Biol.Chem., 290, 2015
3DT3
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BU of 3dt3 by Molmil
Human Estrogen receptor alpha LBD with GW368
Descriptor: 5-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)-7-methylnaphthalen-2-ol, Estrogen receptor
Authors:Williams, S.P, Miller, A.B.
Deposit date:2008-07-14
Release date:2008-09-09
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Synthesis of 3-alkyl naphthalenes as novel estrogen receptor ligands.
Bioorg.Med.Chem.Lett., 18, 2008
5AN1
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BU of 5an1 by Molmil
Crystallographic structure of the Glutathione S-Transferase from Litopenaeus vannamei complexed with Glutathione
Descriptor: GLUTATHIONE, GLUTATHIONE S-TRANSFERASE
Authors:Juarez-Martinez, A.B, Sotelo-Mundo, R, Rudino-Pinera, E.
Deposit date:2015-09-02
Release date:2016-10-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a class-mu glutathione S-transferase from whiteleg shrimp Litopenaeus vannamei: structural changes in the xenobiotic binding H-site may alter the spectra of molecules bound.
J. Biochem. Mol. Toxicol., 31, 2017
5AMT
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BU of 5amt by Molmil
Intracellular growth locus protein E
Descriptor: 1,2-ETHANEDIOL, BROMIDE ION, IGLE
Authors:Robb, C.S, Nano, F.E, Boraston, A.B.
Deposit date:2015-09-01
Release date:2016-10-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Cloning, Expression, Purification, Crystallization and Preliminary X-Ray Diffraction Analysis of Intracellular Growth Locus E (Igle) Protein from Francisella Tularensis Subsp. Novicida.
Acta Crystallogr.,Sect.F, 66, 2010
3B88
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BU of 3b88 by Molmil
Complex of T57A Substituted Drosophila LUSH Protein with Ethanol
Descriptor: 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ACETATE ION, General odorant-binding protein lush
Authors:Jones, D.N.M, Thode, A.B.
Deposit date:2007-10-31
Release date:2008-02-05
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:The role of multiple hydrogen-bonding groups in specific alcohol binding sites in proteins: insights from structural studies of LUSH.
J.Mol.Biol., 376, 2008
3BLV
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BU of 3blv by Molmil
Yeast Isocitrate Dehydrogenase with Citrate Bound in the Regulatory Subunits
Descriptor: CITRATE ANION, Isocitrate dehydrogenase [NAD] subunit 1, Isocitrate dehydrogenase [NAD] subunit 2
Authors:Taylor, A.B, Hu, G, Hart, P.J, McAlister-Henn, L.
Deposit date:2007-12-11
Release date:2008-02-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Allosteric Motions in Structures of Yeast NAD+-specific Isocitrate Dehydrogenase.
J.Biol.Chem., 283, 2008
1UB5
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BU of 1ub5 by Molmil
Crystal structure of Antibody 19G2 with hapten at 100K
Descriptor: 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID, antibody 19G2, alpha chain, ...
Authors:Beuscher, A.B, Wirsching, P, Lerner, R.A, Janda, K, Stevens, R.C.
Deposit date:2003-03-30
Release date:2004-04-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and Dynamics of Blue Fluorescent Antibody 19G2 at Blue and Violet Fluorescent Temperatures
To be published
1TTK
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BU of 1ttk by Molmil
NMR solution structure of omega-conotoxin MVIIA, a N-type calcium channel blocker
Descriptor: Omega-conotoxin MVIIa
Authors:Adams, D.J, Smith, A.B, Schroeder, C.I, Yasuda, T, Lewis, R.J.
Deposit date:2004-06-22
Release date:2004-07-06
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:omega-conotoxin CVID inhibits a pharmacologically distinct voltage-sensitive calcium channel associated with transmitter release from preganglionic nerve terminals
J.Biol.Chem., 278, 2003
1TT3
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BU of 1tt3 by Molmil
NMR soulution structure of omega-conotoxin [K10]MVIIA
Descriptor: Omega-conotoxin MVIIa
Authors:Adams, D.J, Smith, A.B, Schroeder, C.I, Yasuda, T, Lewis, R.J.
Deposit date:2004-06-21
Release date:2004-07-06
Last modified:2021-11-10
Method:SOLUTION NMR
Cite:omega-conotoxin CVID inhibits a pharmacologically distinct voltage-sensitive calcium channel associated with transmitter release from preganglionic nerve terminals
J.Biol.Chem., 278, 2003
1U8E
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BU of 1u8e by Molmil
HUMAN DIPEPTIDYL PEPTIDASE IV/CD26 MUTANT Y547F
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Bjelke, J.R, Christensen, J, Branner, S, Wagtmann, N, Olsen, C, Kanstrup, A.B, Rasmussen, H.B.
Deposit date:2004-08-05
Release date:2004-08-17
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Tyrosine 547 constitutes an essential part of the catalytic mechanism of dipeptidyl peptidase IV
J.Biol.Chem., 279, 2004
1TU6
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BU of 1tu6 by Molmil
Cathepsin K complexed with a ketoamide inhibitor
Descriptor: Cathepsin K, SULFATE ION, [1-(4-FLUOROBENZYL)CYCLOBUTYL]METHYL (1S)-1-[OXO(1H-PYRAZOL-5-YLAMINO)ACETYL]PENTYLCARBAMATE
Authors:Barrett, D.G, Catalano, J.G, Deaton, D.N, Hassell, A.M, Long, S.T, Miller, A.B, Miller, L.R, Shewchuk, L.M, Wells-Knecht, K.J, Wright, L.L.
Deposit date:2004-06-24
Release date:2004-09-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Potent and selective P2-P3 ketoamide inhibitors of cathepsin K with improved pharmacokinetic properties via favorable P1', P1, and/or P3 substitutions
BIOORG.MED.CHEM.LETT., 14, 2004
1UB6
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BU of 1ub6 by Molmil
Crystal structure of Antibody 19G2 with sera ligand
Descriptor: antibody 19G2, alpha chain, beta chain
Authors:Beuscher, A.B, Wirsching, P, Lerner, R.A, Janda, K, Stevens, R.C.
Deposit date:2003-03-30
Release date:2004-04-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structure and Dynamics of Blue Fluorescent Antibody 19G2 at Blue and Violet Fluorescent Temperatures
To be published
4OTB
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BU of 4otb by Molmil
4-OXALOCROTONATE TAUTOMERASE OBSERVED AS AN OCTODECAMER, RHOMBOHEDRAL CRYSTAL FORM
Descriptor: 4-OXALOCROTONATE TAUTOMERASE
Authors:Taylor, A.B, Whitman, C.P, Hackert, M.L.
Deposit date:1998-10-15
Release date:2001-08-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Native and inhibitor complex structures of 4-oxalocrotonate tautomerase from Pseudomonas putida mt-2 (University of Texas at Austin-136 pages)
Thesis, 1998
4OQM
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BU of 4oqm by Molmil
Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with F-ARA-EdU
Descriptor: 1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-ethynylpyrimidine-2,4(1H,3H)-dione, SULFATE ION, Thymidine kinase
Authors:Pernot, L, Neef, A.B, Westermaier, Y, Perozzo, R, Luedtke, N, Scapozza, L.
Deposit date:2014-02-10
Release date:2014-08-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with F-ARA-EdU
To be Published
4OTA
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BU of 4ota by Molmil
4-OXALOCROTONATE TAUTOMERASE OBSERVED AS AN OCTODECAMER, ORTHORHOMBIC CRYSTAL FORM
Descriptor: 4-OXALOCROTONATE TAUTOMERASE, SULFATE ION
Authors:Taylor, A.B, Whitman, C.P, Hackert, M.L.
Deposit date:1998-10-15
Release date:2001-08-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Native and inhibitor complex structures of 4-oxalocrotonate tautomerase from Pseudomonas putida mt-2 (University of Texas at Austin-136 pages)
Thesis, 1998
1UY4
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BU of 1uy4 by Molmil
Binding sub-site dissection of a family 6 carbohydrate-binding module by X-ray crystallography and isothermal titration calorimetry
Descriptor: CALCIUM ION, ENDO-1,4-BETA-XYLANASE A, GLYCEROL, ...
Authors:Van Bueren, A.L, Boraston, A.B.
Deposit date:2004-03-01
Release date:2004-06-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Binding Sub-Site Dissection of a Carbohydrate-Binding Module Reveals the Contribution of Entropy to Oligosaccharide Recognition at "Non-Primary" Binding Subsites.
J.Mol.Biol., 340, 2004
1UY3
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BU of 1uy3 by Molmil
Binding sub-site dissection of a family 6 carbohydrate-binding module by X-ray crystallography and isothermal titration calorimetry
Descriptor: CALCIUM ION, ENDO-1,4-BETA-XYLANASE A, GLYCEROL, ...
Authors:Van Bueren, A.L, Boraston, A.B.
Deposit date:2004-03-01
Release date:2004-06-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Binding Sub-Site Dissection of a Carbohydrate-Binding Module Reveals the Contribution of Entropy to Oligosaccharide Recognition at "Non-Primary" Binding Subsites.
J.Mol.Biol., 340, 2004
4OQL
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BU of 4oql by Molmil
Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with dF-EdU
Descriptor: 2'-deoxy-5-ethynyl-2',2'-difluorouridine, SULFATE ION, Thymidine kinase
Authors:Pernot, L, Neef, A.B, Westermaier, Y, Perozzo, R, Luedtke, N, Scapozza, L.
Deposit date:2014-02-10
Release date:2014-08-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with dF-EdU
To be Published
4OQN
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BU of 4oqn by Molmil
Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with EdU
Descriptor: 2'-deoxy-5-ethynyluridine, SULFATE ION, Thymidine kinase
Authors:Pernot, L, Neef, A.B, Westermaier, Y, Perozzo, R, Luedtke, N.W, Scapozza, L.
Deposit date:2014-02-10
Release date:2014-08-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with EdU
To be Published
4OQX
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BU of 4oqx by Molmil
Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with Me-ARA-EdU
Descriptor: 1-(2-deoxy-2-methyl-beta-D-arabinofuranosyl)-5-ethynylpyrimidine-2,4(1H,3H)-dione, SULFATE ION, Thymidine kinase
Authors:Pernot, L, Neef, A.B, Westermaier, Y, Perozzo, R, Luedtke, N, Scapozza, L.
Deposit date:2014-02-10
Release date:2014-08-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of HSV1-TK complexed with Me-ARA-EdU
To be Published
1UY2
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BU of 1uy2 by Molmil
Binding sub-site dissection of a family 6 carbohydrate-binding module by X-ray crystallography and isothermal titration calorimetry
Descriptor: CALCIUM ION, ENDO-1,4-BETA-XYLANASE A, GLYCEROL, ...
Authors:Van Bueren, A.L, Boraston, A.B.
Deposit date:2004-03-01
Release date:2004-06-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Binding Sub-Site Dissection of a Carbohydrate-Binding Module Reveals the Contribution of Entropy to Oligosaccharide Recognition at "Non-Primary" Binding Subsites.
J.Mol.Biol., 340, 2004

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