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6NN9
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BU of 6nn9 by Molmil
REFINED ATOMIC STRUCTURES OF N9 SUBTYPE INFLUENZA VIRUS NEURAMINIDASE AND ESCAPE MUTANTS
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NEURAMINIDASE N9, ...
Authors:Tulip, W.R, Varghese, J.N, Baker, A.T, Vandonkelaar, A, Laver, W.G, Webster, R.G, Colman, P.M.
Deposit date:1991-03-28
Release date:1992-07-15
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Refined atomic structures of N9 subtype influenza virus neuraminidase and escape mutants.
J.Mol.Biol., 221, 1991
5D65
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BU of 5d65 by Molmil
X-RAY STRUCTURE OF MACROPHAGE INFLAMMATORY PROTEIN-1 ALPHA (CCL3) WITH HEPARIN COMPLEX
Descriptor: 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid, C-C motif chemokine 3, CHLORIDE ION, ...
Authors:Liang, W.G, Hwang, D.Y, Zulueta, M.M, Hung, S.C, Tang, W.
Deposit date:2015-08-11
Release date:2016-04-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural basis for oligomerization and glycosaminoglycan binding of CCL5 and CCL3.
Proc.Natl.Acad.Sci.USA, 113, 2016
6QB8
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BU of 6qb8 by Molmil
Human CCT:mLST8 complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, T-complex protein 1 subunit alpha, T-complex protein 1 subunit beta, ...
Authors:Cuellar, J, Santiago, C, Ludlam, W.G, Bueno-Carrasco, M.T, Valpuesta, J.M, Willardson, B.M.
Deposit date:2018-12-20
Release date:2019-07-03
Last modified:2022-03-30
Method:ELECTRON MICROSCOPY (3.97 Å)
Cite:Structural and functional analysis of the role of the chaperonin CCT in mTOR complex assembly.
Nat Commun, 10, 2019
5NN9
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BU of 5nn9 by Molmil
REFINED ATOMIC STRUCTURES OF N9 SUBTYPE INFLUENZA VIRUS NEURAMINIDASE AND ESCAPE MUTANTS
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NEURAMINIDASE N9, ...
Authors:Tulip, W.R, Varghese, J.N, Baker, A.T, Vandonkelaar, A, Laver, W.G, Webster, R.G, Colman, P.M.
Deposit date:1991-03-28
Release date:1992-07-15
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Refined atomic structures of N9 subtype influenza virus neuraminidase and escape mutants.
J.Mol.Biol., 221, 1991
3TEC
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BU of 3tec by Molmil
CALCIUM BINDING TO THERMITASE. CRYSTALLOGRAPHIC STUDIES OF THERMITASE AT 0, 5 AND 100 MM CALCIUM
Descriptor: CALCIUM ION, EGLIN C, THERMITASE
Authors:Gros, P, Kalk, K.H, Hol, W.G.J.
Deposit date:1990-10-26
Release date:1992-01-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Calcium binding to thermitase. Crystallographic studies of thermitase at 0, 5, and 100 mM calcium.
J.Biol.Chem., 266, 1991
4TIM
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BU of 4tim by Molmil
CRYSTALLOGRAPHIC AND MOLECULAR MODELING STUDIES ON TRYPANOSOMAL TRIOSEPHOSPHATE ISOMERASE: A CRITICAL ASSESSMENT OF THE PREDICTED AND OBSERVED STRUCTURES OF THE COMPLEX WITH 2-PHOSPHOGLYCERATE
Descriptor: 2-PHOSPHOGLYCERIC ACID, TRIOSEPHOSPHATE ISOMERASE
Authors:Nobel, M.E.M, Wierenga, R.K, Hol, W.G.J.
Deposit date:1991-04-11
Release date:1992-10-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystallographic and molecular modeling studies on trypanosomal triosephosphate isomerase: a critical assessment of the predicted and observed structures of the complex with 2-phosphoglycerate.
J.Med.Chem., 34, 1991
1W21
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BU of 1w21 by Molmil
Structure of Neuraminidase from English duck subtype N6 complexed with 30 mM sialic acid (NANA, Neu5Ac), crystal soaked for 43 hours at 291 K.
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:Rudino-Pinera, E, Tunnah, P, Crennell, S.J, Webster, R.G, Laver, W.G, Garman, E.F.
Deposit date:2004-06-25
Release date:2006-01-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:The Crystal Structure of Type a Influenza Virus Neuraminidase of the N6 Subtype Reveals the Existence of Two Separate Neu5Ac Binding Sites
To be Published
1W1X
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BU of 1w1x by Molmil
Structure of Neuraminidase from English duck subtype N6 complexed with 30 mM sialic acid (NANA, Neu5Ac), crystal soaked for 3 hours at 277 K.
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:Rudino-Pinera, E, Tunnah, P, Crennell, S.J, Webster, R.G, Laver, W.G, Garman, E.F.
Deposit date:2004-06-24
Release date:2006-01-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Crystal Structure of Type a Influenza Virus Neuraminidase of the N6 Subtype Reveals the Existence of Two Separate Neu5Ac Binding Sites
To be Published
7AF2
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BU of 7af2 by Molmil
Salmonella typhimurium neuraminidase mutant (D62G)
Descriptor: GLYCEROL, PHOSPHATE ION, Sialidase
Authors:Salinger, M.T, Kuhn, P, Laver, W.G, Pape, T, Schneider, T.R, Sheldrick, G.M, Vimr, E.R, Garman, E.F.
Deposit date:2020-09-19
Release date:2020-09-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (0.792 Å)
Cite:Salmonella typhimurium neuraminidase mutant (D62G)
To Be Published
7AEY
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BU of 7aey by Molmil
Salmonella typhimurium neuraminidase in complex with isocarba-DANA.
Descriptor: (3~{S},4~{S},5~{R})-4-acetamido-3-oxidanyl-5-[(1~{S},2~{R})-1,2,3-tris(oxidanyl)propyl]cyclohexane-1-carboxylic acid, GLYCEROL, PHOSPHATE ION, ...
Authors:Salinger, M.T, Kuhn, P, Laver, W.G, Pape, T, Schneider, T.R, Sheldrick, G.M, Vasella, A.T, Vimr, E.R, Vorwerk, S, Garman, E.F.
Deposit date:2020-09-18
Release date:2020-10-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (0.919 Å)
Cite:Salmonella typhimurium neuraminidase in complex with isocarba-DANA.
To Be Published
3NN9
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BU of 3nn9 by Molmil
REFINED ATOMIC STRUCTURES OF N9 SUBTYPE INFLUENZA VIRUS NEURAMINIDASE AND ESCAPE MUTANTS
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NEURAMINIDASE N9, ...
Authors:Tulip, W.R, Varghese, J.N, Baker, A.T, Vandonkelaar, A, Laver, W.G, Webster, R.G, Colman, P.M.
Deposit date:1991-03-28
Release date:1992-07-15
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Refined atomic structures of N9 subtype influenza virus neuraminidase and escape mutants.
J.Mol.Biol., 221, 1991
5TQU
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BU of 5tqu by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor
Descriptor: 2-[2-[[3-(1~{H}-benzimidazol-2-ylamino)propylamino]methyl]-4,6-bis(chloranyl)indol-1-yl]ethanol, GLYCEROL, METHIONINE, ...
Authors:Barros-Alvarez, X, Hol, W.G.J.
Deposit date:2016-10-24
Release date:2017-04-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:From Cells to Mice to Target: Characterization of NEU-1053 (SB-443342) and Its Analogues for Treatment of Human African Trypanosomiasis.
ACS Infect Dis, 3, 2017
5DNF
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BU of 5dnf by Molmil
Crystal structure of CC chemokine 5 (CCL5) oligomer in complex with heparin
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, C-C motif chemokine 5, ...
Authors:Liang, W.G, Tang, W.
Deposit date:2015-09-10
Release date:2016-04-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.549 Å)
Cite:Structural basis for oligomerization and glycosaminoglycan binding of CCL5 and CCL3.
Proc.Natl.Acad.Sci.USA, 113, 2016
5GZ4
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BU of 5gz4 by Molmil
Crystal structure of snake venom phosphodiesterase (PDE) from Taiwan cobra (Naja atra atra)
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lin, C.C, Wu, B.S, Wu, W.G.
Deposit date:2016-09-26
Release date:2017-09-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structure of snake venom phosphodiesterase (PDE) from Taiwan cobra (Naja atra atra)
To Be Published
6NCX
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BU of 6ncx by Molmil
Crystal structure of GH2 beta-galacturonidase from Eisenbergiella tayi bound to galacturonate
Descriptor: Beta-galacturonidase, CHLORIDE ION, alpha-D-galactopyranuronic acid
Authors:Walton, W.G, Pellock, S.J, Redinbo, M.R.
Deposit date:2018-12-12
Release date:2019-02-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Selecting a Single Stereocenter: The Molecular Nuances That Differentiate beta-Hexuronidases in the Human Gut Microbiome.
Biochemistry, 58, 2019
6P2B
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BU of 6p2b by Molmil
Tethered PXR-LBD/SRC-1p bound to Garcinoic Acid
Descriptor: (2Z,6E,10E)-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydro-2H-1-benzopyran-2-yl]-2,6,10-trimethyltrideca-2,6,10-trienoic acid, DIMETHYL SULFOXIDE, Nuclear receptor subfamily 1 group I member 2
Authors:Walton, W.G, Pellock, S.J, Redinbo, M.R.
Deposit date:2019-05-21
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Garcinoic Acid Is a Natural and Selective Agonist of Pregnane X Receptor.
J.Med.Chem., 63, 2020
2SIM
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BU of 2sim by Molmil
THE STRUCTURES OF SALMONELLA TYPHIMURIUM LT2 NEURAMINIDASE AND ITS COMPLEX WITH A TRANSITION STATE ANALOGUE AT 1.6 ANGSTROMS RESOLUTION
Descriptor: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, SIALIDASE
Authors:Taylor, G.L, Crennell, S.J, Garman, E.F, Vimr, E.R, Laver, W.G.
Deposit date:1994-07-15
Release date:1994-11-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The structures of Salmonella typhimurium LT2 neuraminidase and its complexes with three inhibitors at high resolution.
J.Mol.Biol., 259, 1996
2SIL
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BU of 2sil by Molmil
THE STRUCTURES OF SALMONELLA TYPHIMURIUM LT2 NEURAMINIDASE AND ITS COMPLEX WITH A TRANSITION STATE ANALOGUE AT 1.6 ANGSTROMS RESOLUTION
Descriptor: SIALIDASE
Authors:Taylor, G.L, Crennell, S.J, Garman, E.F, Vimr, E.R, Laver, W.G.
Deposit date:1994-07-13
Release date:1994-08-31
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The structures of Salmonella typhimurium LT2 neuraminidase and its complexes with three inhibitors at high resolution.
J.Mol.Biol., 259, 1996
1LT5
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BU of 1lt5 by Molmil
HEAT-LABILE ENTEROTOXIN B-PENTAMER COMPLEXED WITH THIODIGALACTOSIDE
Descriptor: HEAT-LABILE ENTEROTOXIN, beta-D-galactopyranose-(1-1)-1-thio-beta-D-galactopyranose
Authors:Merritt, E.A, Hol, W.G.J.
Deposit date:1997-09-30
Release date:1997-12-03
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural foundation for the design of receptor antagonists targeting Escherichia coli heat-labile enterotoxin.
Structure, 5, 1997
1LT3
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BU of 1lt3 by Molmil
HEAT-LABILE ENTEROTOXIN DOUBLE MUTANT N40C/G166C
Descriptor: HEAT-LABILE ENTEROTOXIN, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Van Den Akker, F, Hol, W.G.J.
Deposit date:1997-04-12
Release date:1997-07-07
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of heat-labile enterotoxin from Escherichia coli with increased thermostability introduced by an engineered disulfide bond in the A subunit.
Protein Sci., 6, 1997
1LT6
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BU of 1lt6 by Molmil
HEAT-LABILE ENTEROTOXIN B-PENTAMER COMPLEXED WITH METANITROPHENYLGALACTOSIDE
Descriptor: 3-nitrophenyl alpha-D-galactopyranoside, HEAT-LABILE ENTEROTOXIN
Authors:Merritt, E.A, Hol, W.G.J.
Deposit date:1997-10-01
Release date:1997-12-03
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural foundation for the design of receptor antagonists targeting Escherichia coli heat-labile enterotoxin.
Structure, 5, 1997
1LT4
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BU of 1lt4 by Molmil
HEAT-LABILE ENTEROTOXIN MUTANT S63K
Descriptor: HEAT-LABILE ENTEROTOXIN, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Van Den Akker, F, Hol, W.G.J.
Deposit date:1997-04-14
Release date:1997-06-16
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a non-toxic mutant of heat-labile enterotoxin, which is a potent mucosal adjuvant.
Protein Sci., 6, 1997
359D
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BU of 359d by Molmil
INHIBITION OF THE HAMMERHEAD RIBOZYME CLEAVAGE REACTION BY SITE-SPECIFIC BINDING OF TB(III)
Descriptor: RNA HAMMERHEAD RIBOZYME, TERBIUM(III) ION
Authors:Feig, A.L, Scott, W.G, Uhlenbeck, O.C.
Deposit date:1997-10-27
Release date:1997-11-07
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Inhibition of the hammerhead ribozyme cleavage reaction by site-specific binding of Tb.
Science, 279, 1998
5TIM
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BU of 5tim by Molmil
REFINED 1.83 ANGSTROMS STRUCTURE OF TRYPANOSOMAL TRIOSEPHOSPHATE ISOMERASE, CRYSTALLIZED IN THE PRESENCE OF 2.4 M-AMMONIUM SULPHATE. A COMPARISON WITH THE STRUCTURE OF THE TRYPANOSOMAL TRIOSEPHOSPHATE ISOMERASE-GLYCEROL-3-PHOSPHATE COMPLEX
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, SULFATE ION, TRIOSEPHOSPHATE ISOMERASE
Authors:Wierenga, R.K, Hol, W.G.J.
Deposit date:1991-04-23
Release date:1992-10-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Refined 1.83 A structure of trypanosomal triosephosphate isomerase crystallized in the presence of 2.4 M-ammonium sulphate. A comparison with the structure of the trypanosomal triosephosphate isomerase-glycerol-3-phosphate complex.
J.Mol.Biol., 220, 1991
4CSB
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BU of 4csb by Molmil
Structure of the Virulence-Associated Protein VapD from the intracellular pathogen Rhodococcus equi.
Descriptor: VIRULENCE ASSOCIATED PROTEIN VAPD, octyl beta-D-glucopyranoside
Authors:Whittingham, J.L, Blagova, E.V, Finn, C.E, Luo, H, Miranda-CasoLuengo, R, Turkenburg, J.P, Leech, A.P, Walton, P.H, Meijers, W.G, Wilkinson, A.J.
Deposit date:2014-03-06
Release date:2014-04-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the Virulence-Associated Protein Vapd from the Intracellular Pathogen Rhodococcus Equi.
Acta Crystallogr.,Sect.D, 70, 2014

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