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4W85
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BU of 4w85 by Molmil
Crystal structure of XEG5A, a GH5 xyloglucan-specific endo-beta-1,4-glucanase from ruminal metagenomic library, in complex with glucose
Descriptor: MAGNESIUM ION, Xyloglucan-specific endo-beta-1,4-glucanase, beta-D-glucopyranose
Authors:Santos, C.R, Cordeiro, R.L, Wong, D.W.S, Murakami, M.T.
Deposit date:2014-08-22
Release date:2015-03-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structural Basis for Xyloglucan Specificity and alpha-d-Xylp(1 6)-d-Glcp Recognition at the -1 Subsite within the GH5 Family.
Biochemistry, 54, 2015
5IYW
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BU of 5iyw by Molmil
Protruding domain of GII.4 human norovirus CHDC2094 in complex with 3-fucosyllactose (3FL)
Descriptor: 1,2-ETHANEDIOL, CITRATE ANION, VP1, ...
Authors:Singh, B.K, Hansman, G.S.
Deposit date:2016-03-24
Release date:2017-04-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Structural basis for GII.4 norovirus inhibition by human milk oligosaccharides.
To be published
4UVD
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BU of 4uvd by Molmil
Discovery of pyrimidine isoxazoles InhA in complex with compound 6
Descriptor: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[(2Z)-5-[3-(trifluoromethyl)benzyl]-1,3-thiazol-2(3H)-ylidene]acetamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], MAGNESIUM ION, ...
Authors:Read, J.A, Gingell, H, Madhavapeddi, P, Ghorpade, S, Cowan, S.
Deposit date:2014-08-05
Release date:2015-09-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Hitting the Target in More Than One Way: Novel, Direct Inhibitors of Mycobacterium Tuberculosis Enoyl Acp Reductase
To be Published
5J4I
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BU of 5j4i by Molmil
Crystal Structure of the L-arginine/agmatine antiporter from E. coli at 2.2 Angstroem resolution
Descriptor: Arginine/agmatine antiporter
Authors:Jeckelmann, J.M, Ilgue, H, Fotiadis, D.
Deposit date:2016-04-01
Release date:2016-08-31
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.207 Å)
Cite:Insights into the molecular basis for substrate binding and specificity of the wild-type L-arginine/agmatine antiporter AdiC.
Proc.Natl.Acad.Sci.USA, 113, 2016
4USV
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BU of 4usv by Molmil
Crystal structure of human soluble Adenylyl Cyclase with pyrophosphate resulting from soaking with ATP and Calcium
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, ADENYLATE CYCLASE TYPE 10, ...
Authors:Kleinboelting, S, Steegborn, C.
Deposit date:2014-07-13
Release date:2014-07-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Analysis of Human Soluble Adenylyl Cyclase and Crystal Structures of its Nucleotide Complexes -Implications for Cyclase Catalysis and Evolution.
FEBS J., 281, 2014
1HE4
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BU of 1he4 by Molmil
Human biliverdin IX beta reductase: NADP/FMN ternary complex
Descriptor: BILIVERDIN IX BETA REDUCTASE, FLAVIN MONONUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Pereira, P.J.B, Macedo-Ribeiro, S, Parraga, A, Perez-Luque, R, Cunningham, O, Darcy, K, Mantle, T.J, Coll, M.
Deposit date:2000-11-19
Release date:2001-02-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure of Human Biliverdin Ix Beta Reductase, an Early Fetal Bilirubin Ix Producing Enzyme
Nat.Struct.Biol., 8, 2001
3C02
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BU of 3c02 by Molmil
X-ray structure of the aquaglyceroporin from Plasmodium falciparum
Descriptor: Aquaglyceroporin, GLYCEROL, octyl beta-D-glucopyranoside
Authors:Newby, Z.E, Stroud, R.M, Center for Structures of Membrane Proteins (CSMP)
Deposit date:2008-01-18
Release date:2008-05-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of the aquaglyceroporin PfAQP from the malarial parasite Plasmodium falciparum.
Nat.Struct.Mol.Biol., 15, 2008
2AFM
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BU of 2afm by Molmil
Crystal structure of human glutaminyl cyclase at pH 6.5
Descriptor: Glutaminyl-peptide cyclotransferase, SULFATE ION, ZINC ION
Authors:Huang, K.F, Liu, Y.L, Cheng, W.J, Ko, T.P, Wang, A.H.J.
Deposit date:2005-07-26
Release date:2005-08-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Crystal structures of human glutaminyl cyclase, an enzyme responsible for protein N-terminal pyroglutamate formation
Proc.Natl.Acad.Sci.Usa, 102, 2005
4URT
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BU of 4urt by Molmil
The crystal structure of a fragment of netrin-1 in complex with FN5- FN6 of DCC
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
Authors:Finci, L.I, Krueger, N, Sun, X, Zhang, J, Chegkazi, M, Wu, Y, Schenk, G, Mertens, H.D.T, Svergun, D.I, Zhang, Y, Wang, J.-h, Meijers, R.
Deposit date:2014-07-02
Release date:2014-09-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:The Crystal Structure of Netrin-1 in Complex with Dcc Reveals the Bi-Functionality of Netrin-1 as a Guidance Cue
Neuron, 83, 2014
3C0X
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BU of 3c0x by Molmil
I-SceI in complex with a top nicked DNA substrate
Descriptor: CALCIUM ION, DNA (5'-D(*DC*DAP*DCP*DGP*DCP*DTP*DAP*DGP*DGP*DGP*DAP*DTP*DAP*DA)-3'), DNA (5'-D(*DG*DGP*DTP*DAP*DTP*DTP*DAP*DCP*DCP*DCP*DTP*DGP*DTP*DTP*DAP*DTP*DCP*DCP*DCP*DTP*DAP*DGP*DCP*DGP*DT)-3'), ...
Authors:Moure, C.M, Gimble, F.S, Quiocho, F.A.
Deposit date:2008-01-21
Release date:2008-05-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of I-SceI complexed to nicked DNA substrates: snapshots of intermediates along the DNA cleavage reaction pathway.
Nucleic Acids Res., 36, 2008
1GW6
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BU of 1gw6 by Molmil
STRUCTURE OF LEUKOTRIENE A4 HYDROLASE D375N MUTANT
Descriptor: 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, ACETATE ION, IMIDAZOLE, ...
Authors:Rudberg, P.C, Tholander, F, Thunnissen, M.M.G.M, Samuelsson, B, Haeggstrom, J.Z.
Deposit date:2002-03-07
Release date:2003-03-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Leukotriene A4 Hydrolase: Selective Abrogation of Leukotriene B4 Formation by Mutation of Aspartic Acid 375
Proc.Natl.Acad.Sci.USA, 99, 2002
2AA5
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BU of 2aa5 by Molmil
Mineralocorticoid Receptor with Bound Progesterone
Descriptor: Mineralocorticoid receptor, PROGESTERONE
Authors:Bledsoe, R.K, Madauss, K.P, Holt, J.A, Apolito, C.J, Lambert, M.H, Pearce, K.H, Stanley, T.B, Stewart, E.L, Trump, R.P, Willson, T.M, Williams, S.P.
Deposit date:2005-07-13
Release date:2005-07-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A Ligand-mediated Hydrogen Bond Network Required for the Activation of the Mineralocorticoid Receptor
J.Biol.Chem., 280, 2005
5J9F
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BU of 5j9f by Molmil
Human GAR transformylase in complex with GAR and (4-{[2-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl]amino}benzoyl)-L-glutamic acid (AGF183)
Descriptor: GLYCINAMIDE RIBONUCLEOTIDE, N-(4-{[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl]amino}benzene-1-carbonyl)-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3
Authors:Wong, J, Deis, S.M, Dann III, C.E.
Deposit date:2016-04-09
Release date:2016-08-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Tumor Targeting with Novel 6-Substituted Pyrrolo [2,3-d] Pyrimidine Antifolates with Heteroatom Bridge Substitutions via Cellular Uptake by Folate Receptor alpha and the Proton-Coupled Folate Transporter and Inhibition of de Novo Purine Nucleotide Biosynthesis.
J.Med.Chem., 59, 2016
4WA1
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BU of 4wa1 by Molmil
The crystal structure of hemagglutinin from a H3N8 influenza virus isolated from New England harbor seals
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
Authors:Yang, H, Villanueva, J.M, Gubareva, L.V, Stevens, J.
Deposit date:2014-08-28
Release date:2015-01-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.898 Å)
Cite:Structural and Functional Analysis of Surface Proteins from an A(H3N8) Influenza Virus Isolated from New England Harbor Seals.
J.Virol., 89, 2015
5J9H
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BU of 5j9h by Molmil
Crystal structure of Glycoprotein C from Puumala virus in the post-fusion conformation (pH 8.0)
Descriptor: Envelopment polyprotein, SULFATE ION, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Willensky, S, Dessau, M.
Deposit date:2016-04-10
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of Glycoprotein C from a Hantavirus in the Post-fusion Conformation.
Plos Pathog., 12, 2016
1HE3
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BU of 1he3 by Molmil
Human biliverdin IX beta reductase: NADP/mesobiliverdin IV alpha ternary complex
Descriptor: BILIVERDIN IX BETA REDUCTASE, MESOBILIVERDIN IV ALPHA, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Pereira, P.J.B, Macedo-Ribeiro, S, Parraga, A, Perez-Luque, R, Cunningham, O, Darcy, K, Mantle, T.J, Coll, M.
Deposit date:2000-11-18
Release date:2001-02-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure of Human Biliverdin Ix Beta Reductase, an Early Fetal Bilirubin Ix Producing Enzyme
Nat.Struct.Biol., 8, 2001
4UTC
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BU of 4utc by Molmil
Crystal structure of dengue 2 virus envelope glycoprotein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-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, ENVELOPE GLYCOPROTEIN E, ...
Authors:Kikuti, C, Rouvinski, A, Guardado-Calvo, P, Barba-Spaeth, G, Duquerroy, S, Vaney, M.C, Rey, F.A.
Deposit date:2014-07-18
Release date:2015-01-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.08 Å)
Cite:Recognition Determinants of Broadly Neutralizing Human Antibodies Against Dengue Viruses.
Nature, 520, 2015
2AAX
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BU of 2aax by Molmil
Mineralocorticoid Receptor Double Mutant with Bound Cortisone
Descriptor: 17,21-DIHYDROXYPREGNA-1,4-DIENE-3,11,20-TRIONE, Mineralocorticoid receptor, SULFATE ION
Authors:Bledsoe, R.K, Madauss, K.P, Holt, J.A, Apolito, C.J, Lambert, M.H, Pearce, K.H, Stanley, T.B, Stewart, E.L, Trump, R.P, Willson, T.M, Williams, S.P.
Deposit date:2005-07-14
Release date:2005-07-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A Ligand-mediated Hydrogen Bond Network Required for the Activation of the Mineralocorticoid Receptor
J.Biol.Chem., 280, 2005
4UWD
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BU of 4uwd by Molmil
HIF prolyl hydroxylase 2 (PHD2/ EGLN1) D315E VARIANT in complex with Mn(II) and N-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]glycine (IOX3/UN9)
Descriptor: EGL NINE HOMOLOG 1, MANGANESE (II) ION, N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL]GLYCINE
Authors:Chowdhury, R, Tarhonskaya, H, Schofield, C.J.
Deposit date:2014-08-11
Release date:2014-08-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.721 Å)
Cite:Investigating the Contribution of the Active Site Environment to the Slow Reaction of Hypoxia-Inducible Factor Prolyl Hydroxylase Domain 2 with Oxygen.
Biochem.J., 463, 2014
4USW
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BU of 4usw by Molmil
Crystal structure of human soluble Adenylyl Cyclase with ATP
Descriptor: ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ADENYLATE CYCLASE TYPE 10, ...
Authors:Kleinboelting, S, Steegborn, C.
Deposit date:2014-07-13
Release date:2014-07-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural Analysis of Human Soluble Adenylyl Cyclase and Crystal Structures of its Nucleotide Complexes -Implications for Cyclase Catalysis and Evolution.
FEBS J., 281, 2014
6FKB
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BU of 6fkb by Molmil
Crystal structure of N2C/D282C stabilized opsin bound to RS13
Descriptor: 2-(4-chlorophenyl)-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-ethanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, PALMITIC ACID, ...
Authors:Mattle, D, Standfuss, J, Dawson, R.
Deposit date:2018-01-23
Release date:2018-04-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:Ligand channel in pharmacologically stabilized rhodopsin.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4UT5
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BU of 4ut5 by Molmil
Crystal structure of the LecB lectin from Pseudomonas aeruginosa strain PA7 in complex with lewis a tetrasaccharide
Descriptor: CALCIUM ION, LECB LECTIN, beta-D-galactopyranose, ...
Authors:Boukerb, A.M, Decor, A, Tabaroni, R, Varrot, A, Debentzmann, S, Vidal, S, Imberty, A, Cournoyer, B.
Deposit date:2014-07-18
Release date:2015-07-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Genomic Rearrangements and Functional Diversification of Leca and Lecb Lectin-Coding Regions Impacting the Efficacy of Glycomimetics Directed Against Pseudomonas Aeruginosa.
Front.Microbiol., 7, 2016
2A0Y
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BU of 2a0y by Molmil
Structure of human purine nucleoside phosphorylase H257D mutant
Descriptor: 7-[[(3R,4R)-3-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-ium-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one, Purine nucleoside phosphorylase, SULFATE ION
Authors:Murkin, A.S, Shi, W, Schramm, V.L.
Deposit date:2005-06-17
Release date:2006-06-06
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Neighboring group participation in the transition state of human purine nucleoside phosphorylase.
Biochemistry, 46, 2007
4UZ7
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BU of 4uz7 by Molmil
STRUCTURE OF THE WNT DEACYLASE NOTUM - CRYSTAL FORM VI - 2.2A
Descriptor: CHLORIDE ION, PROTEIN NOTUM HOMOLOG
Authors:Zebisch, M, Jones, E.Y.
Deposit date:2014-09-04
Release date:2015-02-25
Last modified:2015-03-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Notum Deacylates Wnt Proteins to Suppress Signalling Activity.
Nature, 519, 2015
4DVQ
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BU of 4dvq by Molmil
Structure of human aldosterone synthase, CYP11B2, in complex with deoxycorticosterone
Descriptor: Cytochrome P450 11B2, mitochondrial, DESOXYCORTICOSTERONE, ...
Authors:Strushkevich, N, Shen, L, Tempel, W, Arrowsmith, C, Edwards, A, Usanov, S.A, Park, H.-W.
Deposit date:2012-02-23
Release date:2013-01-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structural insights into aldosterone synthase substrate specificity and targeted inhibition.
Mol.Endocrinol., 27, 2013

223532

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