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6DA0
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Crystal structure of glucokinase (NfHK) from Naegleria fowleri
Descriptor: Glucokinase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, beta-D-glucopyranose
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2018-05-01
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Enzymatic and Structural Characterization of theNaegleria fowleriGlucokinase.
Antimicrob.Agents Chemother., 63, 2019
8DDK
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BU of 8ddk by Molmil
CCHFV GP38 Hoti/Kosovo bound with CC5_17
Descriptor: Envelopment polyprotein, Heavy Chain CC5-17, Light Chain CC5_17, ...
Authors:Durie, I.A, Bergeron, E, Pegan, S.D, McGuire, J.
Deposit date:2022-06-18
Release date:2022-12-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.86 Å)
Cite:Structural characterization of protective non-neutralizing antibodies targeting Crimean-Congo hemorrhagic fever virus.
Nat Commun, 13, 2022
1W1I
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BU of 1w1i by Molmil
Crystal structure of dipeptidyl peptidase IV (DPPIV or CD26) in complex with adenosine deaminase
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 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, ...
Authors:Weihofen, W.A, Liu, J, Reutter, W, Saenger, W, Fan, H.
Deposit date:2004-06-22
Release date:2004-09-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:Crystal structure of CD26/dipeptidyl-peptidase IV in complex with adenosine deaminase reveals a highly amphiphilic interface.
J. Biol. Chem., 279, 2004
8OS6
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BU of 8os6 by Molmil
Structure of a GFRA1/GDNF LICAM complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 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, ...
Authors:Houghton, F.M, Adams, S.E, Briggs, D.C, McDonald, N.Q.
Deposit date:2023-04-18
Release date:2023-11-29
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Architecture and regulation of a GDNF-GFR alpha 1 synaptic adhesion assembly.
Nat Commun, 14, 2023
3NKR
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BU of 3nkr by Molmil
Crystal structure of mouse autotaxin in complex with 22:6-LPA
Descriptor: (2R)-2-hydroxy-3-(phosphonooxy)propyl (4Z,7E,10E,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Nishimasu, H, Ishitani, R, Mihara, E, Takagi, J, Aoki, J, Nureki, O.
Deposit date:2010-06-20
Release date:2011-01-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.704 Å)
Cite:Crystal structure of autotaxin and insight into GPCR activation by lipid mediators
Nat.Struct.Mol.Biol., 18, 2011
8OPX
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BU of 8opx by Molmil
Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Trehalose (Fragment-B-TRE)
Descriptor: 3-hydroxyacyl-CoA dehydrogenase, Putative acyltransferase Rv0859, SULFATE ION, ...
Authors:Dalwani, S, Wierenga, R.K, Venkatesan, R.
Deposit date:2023-04-10
Release date:2024-01-24
Last modified:2024-08-14
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystallographic fragment-binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate-channeling path between them.
Acta Crystallogr D Struct Biol, 80, 2024
6FGO
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BU of 6fgo by Molmil
Fc in complex with engineered calcium binding domain Z
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Venskutonyte, R, Kanje, S, Hober, S, Lindkvist-Petersson, K.
Deposit date:2018-01-11
Release date:2018-06-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Protein Engineering Allows for Mild Affinity-based Elution of Therapeutic Antibodies.
J. Mol. Biol., 430, 2018
3HTP
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BU of 3htp by Molmil
the hemagglutinin structure of an avian H1N1 influenza A virus in complex with LSTa
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
Authors:Wang, G, Li, A, Zhang, Q, Wu, C, Zhang, R, Cai, Q, Song, W, Yuen, K.-Y.
Deposit date:2009-06-12
Release date:2009-08-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:The hemagglutinin structure of an avian H1N1 influenza A virus
Virology, 392, 2009
8P0I
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BU of 8p0i by Molmil
Crystal structure of the open conformation of insulin-regulated aminopeptidase in complex with a small-MW inhibitor
Descriptor: 2-[2-(3,5-dimethylpyrazol-1-yl)-6-(4-methoxyphenyl)pyrimidin-4-yl]oxy-N-methyl-N-[(2-methylpyridin-3-yl)methyl]ethanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Mpakali, A, Giastas, P, Stratikos, E.
Deposit date:2023-05-10
Release date:2024-09-04
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Stabilization of the open conformation omicron f insulin-regulated aminopeptidase by a novel substrate-selective small-molecule inhibitor.
Protein Sci., 33, 2024
6EA2
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BU of 6ea2 by Molmil
X-ray crystal structure of Pf-M1 in complex with inhibitor (6h) and catalytic zinc ion
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2018-08-02
Release date:2018-12-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases.
J. Med. Chem., 62, 2019
5KV9
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BU of 5kv9 by Molmil
Crystal structure of a hPIV haemagglutinin-neuraminidase-inhibitor complex
Descriptor: 1,2-ETHANEDIOL, 2,6-anhydro-3,4,5-trideoxy-5-[(2-methylpropanoyl)amino]-4-(4-phenyl-1H-1,2,3-triazol-1-yl)-D-glycero-D-galacto-non-2-en onic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Dirr, L, El-Deeb, I.M, Chavas, L.M.G, Guillon, P, von Itzstein, M.
Deposit date:2016-07-13
Release date:2017-07-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:The impact of the butterfly effect on human parainfluenza virus haemagglutinin-neuraminidase inhibitor design.
Sci Rep, 7, 2017
6EAA
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BU of 6eaa by Molmil
X-ray crystal structure of Pf-M1 in complex with inhibitor (6i) and catalytic zinc ion
Descriptor: GLYCEROL, M1 family aminopeptidase, MAGNESIUM ION, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2018-08-02
Release date:2018-12-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases.
J. Med. Chem., 62, 2019
8F2J
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BU of 8f2j by Molmil
Crystal structure of antibody WRAIR-2134 in complex with SARS-CoV-2 receptor binding domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, ...
Authors:Sankhala, R.S, Joyce, M.G.
Deposit date:2022-11-08
Release date:2023-12-13
Method:X-RAY DIFFRACTION (3.16 Å)
Cite:Antibody Targeting of Conserved Sites of Vulnerability on the SARS-CoV-2 Spike Receptor-Binding Domain.
To Be Published
3KL5
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BU of 3kl5 by Molmil
Structure Analysis of a Xylanase From Glycosyl Hydrolase Family Thirty: Carbohydrate Ligand Complexes Reveal this Family of Enzymes Unique Mechanism of Substrate Specificity and Recognition
Descriptor: 4-O-methyl-alpha-D-glucopyranuronic acid-(1-2)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, Glucuronoxylanase xynC
Authors:St John, F.J, Hurlbert, J.C, Pozharski, E.
Deposit date:2009-11-06
Release date:2010-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Ligand bound structures of a glycosyl hydrolase family 30 glucuronoxylan xylanohydrolase.
J.Mol.Biol., 407, 2011
8PFI
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BU of 8pfi by Molmil
Crystal structure of human TLR8 in complex with compound 34
Descriptor: (3~{S})-~{N}-[4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]morpholine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Toll-like receptor 8, ...
Authors:Faller, M, Zink, F.
Deposit date:2023-06-16
Release date:2023-08-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.785 Å)
Cite:Discovery of the TLR7/8 Antagonist MHV370 for Treatment of Systemic Autoimmune Diseases.
Acs Med.Chem.Lett., 14, 2023
6H7Z
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BU of 6h7z by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a inhibitor RNA 2-65-1
Descriptor: (2~{S})-2-[[(2~{S})-6-[(6-fluoranylpyridin-3-yl)-methyl-amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Motlova, L, Novakova, Z, Barinka, C.
Deposit date:2018-07-31
Release date:2018-12-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:2-Aminoadipic Acid-C(O)-Glutamate Based Prostate-Specific Membrane Antigen Ligands for Potential Use as Theranostics.
ACS Med Chem Lett, 9, 2018
3L3C
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BU of 3l3c by Molmil
Crystal structure of the Bacillus anthracis glmS ribozyme bound to Glc6P
Descriptor: 6-O-phosphono-alpha-D-glucopyranose, GLMS RIBOZYME, MAGNESIUM ION, ...
Authors:Strobel, S.A, Cochrane, J.C, Lipchock, S.V, Smith, K.D.
Deposit date:2009-12-16
Release date:2009-12-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural and chemical basis for glucosamine 6-phosphate binding and activation of the glmS ribozyme
Biochemistry, 48, 2009
6PSO
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BU of 6pso by Molmil
Crystal structure of PsS1_19B C77S in complex with iota-neocarratetraose
Descriptor: 3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose-(1-4)-3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose, CALCIUM ION, CHLORIDE ION, ...
Authors:Hettle, A.G, Boraston, A.B.
Deposit date:2019-07-13
Release date:2019-09-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Insights into the kappa / iota-carrageenan metabolism pathway of some marinePseudoalteromonasspecies.
Commun Biol, 2, 2019
3HZV
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BU of 3hzv by Molmil
Crystal structure of S73-2 antibody in complex with antigen Kdo(2.8)Kdo(2.4)Kdo
Descriptor: 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-8)-3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-4)-prop-2-en-1-yl 3-deoxy-alpha-D-manno-oct-2-ulopyranosidonic acid, MAGNESIUM ION, S73-2 Fab (IgG1k) heavy chain, ...
Authors:Brooks, C.L, Muller-Loennies, S, Borisova, S.N, Brade, L, Kosma, P, Hirama, T, MacKenzie, C.R, Brade, H, Evans, S.V.
Deposit date:2009-06-24
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Antibodies raised against chlamydial lipopolysaccharide antigens reveal convergence in germline gene usage and differential epitope recognition
Biochemistry, 49, 2010
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
8P99
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SARS-CoV-2 S-protein:D614G mutant in 1-up conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1,Spike glycoprotein
Authors:Adhav, A, Forcada-Nadal, A, Marco-Marin, C, Lopez-Redondo, M.L, Llacer, J.L.
Deposit date:2023-06-05
Release date:2023-09-27
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:C-2 Thiophenyl Tryptophan Trimers Inhibit Cellular Entry of SARS-CoV-2 through Interaction with the Viral Spike (S) Protein.
J.Med.Chem., 66, 2023
8OK7
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BU of 8ok7 by Molmil
Variant Surface Glycoprotein VSG558 NTD
Descriptor: Variant surface glycoprotein 558, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zeelen, J.P, Stebbins, C.E, van Straaten, M, Zhong, J.
Deposit date:2023-03-27
Release date:2023-09-13
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:A structural classification of the variant surface glycoproteins of the African trypanosomey.
Plos Negl Trop Dis, 17, 2023
6C6E
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BU of 6c6e by Molmil
Structure of glycolipid aGSA[26,6P] in complex with mouse CD1d
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ...
Authors:Zajonc, D.M, Wang, J.
Deposit date:2018-01-18
Release date:2019-01-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:A molecular switch in mouse CD1d modulates natural killer T cell activation by alpha-galactosylsphingamides.
J.Biol.Chem., 294, 2019
3HZK
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BU of 3hzk by Molmil
Crystal structure of S73-2 antibody in complex with antigen Kdo(2.4)Kdo
Descriptor: 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-4)-prop-2-en-1-yl 3-deoxy-alpha-D-manno-oct-2-ulopyranosidonic acid, MAGNESIUM ION, S73-2 Fab (IgG1k) heavy chain, ...
Authors:Brooks, C.L, Muller-Loennies, S, Borisova, S.N, Brade, L, Kosma, P, Hirama, T, MacKenzie, C.R, Brade, H, Evans, S.V.
Deposit date:2009-06-23
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Antibodies raised against chlamydial lipopolysaccharide antigens reveal convergence in germline gene usage and differential epitope recognition
Biochemistry, 49, 2010
3HZY
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BU of 3hzy by Molmil
Crystal structure of S73-2 antibody in complex with antigen Kdo(2.4)Kdo(2.4)Kdo
Descriptor: 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-4)-3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-4)-prop-2-en-1-yl 3-deoxy-alpha-D-manno-oct-2-ulopyranosidonic acid, MAGNESIUM ION, S73-2 Fab (IgG1k) heavy chain, ...
Authors:Brooks, C.L, Muller-Loennies, S, Borisova, S.N, Brade, L, Kosma, P, Hirama, T, MacKenzie, C.R, Brade, H, Evans, S.V.
Deposit date:2009-06-24
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Antibodies raised against chlamydial lipopolysaccharide antigens reveal convergence in germline gene usage and differential epitope recognition
Biochemistry, 49, 2010

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