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1IZ7
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BU of 1iz7 by Molmil
Re-refinement of the structure of hydrolytic haloalkane dehalogenase linb from sphingomonas paucimobilis UT26 AT 1.6 A resolution
Descriptor: CALCIUM ION, CHLORIDE ION, HALOALKANE DEHALOGENASE, ...
Authors:Streltsov, V.A.
Deposit date:2002-09-30
Release date:2002-10-16
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Haloalkane dehalogenase LinB from Sphingomonas paucimobilis UT26: X-ray crystallographic studies of dehalogenation of brominated substrates
Biochemistry, 42, 2003
1IZ8
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BU of 1iz8 by Molmil
Re-refinement of the structure of hydrolytic haloalkane dehalogenase linb from sphingomonas paucimobilis UT26 with 1,3-propanediol, a product of debromidation of dibrompropane, at 2.0A resolution
Descriptor: 1,3-PROPANDIOL, BROMIDE ION, CALCIUM ION, ...
Authors:Streltsov, V.A.
Deposit date:2002-09-30
Release date:2002-10-16
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Haloalkane dehalogenase LinB from Sphingomonas paucimobilis UT26: X-ray crystallographic studies of dehalogenation of brominated substrates
Biochemistry, 42, 2003
4WO1
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BU of 4wo1 by Molmil
Crystal structure of the DAP12 transmembrane domain in lipid cubic phase
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CALCIUM ION, TYRO protein tyrosine kinase-binding protein
Authors:Call, M.J, Call, M.E, Knoblich, K.
Deposit date:2014-10-15
Release date:2015-06-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Transmembrane Complexes of DAP12 Crystallized in Lipid Membranes Provide Insights into Control of Oligomerization in Immunoreceptor Assembly.
Cell Rep, 11, 2015
4WOL
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BU of 4wol by Molmil
Crystal Structure of the DAP12 transmembrane domain in lipidic cubic phase
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, POTASSIUM ION, TYRO protein tyrosine kinase-binding protein
Authors:Call, M.J, Call, M.E, Knoblich, K.
Deposit date:2014-10-16
Release date:2015-06-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Transmembrane Complexes of DAP12 Crystallized in Lipid Membranes Provide Insights into Control of Oligomerization in Immunoreceptor Assembly.
Cell Rep, 11, 2015
4OVL
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BU of 4ovl by Molmil
Interrogating HIV integrase for compounds that bind- a SAMPL challenge
Descriptor: 1,2-ETHANEDIOL, 3-[(E)-(2-oxidanylidene-1H-indol-3-ylidene)methyl]benzoic acid, ACETIC ACID, ...
Authors:Peat, T.S.
Deposit date:2013-11-21
Release date:2014-03-05
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Interrogating HIV integrase for compounds that bind--a SAMPL challenge.
J. Comput. Aided Mol. Des., 28, 2014
4XG1
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BU of 4xg1 by Molmil
Psychromonas ingrahamii diaminopimelate decarboxylase with LLP
Descriptor: (2S)-2-amino-6-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]hexanoic acid, Diaminopimelate decarboxylase, POTASSIUM ION, ...
Authors:Peverelli, M.G, Wubben, J.M, Panjikar, S, Perugini, M.A.
Deposit date:2014-12-30
Release date:2016-03-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Expression to crystallization of diaminopimelate decarboxylase from the psychrophile Psychromonas ingrahamii
To Be Published
1FMD
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BU of 1fmd by Molmil
THE STRUCTURE AND ANTIGENICITY OF A TYPE C FOOT-AND-MOUTH DISEASE VIRUS
Descriptor: FOOT-AND-MOUTH DISEASE VIRUS (SUBUNIT VP1), FOOT-AND-MOUTH DISEASE VIRUS (SUBUNIT VP2), FOOT-AND-MOUTH DISEASE VIRUS (SUBUNIT VP3), ...
Authors:Lea, S, Fry, E, Stuart, D.
Deposit date:1994-02-10
Release date:1994-08-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:The structure and antigenicity of a type C foot-and-mouth disease virus.
Structure, 2, 1994
7K4O
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BU of 7k4o by Molmil
Tannin acyl hydrolase from Aspergillus niger
Descriptor: 2-[2-(2-ethoxyethoxy)ethoxy]ethanol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ren, B.
Deposit date:2020-09-15
Release date:2021-03-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of fungal tannase from Aspergillus niger.
Acta Crystallogr D Struct Biol, 77, 2021
7TZJ
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BU of 7tzj by Molmil
SARS CoV-2 PLpro in complex with inhibitor 3k
Descriptor: DIMETHYL SULFOXIDE, N-[(3-fluorophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide, Papain-like protease, ...
Authors:Calleja, D.J, Klemm, T, Lechtenberg, B.C, Kuchel, N.W, Lessene, G, Komander, D.
Deposit date:2022-02-15
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Insights Into Drug Repurposing, as Well as Specificity and Compound Properties of Piperidine-Based SARS-CoV-2 PLpro Inhibitors.
Front Chem, 10, 2022
7B3Y
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BU of 7b3y by Molmil
Structure of a nanoparticle for a COVID-19 vaccine candidate
Descriptor: Fibronectin binding protein,2-dehydro-3-deoxyphosphogluconate aldolase/4-hydroxy-2-oxoglutarate aldolase
Authors:Duyvesteyn, H.M.E, Stuart, D.I.
Deposit date:2020-12-01
Release date:2021-01-13
Last modified:2021-02-03
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:A COVID-19 vaccine candidate using SpyCatcher multimerization of the SARS-CoV-2 spike protein receptor-binding domain induces potent neutralising antibody responses.
Nat Commun, 12, 2021
5MU6
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BU of 5mu6 by Molmil
Human N-myristoyltransferase (NMT1) with Myristoyl-CoA and IMP-1088 inhibitor bound
Descriptor: 1-[5-[3,4-bis(fluoranyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-1-methyl-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine, GLYCEROL, Glycylpeptide N-tetradecanoyltransferase 1, ...
Authors:Perez-Dorado, I, Bell, A.S, Tate, E.W.
Deposit date:2017-01-12
Release date:2018-02-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Fragment-derived inhibitors of human N-myristoyltransferase block capsid assembly and replication of the common cold virus.
Nat Chem, 10, 2018
1QGC
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BU of 1qgc by Molmil
STRUCTURE OF THE COMPLEX OF A FAB FRAGMENT OF A NEUTRALIZING ANTIBODY WITH FOOT AND MOUTH DISEASE VIRUS
Descriptor: PROTEIN (GH-LOOP FROM VIRUS CAPSID PROTEIN VP1), PROTEIN (IMMUNOGLOBULIN HEAVY CHAIN), PROTEIN (IMMUNOGLOBULIN LIGHT CHAIN), ...
Authors:Fita, I.
Deposit date:1999-04-23
Release date:2000-01-26
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (30 Å)
Cite:Structure of the complex of an Fab fragment of a neutralizing antibody with foot-and-mouth disease virus: positioning of a highly mobile antigenic loop.
EMBO J., 16, 1997
6PGE
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BU of 6pge by Molmil
WDR5delta32 bound to ethyl 3-(4-(hydroxymethyl)-1H-imidazol-2-yl)propanoate
Descriptor: 1,2-ETHANEDIOL, SULFATE ION, WD repeat-containing protein 5, ...
Authors:Dennis, M.L, Peat, T.S.
Deposit date:2019-06-24
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019
6PG7
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BU of 6pg7 by Molmil
WDR5delta32 bound to (2-(3-methoxy-3-phenylpropyl)-1H-imidazol-4-yl)methanol
Descriptor: DI(HYDROXYETHYL)ETHER, WD repeat-containing protein 5, {2-[(3S)-3-methoxy-3-phenylpropyl]-1H-imidazol-4-yl}methanol
Authors:Dennis, M.L, Peat, T.S.
Deposit date:2019-06-24
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019
6PGD
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BU of 6pgd by Molmil
WDR5delta32 bound to peptidomimetic
Descriptor: N-acetyl-L-alanyl-5-[5-(hydroxymethyl)-1H-imidazol-2-yl]-L-norvalyl-L-valinamide, SULFATE ION, WD repeat-containing protein 5
Authors:Dennis, M.L, Peat, T.S.
Deposit date:2019-06-24
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019
6PGC
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BU of 6pgc by Molmil
WDR5delta32 bound to methyl benzyl(4-(4-(hydroxymethyl)-1H-imidazol-2-yl)butyl)carbamate
Descriptor: SULFATE ION, WD repeat-containing protein 5, methyl benzyl{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate
Authors:Dennis, M.L, Peat, T.S.
Deposit date:2019-06-24
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019
6PG6
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BU of 6pg6 by Molmil
WDR5delta23 bound to N-(4-(5-(hydroxymethyl)-1H-imidazol-2-yl)butyl)acetamide
Descriptor: CHLORIDE ION, N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}acetamide, SULFATE ION, ...
Authors:Dennis, M.L, Peat, T.S.
Deposit date:2019-06-24
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019
6PGF
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BU of 6pgf by Molmil
WDR5delta32 bound to N-(4-(4-(hydroxymethyl)-1H-imidazol-2-yl)butyl)acrylamide
Descriptor: N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}prop-2-enamide, SULFATE ION, WD repeat-containing protein 5
Authors:Dennis, M.L, Peat, T.S.
Deposit date:2019-06-24
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019
6PG5
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BU of 6pg5 by Molmil
WDR5delta32 bound to benzyl (4-(5-(hydroxymethyl)-1H-imidazol-2-yl)butyl)carbamate
Descriptor: SULFATE ION, WD repeat-containing protein 5, benzyl {4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate
Authors:Dennis, M.L, Peat, T.S.
Deposit date:2019-06-24
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019
6PGB
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BU of 6pgb by Molmil
WDR5delta32 bound to N-(4-(5-(hydroxymethyl)-1H-imidazol-2-yl)butyl)-2-phenylacetamide
Descriptor: N-{4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}-2-phenylacetamide, SULFATE ION, WD repeat-containing protein 5
Authors:Dennis, M.L, Peat, T.S.
Deposit date:2019-06-24
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019
6PG3
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BU of 6pg3 by Molmil
WDR5delta23 bound to (2-butyl-1H-imidazol-4-yl)methanol
Descriptor: (2-butyl-1H-imidazol-4-yl)methanol, WD repeat-containing protein 5
Authors:Dennis, M.L, Peat, T.S.
Deposit date:2019-06-24
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019
6PG4
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BU of 6pg4 by Molmil
WDR5delta32 bound to (2-methyl-1H-imidazol-4-yl)methanol
Descriptor: (2-methyl-1H-imidazol-4-yl)methanol, SULFATE ION, WD repeat-containing protein 5
Authors:Dennis, M.L, Peat, T.S.
Deposit date:2019-06-24
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019
6PG9
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BU of 6pg9 by Molmil
WDR5delta23 bound to N-(4-(5-(hydroxymethyl)-1H-imidazol-2-yl)butyl)benzamide
Descriptor: N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}benzamide, WD repeat-containing protein 5
Authors:Dennis, M.L, Peat, T.S.
Deposit date:2019-06-24
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019
6PG8
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BU of 6pg8 by Molmil
WDR5delta23 bound to (2-(3-phenylpropyl)-1H-imidazol-4-yl)methanol
Descriptor: CHLORIDE ION, SULFATE ION, WD repeat-containing protein 5, ...
Authors:Dennis, M.L, Peat, T.S.
Deposit date:2019-06-24
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019
6PGA
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BU of 6pga by Molmil
WDR5delta32 bound to methyl (4-(4-(hydroxymethyl)-1H-imidazol-2-yl)butyl)carbamate
Descriptor: SULFATE ION, WD repeat-containing protein 5, methyl {4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate
Authors:Dennis, M.L, Peat, T.S.
Deposit date:2019-06-24
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019

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