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3ZZM
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BU of 3zzm by Molmil
Crystal structure of Mycobacterium tuberculosis PurH with a novel bound nucleotide CFAIR, at 2.2 A resolution.
Descriptor: 5-(FORMYLAMINO)-1-(5-O-PHOSPHONO-BETA-D-RIBOFURANOSYL)-1H-IMIDAZOLE-4-CARBOXYLIC ACID, BIFUNCTIONAL PURINE BIOSYNTHESIS PROTEIN PURH, GLYCEROL, ...
Authors:Le Nours, J, Bulloch, E.M.M, Zhang, Z, Greenwood, D.R, Middleditch, M.J, Dickson, J.M.J, Baker, E.N.
Deposit date:2011-09-02
Release date:2011-09-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Analyses of a Purine Biosynthetic Enzyme from Mycobacterium Tuberculosis Reveal a Novel Bound Nucleotide.
J.Biol.Chem., 286, 2011
4A1O
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BU of 4a1o by Molmil
Crystal structure of Mycobacterium tuberculosis PurH complexed with AICAR and a novel nucleotide CFAIR, at 2.48 A resolution.
Descriptor: 5-(FORMYLAMINO)-1-(5-O-PHOSPHONO-BETA-D-RIBOFURANOSYL)-1H-IMIDAZOLE-4-CARBOXYLIC ACID, AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, BIFUNCTIONAL PURINE BIOSYNTHESIS PROTEIN PURH, ...
Authors:Le Nours, J, Bulloch, E.M.M, Zhang, Z, Greenwood, D.R, Middleditch, M.J, Dickson, J.M.J, Baker, E.N.
Deposit date:2011-09-17
Release date:2011-09-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Structural Analyses of a Purine Biosynthetic Enzyme from Mycobacterium Tuberculosis Reveal a Novel Bound Nucleotide.
J.Biol.Chem., 286, 2011
8G8P
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BU of 8g8p by Molmil
F420-2/GTP(GDP) complex of F420-gamma glutamyl ligase (CofE) from Archaeoglobus fulgidus
Descriptor: COENZYME F420, Coenzyme F420:L-glutamate ligase, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Bashiri, G, Squire, C.J.
Deposit date:2023-02-18
Release date:2024-02-28
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Poly-gamma-glutamylation of biomolecules.
Nat Commun, 15, 2024
3KLQ
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BU of 3klq by Molmil
Crystal Structure of the Minor Pilin FctB from Streptococcus pyogenes 90/306S
Descriptor: GLYCEROL, Putative pilus anchoring protein
Authors:Linke, C, Young, P.G, Bunker, R.D, Caradoc-Davies, T.T, Baker, E.N.
Deposit date:2009-11-08
Release date:2010-04-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the minor pilin FctB reveals determinants of Group A streptococcal pilus anchoring
J.Biol.Chem., 285, 2010
4PMK
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BU of 4pmk by Molmil
Crystal structure of kiwellin
Descriptor: CHLORIDE ION, Kiwellin
Authors:Hamiaux, C, Baker, E.N, Atkinson, R.G.
Deposit date:2014-05-22
Release date:2014-08-13
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of kiwellin, a major cell-wall protein from kiwifruit.
J.Struct.Biol., 187, 2014
6XPP
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BU of 6xpp by Molmil
Crystal structure of itaconate modified Mycobaterium tuberculosis isocitrate lyase
Descriptor: 2-methylidenebutanedioic acid, Isocitrate lyase, MAGNESIUM ION
Authors:Kwai, B.X.C, Bashiri, G, Leung, I.K.H.
Deposit date:2020-07-08
Release date:2020-10-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Itaconate is a covalent inhibitor of the Mycobacterium tuberculosis isocitrate lyase.
Rsc Med Chem, 12, 2021
5U6F
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BU of 5u6f by Molmil
Bacterial adhesin from Mobiluncus mulieris containing intramolecular disulfide, isopeptide, and ester bond cross-links (space group P21)
Descriptor: LPXTG-motif cell wall anchor domain protein
Authors:Paynter, J, Young, P.G, Squire, C.J.
Deposit date:2016-12-07
Release date:2018-06-13
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Domain structure and cross-linking in a giant adhesin from the Mobiluncus mulieris bacterium.
Acta Crystallogr D Struct Biol, 79, 2023
5U5O
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BU of 5u5o by Molmil
Bacterial adhesin from Mobiluncus mulieris containing intramolecular disulfide, isopeptide, and ester bond cross-links (space group P1)
Descriptor: LPXTG-motif cell wall anchor domain protein
Authors:Paynter, J, Young, P.G, Squire, C.J.
Deposit date:2016-12-07
Release date:2018-06-13
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Domain structure and cross-linking in a giant adhesin from the Mobiluncus mulieris bacterium.
Acta Crystallogr D Struct Biol, 79, 2023
4C0Z
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BU of 4c0z by Molmil
The N-terminal domain of the Streptococcus pyogenes pilus tip adhesin Cpa
Descriptor: ANCILLARY PROTEIN 2, CHLORIDE ION, GLYCEROL, ...
Authors:Linke-Winnebeck, C, Paterson, N, Baker, E.N.
Deposit date:2013-08-08
Release date:2013-11-20
Last modified:2014-01-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Model for the Covalent Adhesion of the Streptococcus Pyogenes Pilus Through a Thioester Bond.
J.Biol.Chem., 289, 2014
7ULE
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BU of 7ule by Molmil
F420-1/GDP complex of F420-gamma glutamyl ligase (CofE) from Archaeoglobus fulgidus
Descriptor: (2~{S})-2-[[(2~{S})-2-[oxidanyl-[(2~{R},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-[2,4,8-tris(oxidanylidene)-1,9-dihydropyrimido[4,5-b]quinolin-10-yl]pentoxy]phosphoryl]oxypropanoyl]amino]pentanedioic acid, Coenzyme F420:L-glutamate ligase, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Bashiri, G, Squire, C.J.
Deposit date:2022-04-04
Release date:2023-04-12
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Poly-gamma-glutamylation of biomolecules.
Nat Commun, 15, 2024
7ULD
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BU of 7uld by Molmil
GTP complex of F420-gamma glutamyl ligase (CofE) from Archaeoglobus fulgidus
Descriptor: CARBONATE ION, Coenzyme F420:L-glutamate ligase, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Bashiri, G, Squire, C.J.
Deposit date:2022-04-04
Release date:2023-04-12
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Poly-gamma-glutamylation of biomolecules.
Nat Commun, 15, 2024
7ULF
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BU of 7ulf by Molmil
l-glutamate/GTP complex of F420-gamma glutamyl ligase (CofE) from Archaeoglobus fulgidus
Descriptor: Coenzyme F420:L-glutamate ligase, GAMMA-L-GLUTAMIC ACID, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Bashiri, G, Squire, C.J.
Deposit date:2022-04-04
Release date:2023-04-12
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Poly-gamma-glutamylation of biomolecules.
Nat Commun, 15, 2024
6MZQ
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BU of 6mzq by Molmil
TAS-120 in reversible binding mode with FGFR1
Descriptor: 1-[(3S)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]prop-2-en-1-one, Fibroblast growth factor receptor 1
Authors:Kalyukina, M, Squire, C.J.
Deposit date:2018-11-05
Release date:2019-01-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:TAS-120 Cancer Target Binding: Defining Reactivity and Revealing the First Fibroblast Growth Factor Receptor 1 (FGFR1) Irreversible Structure.
ChemMedChem, 14, 2019
6MZW
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BU of 6mzw by Molmil
TAS-120 covalent complex with FGFR1
Descriptor: 1-[(3S)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]prop-2-en-1-one, Fibroblast growth factor receptor 1, SULFATE ION
Authors:Kalyukina, M, Squire, C.J.
Deposit date:2018-11-05
Release date:2019-01-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:TAS-120 Cancer Target Binding: Defining Reactivity and Revealing the First Fibroblast Growth Factor Receptor 1 (FGFR1) Irreversible Structure.
ChemMedChem, 14, 2019
6NVJ
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BU of 6nvj by Molmil
FGFR4 complex with N-(2-((5-((2,6-dichloro-3,5-dimethoxybenzyl)oxy)pyrimidin-2-yl)amino)-3-fluorophenyl)acrylamide
Descriptor: Fibroblast growth factor receptor 4, N-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-fluorophenyl]propanamide, SULFATE ION
Authors:Lin, X, Smaill, J.B, Squire, C.J, Yosaatmadja, Y.
Deposit date:2019-02-05
Release date:2019-07-10
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Rotational Freedom, Steric Hindrance, and Protein Dynamics Explain BLU554 Selectivity for the Hinge Cysteine of FGFR4.
Acs Med.Chem.Lett., 10, 2019
6NVL
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BU of 6nvl by Molmil
FGFR1 complex with N-(2-((5-((2,6-dichloro-3,5-dimethoxybenzyl)oxy)pyrimidin-2-yl)amino)-3-methylphenyl)acrylamide
Descriptor: Fibroblast growth factor receptor 1, N-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-methylphenyl]propanamide, SULFATE ION
Authors:Lin, X, Smaill, J.B, Squire, C.J.
Deposit date:2019-02-05
Release date:2019-07-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Rotational Freedom, Steric Hindrance, and Protein Dynamics Explain BLU554 Selectivity for the Hinge Cysteine of FGFR4.
Acs Med.Chem.Lett., 10, 2019
6NVG
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BU of 6nvg by Molmil
FGFR4 complex with N-(3,5-dichloro-2-((5-((2,6-dichloro-3,5-dimethoxybenzyl)oxy)pyrimidin-2-yl)amino)phenyl)acrylamide
Descriptor: Fibroblast growth factor receptor 4, N-[3,5-dichloro-2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)phenyl]propanamide, SULFATE ION
Authors:Lin, X, Smaill, J.B, Squire, C.J, Yosaatmadja, Y.
Deposit date:2019-02-05
Release date:2019-07-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Rotational Freedom, Steric Hindrance, and Protein Dynamics Explain BLU554 Selectivity for the Hinge Cysteine of FGFR4.
Acs Med.Chem.Lett., 10, 2019
6NVK
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BU of 6nvk by Molmil
FGFR4 complex with BLU-554, N-((3S,4S)-3-((6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl)amino)tetrahydro-2H-pyran-4-yl)acrylamide
Descriptor: Fibroblast growth factor receptor 4, N-[(3S,4S)-3-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino}oxan-4-yl]propanamide, SULFATE ION
Authors:Lin, X, Smaill, J.B, Squire, C.J, Yosaatmadja, Y.
Deposit date:2019-02-05
Release date:2019-07-10
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Rotational Freedom, Steric Hindrance, and Protein Dynamics Explain BLU554 Selectivity for the Hinge Cysteine of FGFR4.
Acs Med.Chem.Lett., 10, 2019
6NVI
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BU of 6nvi by Molmil
FGFR4 complex with N-(3-chloro-2-((5-((2,6-dichloro-3,5-dimethoxybenzyl)oxy)pyrimidin-2-yl)amino)-5-fluorophenyl)acrylamide
Descriptor: Fibroblast growth factor receptor 4, N-[3-chloro-2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-5-fluorophenyl]propanamide, SULFATE ION
Authors:Lin, X, Smaill, J.B, Squire, C.J, Yosaatmadja, Y.
Deposit date:2019-02-05
Release date:2019-07-10
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.117 Å)
Cite:Rotational Freedom, Steric Hindrance, and Protein Dynamics Explain BLU554 Selectivity for the Hinge Cysteine of FGFR4.
Acs Med.Chem.Lett., 10, 2019
6NVH
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BU of 6nvh by Molmil
FGFR4 complex with N-(2-((5-((2,6-dichloro-3,5-dimethoxybenzyl)oxy)pyrimidin-2-yl)amino)-3-methylphenyl)acrylamide
Descriptor: Fibroblast growth factor receptor 4, N-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-methylphenyl]propanamide, SULFATE ION
Authors:Lin, X, Smaill, J.B, Squire, C.J.
Deposit date:2019-02-05
Release date:2019-07-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rotational Freedom, Steric Hindrance, and Protein Dynamics Explain BLU554 Selectivity for the Hinge Cysteine of FGFR4.
Acs Med.Chem.Lett., 10, 2019

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