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PDB: 115 件
5TTD
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Minor pilin FctB from S. pyogenes with engineered intramolecular isopeptide bond
分子名称: FORMIC ACID, Maltose-binding periplasmic protein,Pilin isopeptide linkage domain protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Young, P.G, Kwon, H, Squire, C.J, Baker, E.N.
登録日2016-11-02
公開日2017-03-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Engineering a Lys-Asn isopeptide bond into an immunoglobulin-like protein domain enhances its stability.
Sci Rep, 7, 2017
5UQ0
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FGFR1 kinase domain complex with fragment 2,2-dimethyl-2,3-dihydrobenzofuran-7-carboxamide
分子名称: 2,2-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide, Fibroblast growth factor receptor 1
著者Paik, W.-K, Squire, C.J.
登録日2017-02-05
公開日2017-02-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Fragment screening diverse active sites
To Be Published
3U6W
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BU of 3u6w by Molmil
Truncated M. tuberculosis LeuA (1-425) complexed with KIV
分子名称: 2-isopropylmalate synthase, 3-METHYL-2-OXOBUTANOIC ACID, GLYCEROL, ...
著者Koon, N, Baker, E.N, Squire, C.J.
登録日2011-10-13
公開日2012-03-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Removal of the C-terminal regulatory domain of alpha-isopropylmalate synthase disrupts functional substrate binding.
Biochemistry, 51, 2012
2QKX
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BU of 2qkx by Molmil
N-acetyl glucosamine 1-phosphate uridyltransferase from Mycobacterium tuberculosis complex with N-acetyl glucosamine 1-phosphate
分子名称: 2-acetamido-2-deoxy-1-O-phosphono-alpha-D-glucopyranose, Bifunctional protein glmU
著者Zhang, Z, Squire, C.J, Baker, E.N, TB Structural Genomics Consortium (TBSGC)
登録日2007-07-11
公開日2008-07-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structure and function of GlmU from Mycobacterium tuberculosis.
Acta Crystallogr.,Sect.D, 65, 2009
5TCV
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BU of 5tcv by Molmil
ACC oxidase complex with substrate 1-aminocyclopropane-1-carboxylic acid
分子名称: 1-AMINOCYCLOPROPANECARBOXYLIC ACID, 1-aminocyclopropane-1-carboxylate oxidase 1, NICKEL (II) ION
著者Gunawardana, D.M, Yosaatmadja, Y, Leung, I.K, Squire, C.J.
登録日2016-09-15
公開日2017-09-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献ACC oxidase complex with substrate 1-aminocyclopropane-1-carboxylic acid
To Be Published
5TCW
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ACC oxidase complex with nickel and acetate
分子名称: 1-aminocyclopropane-1-carboxylate oxidase 1, ACETATE ION, NICKEL (II) ION
著者Gunawardana, D.M, Yosaatmadja, Y, Leung, I.K, Squire, C.J.
登録日2016-09-15
公開日2017-09-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献ACC oxidase complex with substrate 1-aminocyclopropane-1-carboxylic acid
To Be Published
6ANM
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BU of 6anm by Molmil
Structure of D-Leu-D-Phe-2-Abz-D-Ala at 0.64 Angstrom
分子名称: DLE-DPN-BE2-DAL
著者Cameron, A.J, Sarojini, V, Squire, C.J.
登録日2017-08-14
公開日2017-11-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (0.64 Å)
主引用文献Crystal and NMR Structures of a Peptidomimetic beta-Turn That Provides Facile Synthesis of 13-Membered Cyclic Tetrapeptides.
Chem Asian J, 12, 2017
6NVG
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FGFR4 complex with N-(3,5-dichloro-2-((5-((2,6-dichloro-3,5-dimethoxybenzyl)oxy)pyrimidin-2-yl)amino)phenyl)acrylamide
分子名称: 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
著者Lin, X, Smaill, J.B, Squire, C.J, Yosaatmadja, Y.
登録日2019-02-05
公開日2019-07-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献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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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
分子名称: 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
著者Lin, X, Smaill, J.B, Squire, C.J, Yosaatmadja, Y.
登録日2019-02-05
公開日2019-07-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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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FGFR4 complex with N-(3-chloro-2-((5-((2,6-dichloro-3,5-dimethoxybenzyl)oxy)pyrimidin-2-yl)amino)-5-fluorophenyl)acrylamide
分子名称: 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
著者Lin, X, Smaill, J.B, Squire, C.J, Yosaatmadja, Y.
登録日2019-02-05
公開日2019-07-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.117 Å)
主引用文献Rotational Freedom, Steric Hindrance, and Protein Dynamics Explain BLU554 Selectivity for the Hinge Cysteine of FGFR4.
Acs Med.Chem.Lett., 10, 2019
6NVJ
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FGFR4 complex with N-(2-((5-((2,6-dichloro-3,5-dimethoxybenzyl)oxy)pyrimidin-2-yl)amino)-3-fluorophenyl)acrylamide
分子名称: Fibroblast growth factor receptor 4, N-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-fluorophenyl]propanamide, SULFATE ION
著者Lin, X, Smaill, J.B, Squire, C.J, Yosaatmadja, Y.
登録日2019-02-05
公開日2019-07-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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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FGFR4 complex with N-(2-((5-((2,6-dichloro-3,5-dimethoxybenzyl)oxy)pyrimidin-2-yl)amino)-3-methylphenyl)acrylamide
分子名称: Fibroblast growth factor receptor 4, N-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-methylphenyl]propanamide, SULFATE ION
著者Lin, X, Smaill, J.B, Squire, C.J.
登録日2019-02-05
公開日2019-07-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Rotational Freedom, Steric Hindrance, and Protein Dynamics Explain BLU554 Selectivity for the Hinge Cysteine of FGFR4.
Acs Med.Chem.Lett., 10, 2019
4MKM
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BU of 4mkm by Molmil
Repeat domains 1 & 2 of Clostridium perfringens Cpe0147
分子名称: CALCIUM ION, Putative surface anchored protein
著者Kwon, H, Squire, C.J, Young, P.G, Baker, E.N.
登録日2013-09-05
公開日2013-12-04
最終更新日2014-02-12
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Autocatalytically generated Thr-Gln ester bond cross-links stabilize the repetitive Ig-domain shaft of a bacterial cell surface adhesin.
Proc.Natl.Acad.Sci.USA, 111, 2014
4JQA
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BU of 4jqa by Molmil
AKR1C2 complex with mefenamic acid
分子名称: 1,2-ETHANEDIOL, 2-[(2,3-DIMETHYLPHENYL)AMINO]BENZOIC ACID, Aldo-keto reductase family 1 member C2, ...
著者Yosaatmadja, Y, Flanagan, J.U, Squire, C.J.
登録日2013-03-20
公開日2014-04-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural basis of NSAID selectivity for the aldo-keto reductase 1C family
To be Published
4JTQ
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AKR1C2 complex with flurbiprofen
分子名称: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C2, FLURBIPROFEN, ...
著者Yosaatmadja, Y, Flanagan, J.U, Squire, C.J.
登録日2013-03-24
公開日2014-04-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural basis of NSAID selectivity for the AKR1C family
To be Published
6MW1
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BU of 6mw1 by Molmil
cyclo-Mle-Phe-Mle-Phe. Pseudoxylallemycin A.
分子名称: Pseudoxylallemycin A
著者Cameron, A.J, Harris, P.W.R, Brimble, M.A, Squire, C.J.
登録日2018-10-29
公開日2019-09-11
実験手法X-RAY DIFFRACTION (0.77 Å)
主引用文献Investigations of the key macrolactamisation step in the synthesis of cyclic tetrapeptide pseudoxylallemycin A.
Org.Biomol.Chem., 17, 2019
6MW2
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BU of 6mw2 by Molmil
cyclo-Mle-Phe-Mle-D-Phe. D-Phe analogue of pseudoxylallemycin A.
分子名称: pseudoxylallemycin A
著者Cameron, A.J, Harris, P.W.R, Brimble, M.A, Squire, C.J.
登録日2018-10-29
公開日2019-09-11
最終更新日2019-10-02
実験手法X-RAY DIFFRACTION (0.77 Å)
主引用文献Investigations of the key macrolactamisation step in the synthesis of cyclic tetrapeptide pseudoxylallemycin A.
Org.Biomol.Chem., 17, 2019
4JQ3
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BU of 4jq3 by Molmil
AKR1C2 complex with zomepirac
分子名称: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C2, L(+)-TARTARIC ACID, ...
著者Yosaatmadja, Y, Flanagan, J.U, Squire, C.J.
登録日2013-03-19
公開日2014-04-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural basis of NSAID selectivity for the aldo-keto reductase 1C family
To be Published
4JQ2
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AKR1C2 complex with sulindac
分子名称: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C2, L(+)-TARTARIC ACID, ...
著者Yosaatmadja, Y, Flanagan, J.U, Squire, C.J.
登録日2013-03-19
公開日2014-04-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural basis of NSAID selectivity for the aldo-keto reductase 1C family
To be Published
4JTR
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BU of 4jtr by Molmil
AKR1C2 complex with ibuprofen
分子名称: (2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid, 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C2, ...
著者Yosaatmadja, Y, Flanagan, J.U, Squire, C.J.
登録日2013-03-24
公開日2014-04-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural basis of NSAID selectivity for the AKR1C family
To be Published
4JQ4
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AKR1C2 complex with indomethacin
分子名称: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C2, INDOMETHACIN, ...
著者Yosaatmadja, Y, Flanagan, J.U, Squire, C.J.
登録日2013-03-19
公開日2014-04-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Structural basis of NSAID selectivity for the aldo-keto reductase 1C family
To be Published
4JQ1
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AKR1C2 complex with naproxen
分子名称: (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid, 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C2, ...
著者Yosaatmadja, Y, Flanagan, J.U, Squire, C.J.
登録日2013-03-19
公開日2014-04-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural basis of NSAID selectivity for the aldo-keto reductase 1C family
To be Published
3TVB
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BU of 3tvb by Molmil
A Highly Symmetric DNA G-4 Quadruplex/drug Complex
分子名称: DAUNOMYCIN, DNA (5'-D(*GP*GP*GP*G)-3'), MAGNESIUM ION, ...
著者Clark, G.R, Pytel, P.D, Squire, C.J.
登録日2011-09-19
公開日2012-03-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献The high-resolution crystal structure of a parallel intermolecular DNA G-4 quadruplex/drug complex employing syn glycosyl linkages.
Nucleic Acids Res., 40, 2012
5U6F
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Bacterial adhesin from Mobiluncus mulieris containing intramolecular disulfide, isopeptide, and ester bond cross-links (space group P21)
分子名称: LPXTG-motif cell wall anchor domain protein
著者Paynter, J, Young, P.G, Squire, C.J.
登録日2016-12-07
公開日2018-06-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献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)
分子名称: LPXTG-motif cell wall anchor domain protein
著者Paynter, J, Young, P.G, Squire, C.J.
登録日2016-12-07
公開日2018-06-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Domain structure and cross-linking in a giant adhesin from the Mobiluncus mulieris bacterium.
Acta Crystallogr D Struct Biol, 79, 2023

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