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PDB: 174 件
6QA4
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ERK2 mini-fragment binding
分子名称: 1~{H}-pyridin-2-one, Mitogen-activated protein kinase 1, SULFATE ION
著者O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H.
登録日2018-12-18
公開日2019-06-26
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
6QAL
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BU of 6qal by Molmil
ERK2 mini-fragment binding
分子名称: 1,1-bis(oxidanylidene)thietan-3-ol, Mitogen-activated protein kinase 1, SULFATE ION
著者O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H.
登録日2018-12-19
公開日2019-03-27
最終更新日2019-05-22
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
6QAW
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BU of 6qaw by Molmil
ERK2 mini-fragment binding
分子名称: Mitogen-activated protein kinase 1, SULFATE ION, [1-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methylazanium
著者O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H.
登録日2018-12-19
公開日2019-03-27
最終更新日2019-05-22
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
6QAQ
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ERK2 mini-fragment binding
分子名称: Mitogen-activated protein kinase 1, SULFATE ION, thiophen-3-ylmethylazanium
著者O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H.
登録日2018-12-19
公開日2019-03-27
最終更新日2019-05-22
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
6QAH
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BU of 6qah by Molmil
ERK2 mini-fragment binding
分子名称: 1-azanylpropylideneazanium, Mitogen-activated protein kinase 1, SULFATE ION
著者O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H.
登録日2018-12-19
公開日2019-06-26
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
6CXO
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BU of 6cxo by Molmil
Complement component-9
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Complement component C9, ...
著者Law, R.H.P, Spicer, B.A, Caradoc-Davies, T.T.
登録日2018-04-03
公開日2018-09-05
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The first transmembrane region of complement component-9 acts as a brake on its self-assembly.
Nat Commun, 9, 2018
6DN7
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SPRY domain-containing SOCS box protein 2 complexed with WDINNN(BAL) Cyclic peptide inhibitor
分子名称: CHLORIDE ION, SPRY domain-containing SOCS box protein 4, WDINNN(BAL) Cyclic peptide inhibitor
著者Law, R.H.P, Caradoc-Davies, T.T, Norton, R.S.
登録日2018-06-06
公開日2019-04-17
最終更新日2020-01-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献A Cyclic Peptide Inhibitor of the iNOS-SPSB Protein-Protein Interaction as a Potential Anti-Infective Agent.
ACS Chem. Biol., 13, 2018
5ULM
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BU of 5ulm by Molmil
Structure of the ASK1 central regulatory region
分子名称: GLYCEROL, Mitogen-activated protein kinase kinase kinase 5
著者Mace, P.D, Kumar, A, Caradoc-Davies, T.T.
登録日2017-01-24
公開日2017-03-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis of autoregulatory scaffolding by apoptosis signal-regulating kinase 1.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6DN6
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SPRY domain-containing SOCS box protein 2 complexed with INNN(ABU) cyclic peptide inhibitor
分子名称: INNN(ABU) cyclic peptide inhibitor, SPRY domain-containing SOCS box protein 2
著者Law, R.H.P, Caradoc-Davies, T.T, Norton, R.S.
登録日2018-06-06
公開日2019-04-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献A Cyclic Peptide Inhibitor of the iNOS-SPSB Protein-Protein Interaction as a Potential Anti-Infective Agent.
ACS Chem. Biol., 13, 2018
3OVU
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BU of 3ovu by Molmil
Crystal Structure of Human Alpha-Haemoglobin Complexed with AHSP and the First NEAT Domain of IsdH from Staphylococcus aureus
分子名称: Alpha-hemoglobin-stabilizing protein, Hemoglobin subunit alpha, Iron-regulated surface determinant protein H, ...
著者Jacques, D.A, Krishna Kumar, K, Caradoc-Davies, T.T, Langley, D.B, Mackay, J.P, Guss, J.M, Gell, D.A.
登録日2010-09-17
公開日2011-09-21
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献A new haem pocket structure in alpha-haemoglobin
To be Published
3JZ4
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BU of 3jz4 by Molmil
Crystal structure of E. coli NADP dependent enzyme
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Succinate-semialdehyde dehydrogenase [NADP+]
著者Langendorf, C.G, Key, T.L.G, Fenalti, G, Kan, W.T, Buckle, A.M, Caradoc-Davies, T, Tuck, K.L, Law, R.H.P, Whisstock, J.C.
登録日2009-09-22
公開日2010-03-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The X-ray crystal structure of Escherichia coli succinic semialdehyde dehydrogenase; structural insights into NADP+/enzyme interactions.
Plos One, 5, 2010
1H0V
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BU of 1h0v by Molmil
Human cyclin dependent protein kinase 2 in complex with the inhibitor 2-Amino-6-[(R)-pyrrolidino-5'-yl]methoxypurine
分子名称: 5-{[(2-AMINO-9H-PURIN-6-YL)OXY]METHYL}-2-PYRROLIDINONE, CELL DIVISION PROTEIN KINASE 2
著者Gibson, A.E, Arris, C.E, Bentley, J, Boyle, F.T, Curtin, N.J, Davies, T.G, Endicott, J.A, Golding, B.T, Grant, S, Griffin, R.J, Jewsbury, P, Johnson, L.N, Mesguiche, V, Newell, D.R, Noble, M.E.M, Tucker, J.A, Whitfield, H.J.
登録日2002-06-27
公開日2003-06-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Probing the ATP Ribose-Binding Domain of Cyclin-Dependent Kinases 1 and 2 with O(6)-Substituted Guanine Derivatives
J.Med.Chem., 45, 2002
1H0W
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BU of 1h0w by Molmil
Human cyclin dependent protein kinase 2 in complex with the inhibitor 2-Amino-6-[cyclohex-3-enyl]methoxypurine
分子名称: 1-AMINO-6-CYCLOHEX-3-ENYLMETHYLOXYPURINE, CELL DIVISION PROTEIN KINASE 2
著者Gibson, A.E, Arris, C.E, Bentley, J, Boyle, F.T, Curtin, N.J, Davies, T.G, Endicott, J.A, Golding, B.T, Grant, S, Griffin, R.J, Jewsbury, P, Johnson, L.N, Mesguiche, V, Newell, D.R, Noble, M.E.M, Tucker, J.A, Whitfield, H.J.
登録日2002-06-27
公開日2003-06-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Probing the ATP Ribose-Binding Domain of Cyclin-Dependent Kinases 1 and 2 with O(6)-Substituted Guanine Derivatives
J.Med.Chem., 45, 2002
4CXJ
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BU of 4cxj by Molmil
BTB domain of KEAP1 C151W mutant
分子名称: KELCH-LIKE ECH-ASSOCIATED PROTEIN 1
著者Cleasby, A, Yon, J, Day, P.J, Richardson, C, Tickle, I.J, Williams, P.A, Callahan, J.F, Carr, R, Concha, N, Kerns, J.K, Qi, H, Sweitzer, T, Ward, P, Davies, T.G.
登録日2014-04-07
公開日2014-06-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of the Btb Domain of Keap1 and its Interaction with the Triterpenoid Antagonist Cddo.
Plos One, 9, 2014
4CXT
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BTB domain of KEAP1 in complex with CDDO
分子名称: (13alpha,18alpha)-2-cyano-3-hydroxy-12-oxooleana-2,9(11)-dien-28-oic acid, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1
著者Cleasby, A, Yon, J, Day, P.J, Richardson, C, Tickle, I.J, Williams, P.A, Callahan, J.F, Carr, R, Concha, N, Kerns, J.K, Qi, H, Sweitzer, T, Ward, P, Davies, T.G.
登録日2014-04-08
公開日2014-06-18
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Structure of the Btb Domain of Keap1 and its Interaction with the Triterpenoid Antagonist Cddo.
Plos One, 9, 2014
4OEJ
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BU of 4oej by Molmil
Structure of membrane binding protein pleurotolysin B from Pleurotus ostreatus
分子名称: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
著者Dunstone, M.A, Caradoc-Davies, T.T, Whisstock, J.C, Law, R.H.P.
登録日2014-01-13
公開日2015-02-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Conformational Changes during Pore Formation by the Perforin-Related Protein Pleurotolysin.
Plos Biol., 13, 2015
3KLQ
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BU of 3klq by Molmil
Crystal Structure of the Minor Pilin FctB from Streptococcus pyogenes 90/306S
分子名称: GLYCEROL, Putative pilus anchoring protein
著者Linke, C, Young, P.G, Bunker, R.D, Caradoc-Davies, T.T, Baker, E.N.
登録日2009-11-08
公開日2010-04-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the minor pilin FctB reveals determinants of Group A streptococcal pilus anchoring
J.Biol.Chem., 285, 2010
4OEB
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BU of 4oeb by Molmil
Structure of membrane binding protein pleurotolysin A from Pleurotus ostreatus
分子名称: Pleurotolysin A, SULFATE ION
著者Dunstone, M.A, Caradoc-Davies, T.T, Whisstock, J.C, Law, R.H.P.
登録日2014-01-12
公開日2015-02-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Conformational Changes during Pore Formation by the Perforin-Related Protein Pleurotolysin.
Plos Biol., 13, 2015
6MQV
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BU of 6mqv by Molmil
Structure of HEWL from LCP injector using synchrotron radiation
分子名称: Lysozyme C, SODIUM ION
著者Caradoc-Davies, T.T, Aishima, J, Berntsen, P, Hadian-Jazi, M.
登録日2018-10-10
公開日2019-09-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The serial millisecond crystallography instrument at the Australian Synchrotron incorporating the "Lipidico" injector.
Rev Sci Instrum, 90, 2019
6O1Z
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Structure of pCW3 conjugation coupling protein TcpA hexagonal crystal form
分子名称: DNA translocase coupling protein
著者Traore, D.A.K, Ahktar, N, Torres, V.T, Adams, V, Coulibaly, F, Panjikar, S, Caradoc-Davies, T.T, Rood, J.I, Whisstock, J.C.
登録日2019-02-22
公開日2020-03-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure of pCW3 conjugation coupling protein TcpA
To be published
6O1Y
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Structure of pCW3 conjugation coupling protein TcpA monomeric form with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, DNA translocase coupling protein, beta-D-glucopyranose
著者Traore, D.A.K, Ahktar, N, Torres, V.T, Adams, V, Coulibaly, F, Panjikar, S, Caradoc-Davies, T.T, Rood, J.I, Whisstock, J.C.
登録日2019-02-22
公開日2020-02-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of pCW3 conjugation coupling protein TcpA
To be published
6O1W
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Structure of pCW3 conjugation coupling protein TcpA monomer orthorhombic crystal form
分子名称: DNA translocase coupling protein, beta-D-glucopyranose
著者Traore, D.A.K, Ahktar, N, Torres, V.T, Adams, V, Coulibaly, F, Panjikar, S, Caradoc-Davies, T.T, Rood, J.I, Whisstock, J.C.
登録日2019-02-22
公開日2020-02-26
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of pCW3 conjugation coupling protein TcpA
To be published
6O1X
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Structure of pCW3 conjugation coupling protein TcpA monomer form with ATPgS
分子名称: DNA translocase coupling protein, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, beta-D-glucopyranose
著者Traore, D.A.K, Ahktar, N, Torres, V.T, Adams, V, Coulibaly, F, Panjikar, S, Caradoc-Davies, T.T, Rood, J.I, Whisstock, J.C.
登録日2019-02-22
公開日2020-02-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Structure of pCW3 conjugation coupling protein TcpA
To be published
4DUR
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BU of 4dur by Molmil
The X-ray Crystal Structure of Full-Length type II Human Plasminogen
分子名称: ACETATE ION, BICARBONATE ION, CHLORIDE ION, ...
著者Law, R.H.P, Caradoc-Davies, T, Whisstock, J.C.
登録日2012-02-22
公開日2012-03-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献The X-ray crystal structure of full-length human plasminogen
Cell Rep, 1, 2012
4DUU
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BU of 4duu by Molmil
The X-ray Crystal Structure of Full-Length type I Human Plasminogen
分子名称: Plasminogen
著者Law, R.H.P, Caradoc-Davies, T, Whisstock, J.C.
登録日2012-02-22
公開日2012-03-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (5.2 Å)
主引用文献The X-ray crystal structure of full-length human plasminogen
Cell Rep, 1, 2012

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