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4B8D
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BU of 4b8d by Molmil
TENSEGRITY TRIANGLE FROM ENZYMATICALLY MANUFACTURED DNA
分子名称: 5'-D(*CP*CP*GP*TP*AP*CP*AP)-3', 5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*AP*CP*DGP *GP*AP*CP*AP*TP*CP*A)-3', 5'-D(*GP*GP*CP*TP*GP*CP)-3', ...
著者Ducani, C, Kaul, C.D, Moche, M, Shih, W.M, Hogberg, B.
登録日2012-08-26
公開日2013-06-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (4.79 Å)
主引用文献Enzymatic Production of 'Monoclonal Stoichiometric' Single-Stranded DNA Oligonucleotides
Nat.Methods, 10, 2013
1HKF
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The three dimensional structure of NK cell receptor Nkp44, a triggering partner in natural cytotoxicity
分子名称: NK CELL ACTIVATING RECEPTOR
著者Ponassi, M, Cantoni, C, Biassoni, R, Conte, R, Spallarossa, A, Moretta, A, Moretta, L, Bolognesi, M, Bordo, D.
登録日2003-03-10
公開日2003-06-11
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Three-Dimensional Structure of the Human Nk Cell Receptor Nkp44, a Triggering Partner in Natural Cytotoxicity
Structure, 11, 2003
5CYI
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BU of 5cyi by Molmil
CDK2/Cyclin A covalent complex with 6-(cyclohexylmethoxy)-N-(4-(vinylsulfonyl)phenyl)-9H-purin-2-amine (NU6300)
分子名称: 6-(cyclohexylmethoxy)-N-[4-(ethylsulfonyl)phenyl]-9H-purin-2-amine, Cyclin-A2, Cyclin-dependent kinase 2
著者Anscombe, E, Meschini, E, Vidal, R.M, Martin, M.P, Staunton, D, Geitmann, M, Danielson, U.H, Stanley, W.A, Wang, L.Z, Reuillon, T, Golding, B.T, Cano, C, Newell, D.R, Noble, M.E.M, Wedge, S.R, Endicott, J.A, Griffin, R.J.
登録日2015-07-30
公開日2015-09-16
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification and Characterization of an Irreversible Inhibitor of CDK2.
Chem.Biol., 22, 2015
2I7U
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Structural and Dynamical Analysis of a Four-Alpha-Helix Bundle with Designed Anesthetic Binding Pockets
分子名称: Four-alpha-helix bundle
著者Ma, D, Brandon, N.R, Cui, T, Bondarenko, V, Canlas, C, Johansson, J.S, Tang, P, Xu, Y.
登録日2006-08-31
公開日2007-09-11
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Four-alpha-helix bundle with designed anesthetic binding pockets. Part I: structural and dynamical analyses.
Biophys.J., 94, 2008
5N53
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Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with N-(3-chloro-4-methoxyphenyl) acetamide
分子名称: D-3-phosphoglycerate dehydrogenase, ~{N}-(3-chloranyl-4-methoxy-phenyl)ethanamide
著者Unterlass, J.E, Basle, A, Blackburn, T.J, Tucker, J, Cano, C, Noble, M.E.M, Curtin, N.J.
登録日2017-02-12
公開日2017-04-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Validating and enabling phosphoglycerate dehydrogenase (PHGDH) as a target for fragment-based drug discovery in PHGDH-amplified breast cancer.
Oncotarget, 9, 2018
5OFV
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Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with 5-fluoro-2-methylbenzoic acid
分子名称: 5-fluoranyl-2-methyl-benzoic acid, D-3-phosphoglycerate dehydrogenase
著者Unterlass, J.E, Basle, A, Blackburn, T.J, Tucker, J, Cano, C, Noble, M.E.M, Curtin, N.J.
登録日2017-07-11
公開日2017-08-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Validating and enabling phosphoglycerate dehydrogenase (PHGDH) as a target for fragment-based drug discovery in PHGDH-amplified breast cancer.
Oncotarget, 9, 2018
5NZP
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Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with 3-Hydroxybenzisoxazole
分子名称: 1,2-benzoxazol-3-ol, D-3-phosphoglycerate dehydrogenase
著者Unterlass, J.E, Basle, A, Blackburn, T.J, Tucker, J, Cano, C, Noble, M.E.M, Curtin, N.J.
登録日2017-05-14
公開日2017-06-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Validating and enabling phosphoglycerate dehydrogenase (PHGDH) as a target for fragment-based drug discovery in PHGDH-amplified breast cancer.
Oncotarget, 9, 2018
5NZO
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Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with 1-methyl-3-phenyl-1H-pyrazol-5-amine
分子名称: 2-methyl-5-phenyl-pyrazol-3-amine, D-3-phosphoglycerate dehydrogenase
著者Unterlass, J.E, Basle, A, Blackburn, T.J, Tucker, J, Cano, C, Noble, M.E.M, Curtin, N.J.
登録日2017-05-14
公開日2017-06-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Validating and enabling phosphoglycerate dehydrogenase (PHGDH) as a target for fragment-based drug discovery in PHGDH-amplified breast cancer.
Oncotarget, 9, 2018
5OFW
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Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with 3-Chloro-4-fluorobenzamide
分子名称: 3-chloranyl-4-fluoranyl-benzamide, D-3-phosphoglycerate dehydrogenase
著者Unterlass, J.E, Basle, A, Blackburn, T.J, Tucker, J, Cano, C, Noble, M.E.M, Curtin, N.J.
登録日2017-07-11
公開日2017-08-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Validating and enabling phosphoglycerate dehydrogenase (PHGDH) as a target for fragment-based drug discovery in PHGDH-amplified breast cancer.
Oncotarget, 9, 2018
5NZQ
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BU of 5nzq by Molmil
Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with 3-(1,3-oxazol-5-yl)aniline.
分子名称: 3-(1,3-oxazol-5-yl)aniline, D-3-phosphoglycerate dehydrogenase
著者Unterlass, J.E, Basle, A, Blackburn, T.J, Tucker, J, Cano, C, Noble, M.E.M, Curtin, N.J.
登録日2017-05-14
公開日2017-06-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Validating and enabling phosphoglycerate dehydrogenase (PHGDH) as a target for fragment-based drug discovery in PHGDH-amplified breast cancer.
Oncotarget, 9, 2018
5N6C
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BU of 5n6c by Molmil
Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with NAD and L-Tartrate
分子名称: D-3-phosphoglycerate dehydrogenase, L(+)-TARTARIC ACID, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Unterlass, J.E, Basle, A, Tucker, J, Cano, C, Noble, M.E.M, Curtin, N.J.
登録日2017-02-14
公開日2017-11-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural insights into the enzymatic activity and potential substrate promiscuity of human 3-phosphoglycerate dehydrogenase (PHGDH).
Oncotarget, 8, 2017
5LQF
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CDK1/CyclinB1/CKS2 in complex with NU6102
分子名称: Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2, G2/mitotic-specific cyclin-B1, ...
著者Coxon, C.R, Anscombe, E, Harnor, S.J, Martin, M.P, Carbain, B.J, Hardcastle, I.R, Harlow, L.K, Korolchuk, S, Matheson, C.J, Noble, M.E, Newell, D.R, Turner, D.M, Sivaprakasam, M, Wang, L.Z, Wong, C, Golding, B.T, Griffin, R.J, Endicott, J.A, Cano, C.
登録日2016-08-17
公開日2017-01-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Cyclin-Dependent Kinase (CDK) Inhibitors: Structure-Activity Relationships and Insights into the CDK-2 Selectivity of 6-Substituted 2-Arylaminopurines.
J. Med. Chem., 60, 2017
5OFM
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BU of 5ofm by Molmil
Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with 5-amino-1-methyl-1H-indole
分子名称: 1-methylindol-5-amine, D-3-phosphoglycerate dehydrogenase
著者Unterlass, J.E, Basle, A, Blackburn, T.J, Tucker, J, Cano, C, Noble, M.E.M, Curtin, N.J.
登録日2017-07-11
公開日2017-08-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with 5-amino-1-methyl-1H-indole
To be published
2FIP
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BU of 2fip by Molmil
Phage phi29 transcription regulator p4
分子名称: Late genes activator
著者Badia, D, Camacho, A, Perez-Lago, L, Escandon, C, Salas, M, Coll, M.
登録日2005-12-30
公開日2006-09-26
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The structure of phage phi29 transcription regulator p4-DNA complex reveals an N-hook motif for DNA
Mol.Cell, 22, 2006
2FIO
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Phage phi29 transcription regulator p4-DNA complex
分子名称: DNA (41-MER), Late genes activator
著者Badia, D, Camacho, A, Perez-Lago, L, Escandon, C, Salas, M, Coll, M.
登録日2005-12-30
公開日2006-09-26
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The structure of phage phi29 transcription regulator p4-DNA complex reveals an N-hook motif for DNA
Mol.Cell, 22, 2006
4GLE
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BU of 4gle by Molmil
SacUVDE in complex with 6-4PP-containing DNA
分子名称: 5'-D(*CP*GP*TP*CP*GP*TP*CP*AP*AP*GP*GP*AP*CP*GP*C)-3', 5'-D(*GP*CP*GP*TP*CP*CP*(64T)P*(5PY)P*GP*AP*CP*GP*AP*CP*G)-3', SULFATE ION, ...
著者Meulenbroek, E.M, Peron Cane, C, Jala, I, Iwai, S, Moolenaar, G.F, Goosen, N, Pannu, N.S.
登録日2012-08-14
公開日2012-11-21
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献UV damage endonuclease employs a novel dual-dinucleotide flipping mechanism to recognize different DNA lesions.
Nucleic Acids Res., 41, 2013
5AQN
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Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, BENZOFURO[3,2-D]PYRIMIDIN-4(3H)-ONE, ...
著者Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M.
登録日2015-09-22
公開日2016-10-05
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
1M6I
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Crystal Structure of Apoptosis Inducing Factor (AIF)
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Programmed cell death protein 8
著者Ye, H, Cande, C, Stephanou, N.C, Jiang, S, Gurbuxani, S, Larochette, N, Daugas, E, Garrido, C, Kroemer, G, Wu, H.
登録日2002-07-16
公開日2002-08-28
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献DNA binding is required for the apoptogenic action of apoptosis inducing factor.
Nat.Struct.Biol., 9, 2002
5AQT
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Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
分子名称: (1S,2R,3R,5R)-3-(hydroxymethyl)-5-(quinazolin-4-ylamino)cyclopentane-1,2-diol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, ...
著者Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M.
登録日2015-09-22
公開日2016-10-05
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
5AQW
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Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
分子名称: (1S,2R,3R,5R)-3-(hydroxymethyl)-5-(quinazolin-4-ylamino)cyclopentane-1,2-diol, (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 1,2-ETHANEDIOL, ...
著者Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M.
登録日2015-09-22
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
5AQM
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Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, GLYCEROL, ...
著者Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M.
登録日2015-09-22
公開日2016-10-05
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
5AQY
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Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
分子名称: 1,2-ETHANEDIOL, ADENOSINE, DIMETHYL SULFOXIDE, ...
著者Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M.
登録日2015-09-22
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
5AQH
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Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
分子名称: 5-methyl-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3-amine, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, DIMETHYL SULFOXIDE, ...
著者Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M.
登録日2015-09-22
公開日2016-10-05
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
5AP5
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BU of 5ap5 by Molmil
Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance.
分子名称: (2-hydroxyethoxy)acetaldehyde, 1,2-ETHANEDIOL, DUAL SPECIFICITY PROTEIN KINASE TTK, ...
著者Gurden, M.D, Westwood, I.M, Faisal, A, Naud, S, Cheung, K.J, McAndrew, C, Wood, A, Schmitt, J, Boxall, K, Mak, G, Workman, P, Burke, R, Hoelder, S, Blagg, J, van Montfort, R.L.M, Linardopoulos, S.
登録日2015-09-14
公開日2015-09-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Naturally Occurring Mutations in the Mps1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance.
Cancer Res., 75, 2015
5AQQ
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Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 7-methylquinazolin-4-amine, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, ...
著者Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M.
登録日2015-09-22
公開日2016-10-05
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016

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