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4B8D
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BU of 4b8d by Molmil
TENSEGRITY TRIANGLE FROM ENZYMATICALLY MANUFACTURED DNA
Descriptor: 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', ...
Authors:Ducani, C, Kaul, C.D, Moche, M, Shih, W.M, Hogberg, B.
Deposit date:2012-08-26
Release date:2013-06-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (4.79 Å)
Cite:Enzymatic Production of 'Monoclonal Stoichiometric' Single-Stranded DNA Oligonucleotides
Nat.Methods, 10, 2013
1HKF
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BU of 1hkf by Molmil
The three dimensional structure of NK cell receptor Nkp44, a triggering partner in natural cytotoxicity
Descriptor: NK CELL ACTIVATING RECEPTOR
Authors:Ponassi, M, Cantoni, C, Biassoni, R, Conte, R, Spallarossa, A, Moretta, A, Moretta, L, Bolognesi, M, Bordo, D.
Deposit date:2003-03-10
Release date:2003-06-11
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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)
Descriptor: 6-(cyclohexylmethoxy)-N-[4-(ethylsulfonyl)phenyl]-9H-purin-2-amine, Cyclin-A2, Cyclin-dependent kinase 2
Authors: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.
Deposit date:2015-07-30
Release date:2015-09-16
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification and Characterization of an Irreversible Inhibitor of CDK2.
Chem.Biol., 22, 2015
2I7U
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BU of 2i7u by Molmil
Structural and Dynamical Analysis of a Four-Alpha-Helix Bundle with Designed Anesthetic Binding Pockets
Descriptor: Four-alpha-helix bundle
Authors:Ma, D, Brandon, N.R, Cui, T, Bondarenko, V, Canlas, C, Johansson, J.S, Tang, P, Xu, Y.
Deposit date:2006-08-31
Release date:2007-09-11
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Four-alpha-helix bundle with designed anesthetic binding pockets. Part I: structural and dynamical analyses.
Biophys.J., 94, 2008
5N53
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BU of 5n53 by Molmil
Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with N-(3-chloro-4-methoxyphenyl) acetamide
Descriptor: D-3-phosphoglycerate dehydrogenase, ~{N}-(3-chloranyl-4-methoxy-phenyl)ethanamide
Authors:Unterlass, J.E, Basle, A, Blackburn, T.J, Tucker, J, Cano, C, Noble, M.E.M, Curtin, N.J.
Deposit date:2017-02-12
Release date:2017-04-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.48 Å)
Cite: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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BU of 5ofv by Molmil
Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with 5-fluoro-2-methylbenzoic acid
Descriptor: 5-fluoranyl-2-methyl-benzoic acid, D-3-phosphoglycerate dehydrogenase
Authors:Unterlass, J.E, Basle, A, Blackburn, T.J, Tucker, J, Cano, C, Noble, M.E.M, Curtin, N.J.
Deposit date:2017-07-11
Release date:2017-08-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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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BU of 5nzp by Molmil
Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with 3-Hydroxybenzisoxazole
Descriptor: 1,2-benzoxazol-3-ol, D-3-phosphoglycerate dehydrogenase
Authors:Unterlass, J.E, Basle, A, Blackburn, T.J, Tucker, J, Cano, C, Noble, M.E.M, Curtin, N.J.
Deposit date:2017-05-14
Release date:2017-06-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.3 Å)
Cite: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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BU of 5nzo by Molmil
Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with 1-methyl-3-phenyl-1H-pyrazol-5-amine
Descriptor: 2-methyl-5-phenyl-pyrazol-3-amine, D-3-phosphoglycerate dehydrogenase
Authors:Unterlass, J.E, Basle, A, Blackburn, T.J, Tucker, J, Cano, C, Noble, M.E.M, Curtin, N.J.
Deposit date:2017-05-14
Release date:2017-06-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.29 Å)
Cite: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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BU of 5ofw by Molmil
Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with 3-Chloro-4-fluorobenzamide
Descriptor: 3-chloranyl-4-fluoranyl-benzamide, D-3-phosphoglycerate dehydrogenase
Authors:Unterlass, J.E, Basle, A, Blackburn, T.J, Tucker, J, Cano, C, Noble, M.E.M, Curtin, N.J.
Deposit date:2017-07-11
Release date:2017-08-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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.
Descriptor: 3-(1,3-oxazol-5-yl)aniline, D-3-phosphoglycerate dehydrogenase
Authors:Unterlass, J.E, Basle, A, Blackburn, T.J, Tucker, J, Cano, C, Noble, M.E.M, Curtin, N.J.
Deposit date:2017-05-14
Release date:2017-06-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
Descriptor: D-3-phosphoglycerate dehydrogenase, L(+)-TARTARIC ACID, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Unterlass, J.E, Basle, A, Tucker, J, Cano, C, Noble, M.E.M, Curtin, N.J.
Deposit date:2017-02-14
Release date:2017-11-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural insights into the enzymatic activity and potential substrate promiscuity of human 3-phosphoglycerate dehydrogenase (PHGDH).
Oncotarget, 8, 2017
5LQF
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BU of 5lqf by Molmil
CDK1/CyclinB1/CKS2 in complex with NU6102
Descriptor: Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2, G2/mitotic-specific cyclin-B1, ...
Authors: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.
Deposit date:2016-08-17
Release date:2017-01-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.06 Å)
Cite: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
Descriptor: 1-methylindol-5-amine, D-3-phosphoglycerate dehydrogenase
Authors:Unterlass, J.E, Basle, A, Blackburn, T.J, Tucker, J, Cano, C, Noble, M.E.M, Curtin, N.J.
Deposit date:2017-07-11
Release date:2017-08-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
Descriptor: Late genes activator
Authors:Badia, D, Camacho, A, Perez-Lago, L, Escandon, C, Salas, M, Coll, M.
Deposit date:2005-12-30
Release date:2006-09-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite: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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BU of 2fio by Molmil
Phage phi29 transcription regulator p4-DNA complex
Descriptor: DNA (41-MER), Late genes activator
Authors:Badia, D, Camacho, A, Perez-Lago, L, Escandon, C, Salas, M, Coll, M.
Deposit date:2005-12-30
Release date:2006-09-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: 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, ...
Authors:Meulenbroek, E.M, Peron Cane, C, Jala, I, Iwai, S, Moolenaar, G.F, Goosen, N, Pannu, N.S.
Deposit date:2012-08-14
Release date:2012-11-21
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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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BU of 5aqn by Molmil
Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, BENZOFURO[3,2-D]PYRIMIDIN-4(3H)-ONE, ...
Authors: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.
Deposit date:2015-09-22
Release date:2016-10-05
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite: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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BU of 1m6i by Molmil
Crystal Structure of Apoptosis Inducing Factor (AIF)
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Programmed cell death protein 8
Authors:Ye, H, Cande, C, Stephanou, N.C, Jiang, S, Gurbuxani, S, Larochette, N, Daugas, E, Garrido, C, Kroemer, G, Wu, H.
Deposit date:2002-07-16
Release date:2002-08-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:DNA binding is required for the apoptogenic action of apoptosis inducing factor.
Nat.Struct.Biol., 9, 2002
5AQT
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BU of 5aqt by Molmil
Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
Descriptor: (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, ...
Authors: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.
Deposit date:2015-09-22
Release date:2016-10-05
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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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BU of 5aqw by Molmil
Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
Descriptor: (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, ...
Authors: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.
Deposit date:2015-09-22
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.53 Å)
Cite: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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BU of 5aqm by Molmil
Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, GLYCEROL, ...
Authors: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.
Deposit date:2015-09-22
Release date:2016-10-05
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.63 Å)
Cite: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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BU of 5aqy by Molmil
Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
Descriptor: 1,2-ETHANEDIOL, ADENOSINE, DIMETHYL SULFOXIDE, ...
Authors: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.
Deposit date:2015-09-22
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.56 Å)
Cite: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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BU of 5aqh by Molmil
Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
Descriptor: 5-methyl-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3-amine, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, DIMETHYL SULFOXIDE, ...
Authors: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.
Deposit date:2015-09-22
Release date:2016-10-05
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2 Å)
Cite: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.
Descriptor: (2-hydroxyethoxy)acetaldehyde, 1,2-ETHANEDIOL, DUAL SPECIFICITY PROTEIN KINASE TTK, ...
Authors: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.
Deposit date:2015-09-14
Release date:2015-09-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 7-methylquinazolin-4-amine, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, ...
Authors: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.
Deposit date:2015-09-22
Release date:2016-10-05
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.72 Å)
Cite: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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