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PDB: 38 results

3OS5
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SET7/9-Dnmt1 K142me1 complex
Descriptor: 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, Dnmt1, ...
Authors:Esteve, P.-O, Chang, Y, Samaranayake, M, Upadhyay, A.K, Horton, J.R, Feehery, G.R, Cheng, X, Pradhan, S.
Deposit date:2010-09-08
Release date:2010-12-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:A methylation and phosphorylation switch between an adjacent lysine and serine determines human DNMT1 stability.
Nat.Struct.Mol.Biol., 18, 2011
3QGJ
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1.3A Structure of alpha-Lytic Protease Bound to Ac-AlaAlaPro-Alanal
Descriptor: 1,2-ETHANEDIOL, Ac-AlaAlaPro-Alanal peptide, Alpha-lytic protease, ...
Authors:Everill, P, Meinke, G, Bohm, A, Bachovchin, W.
Deposit date:2011-01-24
Release date:2012-02-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Substrate Binding Defines Ser195 Position in the Catalytic Triad of Serine Proteases, Not His57 protonation
To be Published
5F4N
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Multi-parameter lead optimization to give an oral CHK1 inhibitor clinical candidate: (R)-5-((4-((morpholin-2-ylmethyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)pyrazine-2-carbonitrile (CCT245737)
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Serine/threonine-protein kinase Chk1, ...
Authors:Collins, I, Garrett, M.D, van Montfort, R, Osborne, J.D, Matthews, T.P, McHardy, T, Proisy, N, Cheung, K.J, Lainchbury, M, Brown, N, Walton, M.I, Eve, P.D, Boxall, K.J, Hayes, A, Henley, A.T, Valenti, M.R, De Haven Brandon, A.K, Box, G, Westwood, I.M, Jamin, Y, Robinson, S.P, Leonard, P, Reader, J.C, Aherne, G.W, Raynaud, F.I, Eccles, S.A.
Deposit date:2015-12-03
Release date:2016-05-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Multiparameter Lead Optimization to Give an Oral Checkpoint Kinase 1 (CHK1) Inhibitor Clinical Candidate: (R)-5-((4-((Morpholin-2-ylmethyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)pyrazine-2-carbonitrile (CCT245737).
J.Med.Chem., 59, 2016
4AXA
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Structure of PKA-PKB chimera complexed with (1S)-2-amino-1-(4- chlorophenyl)-1-(4-(1H-pyrazol-4-yl)phenyl)ethan-1-ol
Descriptor: (2S)-2-(4-chlorophenyl)-2-hydroxy-2-[4-(1H-pyrazol-4-yl)phenyl]ethanaminium, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA
Authors:Davies, T.G, Yap, T.A, Walton, M.I, Grimshaw, K.M, tePoele, R.H, Eve, P.D, Valenti, M.R, deHavenBrandon, A.K, Martins, V, Zetterlund, A, Heaton, S.P, Heinzmann, K, Jones, P.S, Feltell, R.E, Reule, M, Woodhead, S.J, Lyons, J.F, Raynaud, F.I, Eccles, S.A, Workman, P, Thompson, N.T, Garrett, M.D.
Deposit date:2012-06-12
Release date:2012-07-25
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:At13148 is a Novel, Oral Multi-Agc Kinase Inhibitor with Potent Pharmacodynamic and Antitumor Activity.
Clin.Cancer Res., 18, 2012
2YM4
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Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
Descriptor: 1,2-ETHANEDIOL, SERINE/THREONINE-PROTEIN KINASE CHK1, ethyl 4-[(2R)-2-(aminomethyl)morpholin-4-yl]-3-(3-cyanophenyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
Authors:Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I.
Deposit date:2011-06-06
Release date:2012-01-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing.
J.Med.Chem., 54, 2011
2YM6
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Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
Descriptor: 1,2-ETHANEDIOL, 1-[(2R)-4-(9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]methanamine, SERINE/THREONINE-PROTEIN KINASE CHK1
Authors:Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I.
Deposit date:2011-06-06
Release date:2012-01-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing.
J.Med.Chem., 54, 2011
2YM8
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Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
Descriptor: (R)-5-(8-CHLOROISOQUINOLIN-3-YLAMINO)-3-(1-(DIMETHYLAMINO)PROPAN-2-YLOXY)PYRAZINE-2-CARBONITRILE, 1,2-ETHANEDIOL, SERINE/THREONINE-PROTEIN KINASE CHK1
Authors:Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I.
Deposit date:2011-06-06
Release date:2012-01-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing.
J.Med.Chem., 54, 2011
2YM5
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Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
Descriptor: (3-{4-[(2S)-2-(AMINOMETHYL)MORPHOLIN-4-YL]-7H-PYRROLO[2,3-D]PYRIMIDIN-5-YL}PHENYL)METHANOL, 1,2-ETHANEDIOL, SERINE/THREONINE-PROTEIN KINASE CHK1
Authors:Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I.
Deposit date:2011-06-06
Release date:2012-01-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing.
J.Med.Chem., 54, 2011
2YM3
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Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
Descriptor: 1,2-ETHANEDIOL, ETHYL 4-(2-(AMINOMETHYL)MORPHOLINO)-1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXYLATE, SERINE/THREONINE-PROTEIN KINASE CHK1
Authors:Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I.
Deposit date:2011-06-06
Release date:2012-01-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.007 Å)
Cite:Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing.
J.Med.Chem., 54, 2011
2YM7
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Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
Descriptor: 1,2-ETHANEDIOL, 5-({6-[(piperidin-4-ylmethyl)amino]pyrimidin-4-yl}amino)pyrazine-2-carbonitrile, SERINE/THREONINE-PROTEIN KINASE CHK1
Authors:Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I.
Deposit date:2011-06-06
Release date:2012-01-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing.
J.Med.Chem., 54, 2011
1QTF
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CRYSTAL STRUCTURE OF EXFOLIATIVE TOXIN B
Descriptor: EXFOLIATIVE TOXIN B
Authors:Vath, G.M, Earhart, C.A, Monie, D.D, Schlievert, P.M, Ohlendorf, D.H.
Deposit date:1999-06-27
Release date:1999-08-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The crystal structure of exfoliative toxin B: a superantigen with enzymatic activity.
Biochemistry, 38, 1999
2XBJ
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Crystal Structure of Chk2 in complex with an inhibitor
Descriptor: 4-FLUORO-2-(4-{[(3S,4R)-4-(1-HYDROXY-1-METHYLETHYL)PYRROLIDIN-3-YL]AMINO}-6,7-DIMETHOXYQUINAZOLIN-2-YL)PHENOL, MAGNESIUM ION, NITRATE ION, ...
Authors:Anderson, V.E, Walton, M.I, Eve, P.D, Caldwell, J.J, Pearl, L.H, Oliver, A.W, Collins, I, Garrett, M.D.
Deposit date:2010-04-12
Release date:2011-01-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-Based Design of Potent and Selective 2-(Quinazolin-2-Yl)Phenol Inhibitors of Checkpoint Kinase 2.
J.Med.Chem., 54, 2011
3EA6
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Atomic resolution of crystal structure of SEK
Descriptor: IODIDE ION, Staphylococcal enterotoxin K, ZINC ION
Authors:Shi, K, Huseby, M, Schlievert, P.M, Ohlendorf, D.H, Earhart, C.A.
Deposit date:2008-08-24
Release date:2009-06-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (0.92 Å)
Cite:Structural Studies of an Emerging Pyrogenic Superantigen, SEK
To be Published
8PFK
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RNA structure with 1-methylpseudoridine, C2 space group
Descriptor: MAGNESIUM ION, RNA (12-mer)
Authors:Spingler, B, McAuley, K, Nievergelt, P, Thorn, A.
Deposit date:2023-06-16
Release date:2024-01-31
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.321 Å)
Cite:RNA oligomers at atomic resolution containing 1-methylpseudouridine, an essential building block of mRNA vaccines.
Chemmedchem, 19, 2024
8PFQ
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RNA structure with 1-methylpseudoridine, P1 space group
Descriptor: Chains: A,B, MAGNESIUM ION
Authors:Spingler, B, McAuley, K, Nievergelt, P, Thorn, A.
Deposit date:2023-06-16
Release date:2024-01-31
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.01 Å)
Cite:RNA oligomers at atomic resolution containing 1-methylpseudouridine, an essential building block of mRNA vaccines.
Chemmedchem, 19, 2024
3NDS
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BU of 3nds by Molmil
Crystal structure of engineered Naja Nigricollis toxin alpha
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, SULFATE ION, Short neurotoxin 1
Authors:Stura, E.A, Drevet, P, Gregory, G, Gallopin, M, Vandame, M.
Deposit date:2010-06-08
Release date:2010-08-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Conformational exchange is critical for the productivity of an oxidative folding intermediate with buried free cysteines.
J.Mol.Biol., 403, 2010
3HL6
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Staphylococcus aureus pathogenicity island 3 ORF9 protein
Descriptor: CHLORIDE ION, Pathogenicity island protein
Authors:Kruse, A.C, Huseby, M, Shi, K, Digre, J, Schlievert, P.M, Ohlendorf, D.H, Earhart, C.A.
Deposit date:2009-05-26
Release date:2010-06-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and functional studies of a pathogenicity island protein from Staphylococcus aureus
To be Published
1HQR
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CRYSTAL STRUCTURE OF A SUPERANTIGEN BOUND TO THE HIGH-AFFINITY, ZINC-DEPENDENT SITE ON MHC CLASS II
Descriptor: HLA-DR ALPHA CHAIN, HLA-DR BETA CHAIN, MYELIN BASIC PROTEIN, ...
Authors:Li, Y, Li, H, Dimasi, N, Schlievert, P, Mariuzza, R.
Deposit date:2000-12-19
Release date:2001-01-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of a superantigen bound to the high-affinity, zinc-dependent site on MHC class II.
Immunity, 14, 2001
1JWM
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Crystal Structure of the Complex of the MHC Class II Molecule HLA-DR1(HA peptide 306-318) with the Superantigen SEC3
Descriptor: Enterotoxin type C-3, HA peptide, HLA class II histocompatibility antigen, ...
Authors:Sundberg, E.J, Andersen, P.S, Schlievert, P.M, Karjalainen, K, Mariuzza, R.A.
Deposit date:2001-09-04
Release date:2003-07-08
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural, energetic, and functional analysis of a protein-protein interface at distinct stages of affinity maturation
Structure, 11, 2003
1JWU
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Crystal Structure of the Complex of the MHC Class II Molecule HLA-DR1 (HA peptide 306-318) with the superantigen SEC3 Variant 3B2
Descriptor: Enterotoxin type C-3, HA peptide, HLA class II histocompatibility antigen, ...
Authors:Sundberg, E.J, Andersen, P.S, Schlievert, P.M, Karjalainen, K, Mariuzza, R.A.
Deposit date:2001-09-05
Release date:2003-07-08
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural, energetic, and functional analysis of a protein-protein interface at distinct stages of affinity maturation
Structure, 11, 2003
1JWS
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Crystal Structure of the Complex of the MHC Class II Molecule HLA-DR1 (HA peptide 306-318) with the Superantigen SEC3 Variant 3B1
Descriptor: Enterotoxin type C-3, HA peptide, HLA class II histocompatibility antigen, ...
Authors:Sundberg, E.J, Andersen, P.S, Schlievert, P.M, Karjalainen, K, Mariuzza, R.A.
Deposit date:2001-09-05
Release date:2003-07-08
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural, energetic, and functional analysis of a protein-protein interface at distinct stages of affinity maturation
Structure, 11, 2003
1KTK
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Complex of Streptococcal pyrogenic enterotoxin C (SpeC) with a human T cell receptor beta chain (Vbeta2.1)
Descriptor: Exotoxin type C, T-cell receptor beta chain
Authors:Sundberg, E.J, Li, H, Llera, A.S, McCormick, J.K, Tormo, J, Karjalainen, K, Schlievert, P.M, Mariuzza, R.A.
Deposit date:2002-01-16
Release date:2002-06-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structures of two streptococcal superantigens bound to TCR beta chains reveal diversity in the architecture of T cell signaling complexes.
Structure, 10, 2002
2Y1B
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Crystal structure of the E. coli outer membrane lipoprotein RcsF
Descriptor: 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, PUTATIVE OUTER MEMBRANE PROTEIN, SIGNAL, ...
Authors:Declercq, J.P, Leverrier, P, Boujtat, A, Collet, J.F.
Deposit date:2010-12-07
Release date:2011-03-16
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of the Outer Membrane Protein Rcsf, a New Substrate for the Periplasmic Protein- Disulfide Isomerase Dsbc.
J.Biol.Chem., 286, 2011
2C1W
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The structure of XendoU: a splicing independent snoRNA processing endoribonuclease
Descriptor: ENDOU PROTEIN, PHOSPHATE ION
Authors:Renzi, F, Caffarelli, E, Laneve, P, Bozzoni, I, Brunori, M, Vallone, B.
Deposit date:2005-09-21
Release date:2006-07-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Structure of the Endoribonuclease Xendou: From Small Nucleolar RNA Processing to Severe Acute Respiratory Syndrome Coronavirus Replication.
Proc.Natl.Acad.Sci.USA, 103, 2006
1LA0
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Solution Structure of Calcium Saturated Cardiac Troponin C in the Troponin C-Troponin I Complex
Descriptor: CALCIUM ION, Troponin C, slow skeletal and cardiac muscles
Authors:Dvoretsky, A, Abusamhadneh, E.M, Howarth, J.W, Rosevear, P.R.
Deposit date:2002-03-27
Release date:2002-12-11
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution Structure of Calcium-Saturated Cardiac Troponin C bound to cardiac Troponin I.
J.Biol.Chem., 277, 2002

 

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