Uniprot accession / id : P22518  OR   Uniprot accession / id : P49759
 
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Entry Information
Entry status  (1)
REL
(38)
 
Experimental methods  (1)
X-ray diffraction
(38)
 
Authors  (227)
Knapp S
(26)
Structural Genomics Consortium (SGC)
(25)
Chaikuad A
(19)
Schroder M
(13)
Schroeder M
(13)
Schröder M
(13)
Arrowsmith CH
(11)
Bountra C
(11)
Bracher F
(10)
Edwards AM
(10)
Bullock AN
(8)
Fedorov O
(8)
Domovich Y
(7)
Livnah O
(7)
Meijer L
(6)
von Delft F
(6)
Anizon F
(4)
Berger BT
(4)
Drapela S
(4)
Drápela S
(4)
Esvan YJ
(4)
Flegel J
(4)
Giraud F
(4)
Hylsova M
(4)
Hylsová M
(4)
Loaec N
(4)
Loaëc N
(4)
Maier L
(4)
Moreau P
(4)
Nemec V
(4)
Němec V
(4)
Paruch K
(4)
Sievers S
(4)
Soucek K
(4)
Souček K
(4)
Uldrijan S
(4)
Valcikova B
(4)
Valčíková B
(4)
Waldmann H
(4)
Zeinyeh W
(4)
Ziegler S
(4)
Edwards A
(3)
Aiger C
(2)
Arrowsmith C
(2)
Bach S
(2)
Baratte B
(2)
Benderitter P
(2)
Boibessot T
(2)
Chatterjee D
(2)
Cho S
(2)
Deau E
(2)
Denis A
(2)
Filippakopoulos P
(2)
George N
(2)
George P
(2)
Helmer R
(2)
Hoflack J
(2)
Huber K
(2)
Joerger AC
(2)
Josselin B
(2)
Khiari J
(2)
Kraemer A
(2)
Kramer A
(2)
Krämer A
(2)
Kunick C
(2)
Lindberg MF
(2)
Miege F
(2)
Nauton L
(2)
Ott I
(2)
Preu L
(2)
Roche D
(2)
Ruchaud S
(2)
Sundstrom M
(2)
Tazarki H
(2)
Thery V
(2)
Théry V
(2)
Walter A
(2)
Albayya F
(1)
Amos A
(1)
Amos AL
(1)
Aret E
(1)
Arnaud B
(1)
Ball L
(1)
Bergsdorf C
(1)
Bernhard M
(1)
Bonnet P
(1)
Bouchard K
(1)
Brennan P
(1)
Brichet M
(1)
Brooijmans N
(1)
Brubaker JD
(1)
Brugman SJT
(1)
Bullock A
(1)
Chang JH
(1)
Chen C
(1)
Chen K
(1)
Chun HS
(1)
Cobos-Correa A
(1)
Dairou J
(1)
Danieli T
(1)
 
More...
 
Homo / hetero assembly  (1)
homo
(38)
 
Assembly composition  (1)
protein structure
(38)
 
Assembly polymer count  (1)
monomer
(38)
 
Resolution distribution
1.0 - 1.5
(2)
1.5 - 2
(17)
2.0 - 2.5
(14)
2.5 - 3
(5)
 
Release year distribution
2000 - 2005
(1)
2005 - 2010
(2)
2015 - 2020
(30)
2020 - 2025
(21)
 
Journal  (13)
To be published
(10)
J Med Chem
(9)
Angew Chem Int Ed Engl
(5)
Eur J Med Chem
(4)
PLoS One
(2)
Biomed Res Int
(1)
Chem Biol
(1)
ChemMedChem
(1)
Int J Mol Sci
(1)
Mol Cell
(1)
Protein Expr Purif
(1)
Sci Transl Med
(1)
Structure
(1)
 
Macromolecules
Organism superkingdom  (1)
Eukaryota
(38)
 
Organism name  (1)
Homo sapiens
(38)
 
Molecule name  (2)
CDC-like kinase 1
(38)
Dual specificity protein kinase CLK1
(38)
 
Molecule type  (1)
Protein
(38)
 
Gene names  (2)
CLK
(38)
CLK1
(38)
 
Interacting ligands  (43)
EDO : 1,2-ETHANEDIOL
(9)
GOL : GLYCEROL
(9)
PO4 : PHOSPHATE ION
(7)
V25 : ethyl 3-[(E)-2-amino-1-cyanoethenyl]-6,7-dichloro-1-methyl-1H-indole-2-carboxylate
(3)
EAE : (1~{Z})-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one
(2)
JTQ : 5-[6,7-bis(chloranyl)-1-methyl-indol-3-yl]pyrimidin-4-amine
(2)
NA : SODIUM ION
(2)
SO4 : SULFATE ION
(2)
06N : 4-[2-(propylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenol
(1)
3NG : 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid
(1)
5ID : (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL
(1)
6FB : pyrido[3,4-g]quinazolin-2-amine
(1)
6FD : pyrido[3,4-g]quinazoline-2,10-diamine
(1)
7A7 : methyl 9-[(2-fluoranyl-4-methoxy-phenyl)amino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
(1)
BR : BROMIDE ION
(1)
CL : CHLORIDE ION
(1)
DBQ : DEBROMOHYMENIALDISINE
(1)
E6T : 3-(3-hydroxyphenyl)-1~{H}-pyrrolo[3,4-g]indol-8-one
(1)
E6W : 2-bromanyl-3-phenyl-1~{H}-pyrrolo[3,4-g]indol-8-one
(1)
EAQ : 6-~{tert}-butyl-~{N}-[6-(1~{H}-pyrazol-4-yl)-1~{H}-imidazo[1,2-a]pyridin-2-yl]pyridine-3-carboxamide
(1)
FG9 : ~{N}2-(3-morpholin-4-ylpropyl)pyrido[3,4-g]quinazoline-2,10-diamine
(1)
H3E : 5-(1-methylpyrazol-4-yl)-3-[1-(phenylmethyl)pyrazol-4-yl]furo[3,2-b]pyridine
(1)
H3H : 5-(1-methylpyrazol-4-yl)-3-(3-propan-2-yloxyphenyl)furo[3,2-b]pyridine
(1)
H3N : 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
(1)
H3Q : 3-(3-cyclobutylphenyl)-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine
(1)
HQB : ~{N}-methyl-10-nitro-pyrido[3,4-g]quinazolin-2-amine
(1)
IOD : IODIDE ION
(1)
IYZ : 1-(3-{6-[(CYCLOPROPYLMETHYL)AMINO]IMIDAZO[1,2-B]PYRIDAZIN-3-YL}PHENYL)ETHANONE
(1)
JQW : 4-[6,7-bis(chloranyl)-1~{H}-indol-3-yl]pyrimidin-2-amine
(1)
JU8 : 5-(1-methylindol-3-yl)pyrimidin-4-amine
(1)
JUW : 4-(1-methylindol-3-yl)pyrimidin-2-amine
(1)
JWN : 4-[2-methyl-1-(4-methylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]-~{N}-(6-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)benzamide
(1)
K : POTASSIUM ION
(1)
KHC : (4~{S})-7,8-bis(chloranyl)-9-methyl-1-oxidanylidene-spiro[2,4-dihydropyrido[3,4-b]indole-3,4'-piperidine]-4-carbonitrile
(1)
PKB : 4-(6-ethoxypyrazolo[1,5-b]pyridazin-3-yl)-~{N}-[3-methoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-amine
(1)
PQ5 : 7,10-Dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxylic acid
(1)
Q7K : 11,15-dimethyl-6-(oxan-4-yloxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
(1)
RH8 : ~{N}-[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine
(1)
SQZ : 5-[1-[(1S)-1-(4-fluorophenyl)ethyl]-[1,2,3]triazolo[4,5-c]quinolin-8-yl]-1,3-benzoxazole
(1)
V5T : 4-(1~{H}-indol-3-yl)pyrimidin-2-amine
(1)
WAK : (4~{Z})-2-(1-adamantylamino)-4-(1,3-benzothiazol-6-ylmethylidene)-1~{H}-imidazol-5-one
(1)
WAZ : (4~{Z})-4-(1,3-benzothiazol-6-ylmethylidene)-2-[[(2~{R})-1-methoxy-4-methyl-pentan-2-yl]amino]-1~{H}-imidazol-5-one
(1)
XQX : cyclopropyl(4-{(8R)-6-[4-(piperazin-1-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl}piperazin-1-yl)methanone
(1)
 
Function and Biology
EC number / name  (1)
2.7.12.1 : Dual-specificity kinase
(38)
 
Biological function  (11)
ATP binding
(38)
protein kinase activity
(38)
kinase activity
(1)
non-membrane spanning protein tyrosine kinase activity
(1)
nucleotide binding
(1)
protein binding
(1)
protein serine kinase activity
(1)
protein serine/threonine kinase activity
(1)
protein serine/threonine/tyrosine kinase activity
(1)
protein tyrosine kinase activity
(1)
transferase activity
(1)
 
Biological process  (2)
protein phosphorylation
(38)
regulation of RNA splicing
(1)
 
Biological cell component  (1)
nucleus
(1)
 
Sequence and Structure classification
CATH class  (2)
Alpha Beta
(4)
Mainly Alpha
(4)
 
CATH topology  (2)
Phosphorylase Kinase; domain 1
(4)
Transferase(Phosphotransferase); domain 1
(4)
 
Pfam accession / name  (1)
PF00069 : Pkinase
(38)
 
Experimental Information
Diffraction protocol  (1)
Single wavelength
(38)
 
Diffraction radiation source type  (1)
Synchrotron
(38)
 
Diffraction source  (13)
DIAMOND BEAMLINE I03
(5)
BESSY BEAMLINE 14.2
(4)
DIAMOND BEAMLINE I04
(4)
ESRF BEAMLINE ID29
(4)
SLS BEAMLINE X06SA
(4)
SLS BEAMLINE X10SA
(4)
ESRF BEAMLINE ID23-1
(3)
SLS BEAMLINE X06DA
(3)
DIAMOND BEAMLINE I02
(2)
DIAMOND BEAMLINE I04-1
(2)
ESRF BEAMLINE BM30A
(1)
PAL/PLS BEAMLINE 7A (6B, 6C1)
(1)
SSRF BEAMLINE BL17U
(1)
 
Synchrotron site  (6)
Diamond
(13)
SLS
(11)
ESRF
(8)
BESSY
(4)
PAL/PLS
(1)
SSRF
(1)
 
Diffraction detector type  (2)
Pixel
(33)
CCD
(5)
 
Refinement software  (2)
REFMAC
(32)
PHENIX
(6)
 
Representative Structures
Representative Structures
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Entries 1 to 10 of 38
Entries 1 to 10 of 38
 Select all entries on this page
Crystal structure of di-phosphorylated human CLK1 in complex with a novel substituted indole inhibitor
Pike ACW, Bullock AN, Fedorov O, Pilka ES, Ugochukwu E, von Delft F, Edwards A, Arrowsmith CH, Weigelt J, Sundstrom M, Huber K, Bracher F, Knapp S
Chem Biol (2011) [PMID: 21276940  ]
Source organism: Homo sapiens  
Assembly composition: protein only structure
Bound ligands: V25    V25   
Modified residues: SEP    TPO    SEP    TPO   
Assembly name: Dual specificity protein kinase CLK1 (Preferred)   search this complex
PDBe complex ID: PDB-CPX-156010 (Preferred)   search this ID
PDBe-KB: P49759   
X-ray diffraction
1.8Å resolution
Released: 9 Oct 2007
Model geometry
Fit model/data
2vag
2vag
2vag
CLK1 bound with imidazopyridazine (Cpd 1)
Schroeder M, Chaikuad A, Knapp S, Structural Genomics Consortium (SGC)
J Med Chem (2020) [PMID: 32787076  ]
Source organism: Homo sapiens  
Assembly composition: protein only structure
Bound ligands: IYZ    IYZ    EDO   
Assembly name: Dual specificity protein kinase CLK1 (Preferred)   search this complex
PDBe complex ID: PDB-CPX-156010 (Preferred)   search this ID
PDBe-KB: P49759   
X-ray diffraction
2.3Å resolution
Released: 15 Jul 2020
Model geometry
Fit model/data
6yta
6yta
6yta
Crystal structure of CLK1 in complex with CX-4945
Lee JY, Yun JS, Jin H, Chang JH
Biomed Res Int (2019) [PMID: 31531359  ]
Source organism: Homo sapiens  
Assembly composition: protein only structure
Bound ligands: 3NG   
Assembly name: Dual specificity protein kinase CLK1 (Preferred)   search this complex
PDBe complex ID: PDB-CPX-156010 (Preferred)   search this ID
PDBe-KB: P49759   
X-ray diffraction
2.7Å resolution
Released: 2 Oct 2019
Model geometry
Fit model/data
6khd
6khd
6khd
Crystal structure of CLK1 in complex with furanopyrimidin VN412
Schroeder M, Arrowsmith CH, Edwards AM, Bountra C, Paruch K, Knapp S, Structural Genomics Consortium (SGC)
Angew Chem Int Ed Engl (2019) [PMID: 30569600  ]
Source organism: Homo sapiens  
Assembly composition: protein only structure
Bound ligands: GOL    H3N    EDO   
Assembly name: Dual specificity protein kinase CLK1 (Preferred)   search this complex
PDBe complex ID: PDB-CPX-156010 (Preferred)   search this ID
PDBe-KB: P49759   
X-ray diffraction
1.49Å resolution
Released: 16 Jan 2019
Model geometry
Fit model/data
6i5h
6i5h
6i5h
Crystal structure of CLK1 in complexed with furo[3,2-b]pyridine compound VN316 (derivative of compound 12h)
Chaikuad A, Arrowsmith CH, Edwards AM, Bountra C, Paruch K, Knapp S, Structural Genomics Consortium (SGC)
Angew Chem Int Ed Engl (2019) [PMID: 30569600  ]
Source organism: Homo sapiens  
Assembly composition: protein only structure
Bound ligands: GOL    H3Q    PO4   
Assembly name: Dual specificity protein kinase CLK1 (Preferred)   search this complex
PDBe complex ID: PDB-CPX-156010 (Preferred)   search this ID
PDBe-KB: P49759   
X-ray diffraction
2.55Å resolution
Released: 9 Jan 2019
Model geometry
Fit model/data
6i5l
6i5l
6i5l
CLK1 bound with CAF052
Schroeder M, Chaikuad A, Knapp S, Structural Genomics Consortium (SGC)
Int J Mol Sci (2020) [PMID: 33114754  ]
Source organism: Homo sapiens  
Assembly composition: protein only structure
Bound ligands: RH8   
Assembly name: Dual specificity protein kinase CLK1 (Preferred)   search this complex
PDBe complex ID: PDB-CPX-156010 (Preferred)   search this ID
PDBe-KB: P49759   
X-ray diffraction
2.5Å resolution
Released: 11 Nov 2020
Model geometry
Fit model/data
7ak3
7ak3
7ak3
Crystal structure of human CLK1 in complex with Leucettinib-92
Kraemer A, Schroeder M, Meijer L, Knapp S, Structural Genomics Consortium (SGC)
J Med Chem (2023) [PMID: 37487467  ]
Source organism: Homo sapiens  
Assembly composition: protein only structure
Bound ligands: WAK   
Assembly name: Dual specificity protein kinase CLK1 (Preferred)   search this complex
PDBe complex ID: PDB-CPX-156010 (Preferred)   search this ID
PDBe-KB: P49759   
X-ray diffraction
2.6Å resolution
Released: 17 May 2023
Model geometry
Fit model/data
8p04
8p04
8p04
Crystal structure of CLK1 in complex with macrocycle ODS2003208
Chaikuad A, Benderitter P, Hoflack J, Denis A, Knapp S, Structural Genomics Consortium (SGC)
To be published
Source organism: Homo sapiens  
Assembly composition: protein only structure
Bound ligands: GOL    NA    EDO    NA   
Assembly name: Dual specificity protein kinase CLK1 (Preferred)   search this complex
PDBe complex ID: PDB-CPX-156010 (Preferred)   search this ID
PDBe-KB: P49759   
X-ray diffraction
1.6Å resolution
Released: 3 Jun 2020
Model geometry
Fit model/data
6z50
6z50
6z50
CLK1 bound with GW807982X (Cpd 8)
Schroeder M, Chaikuad A, Knapp S, Structural Genomics Consortium (SGC)
J Med Chem (2020) [PMID: 32787076  ]
Source organism: Homo sapiens  
Assembly composition: protein only structure
Bound ligands: PKB    EDO   
Assembly name: Dual specificity protein kinase CLK1 (Preferred)   search this complex
PDBe complex ID: PDB-CPX-156010 (Preferred)   search this ID
PDBe-KB: P49759   
X-ray diffraction
1.7Å resolution
Released: 26 Aug 2020
Model geometry
Fit model/data
6zln
6zln
6zln
Crystal structure of human CLK1 in complex with Leucettinib-21
Kraemer A, Schroeder M, Meijer L, Knapp S, Structural Genomics Consortium (SGC)
J Med Chem (2023) [PMID: 38051674  ]
Source organism: Homo sapiens  
Assembly composition: protein only structure
Bound ligands: WAZ   
Assembly name: Dual specificity protein kinase CLK1 (Preferred)   search this complex
PDBe complex ID: PDB-CPX-156010 (Preferred)   search this ID
PDBe-KB: P49759   
X-ray diffraction
2.4Å resolution
Released: 17 May 2023
Model geometry
Fit model/data
8p08
8p08
8p08
Entries 1 to 10 of 38
Entries 1 to 10 of 38