UniProt Q13627

Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Q13627)

Dual specificity tyrosine-phosphorylation-regulated kinase 1A (UniProt Q13627), EC 2.7.11.23, 2.7.12.1: 111 experimental structures and 1 predicted model on GenesisL1, 66 ligands bound, 127 pockets. Binding sites, druggability…

UniProt: Q13627
Protein: Dual specificity tyrosine-phosphorylation-regulated kinase 1A
EC: 2.7.11.23, 2.7.12.1
Experimental structures: 111
Predicted models: 1
Ligands: 66
Pockets: 127 · 17 records with a druggable one

Structures

112 records of Q13627 in the MolNFT archive: 111 experimental, 1 predicted.

Entry	Title	Method	Chains	Ligands	Pockets
2VX3	Crystal structure of the human dual specificity tyrosine- phosphorylation-regulated kinase 1A	x-ray diffraction	A, B, C, D	—	—
2VX3	Crystal structure of the human dual specificity tyrosine- phosphorylation-regulated kinase 1A	x-ray diffraction	A, B, C, D	—	—
2WO6	Human Dual-Specificity Tyrosine-Phosphorylation-Regulated Kinase 1A in complex with a consensus…	x-ray diffraction	A, B	—	—
2WO6	Human dual-specificity tyrosine-phosphorylation-regulated kinase 1A in complex with a consensus…	x-ray diffraction	A, B	—	—
3ANQ	human DYRK1A/inhibitor complex	x-ray diffraction	A, B, C, D	—	—
3ANQ	Human DYRK1A/INHIBITOR complex	x-ray diffraction	A, B, C, D	—	—
3ANR	human DYRK1A/harmine complex	x-ray diffraction	A, B, C, D	—	—
3ANR	Human DYRK1A/HARMINE complex	x-ray diffraction	A, B, C, D	—	—
4AZE	Human DYRK1A in complex with Leucettine L41	x-ray diffraction	A, B, C	—	—
4AZE	Human DYRK1A in complex with leucettine L41	x-ray diffraction	A, B, C	—	—
4MQ1	The crystal structure of DYRK1a with a bound pyrido[2,3-d]pyrimidine inhibitor	x-ray diffraction	A, B, C, D	—	—
4MQ1	The crystal structure of DYRK1A with a bound PYRIDO[2,3-D]PYRIMIDINE inhibitor	x-ray diffraction	A, B, C, D	—	—
4MQ2	The crystal structure of DYRK1a with a bound pyrido[2,3-d]pyrimidine inhibitor	x-ray diffraction	A, B, C, D	—	—
4MQ2	The crystal structure of DYRK1A with a bound PYRIDO[2,3-D]PYRIMIDINE inhibitor	x-ray diffraction	A, B, C, D	—	—
4NCT	Human DYRK1A in complex with PKC412	x-ray diffraction	A, B, C, D	—	—
4NCT	Human DYRK1A in complex with PKC412	x-ray diffraction	A, B, C, D	—	—
4YLJ	Crystal structure of DYRK1A in complex with 10-Iodo-substituted…	x-ray diffraction	A, B, C, D	—	—
4YLJ	Crystal structure of DYRK1A in complex with 10-iodo-substituted 11H…	x-ray diffraction	A, B, C, D	—	—
4YLK	Crystal structure of DYRK1A in complex with 10-Chloro-substituted…	x-ray diffraction	A	—	—
4YLK	Crystal structure of DYRK1A in complex with 10-chloro-substituted 11H…	x-ray diffraction	A	—	—
4YLL	Crystal structure of DYRK1AA in complex with 10-Bromo-substituted…	x-ray diffraction	A	—	—
4YLL	Crystal structure of DYRK1AA in complex with 10-bromo-substituted 11H…	x-ray diffraction	A	—	—
4YU2	Crystal structure of DYRK1A with harmine-derivatized AnnH-75 inhibitor	x-ray diffraction	A, B, C, D	—	—
4YU2	Crystal structure of DYRK1A with harmine-derivatized annh-75 inhibitor	x-ray diffraction	A, B, C, D	—	—
5A3X	DYRK1A in complex with hydroxy benzothiazole fragment	x-ray diffraction	A, B, C, D	—	—
5A4E	DYRK1A in complex with methoxy benzothiazole fragment	x-ray diffraction	A, B, C, D	7QQ	15 (best 0.84)
5A4E	DYRK1A in complex with methoxy benzothiazole fragment	x-ray diffraction	A, B, C, D	—	—
5A4L	DYRK1A in complex with fluoro benzothiazole fragment	x-ray diffraction	A, B, C, D	—	—
5A4Q	DYRK1A in complex with chloro benzothiazole fragment	x-ray diffraction	A, B, C, D	—	—
5A4T	DYRK1A in complex with nitrile benzothiazole fragment	x-ray diffraction	A, B, C, D	—	—
5A54	DYRK1A in complex with nitro benzothiazole fragment	x-ray diffraction	A, B, C, D	—	—
5AIK	Human DYRK1A in complex with ldn-211898	x-ray diffraction	A, B, C, D	—	—
6A1F	Crystal structure of human DYRK1A in complex with compound 14	x-ray diffraction	A	SO4, 9OF	2 (best 0.61)
6A1F	Crystal structure of human DYRK1A in complex with compound 14	x-ray diffraction	A	SO4, 9OF	—
6A1G	Crystal structure of human DYRK1A in complex with compound 32	x-ray diffraction	A, B	9OL	—
6EIF	DYRK1A in complex with XMD7-117	x-ray diffraction	A, B, C, D	B5T	—
6EIF	DYRK1A in complex with XMD7-117	x-ray diffraction	A, B, C, D	B5T	—
6EIJ	DYRK1A in complex with HG-8-60-1	x-ray diffraction	A, B, C, D	B5Z	—
6EIJ	DYRK1A in complex with hg-8-60-1	x-ray diffraction	A, B, C, D	B5Z	—
6EIL	DYRK1A in complex with XMD8-49	x-ray diffraction	A, B, C, D	B6B	—
6EIP	DYRK1A in complex with XMD8-62E	x-ray diffraction	A, B, C, D	B7B	—
6EIQ	DYRK1A in complex with XMD14-124	x-ray diffraction	A, B, C, D	B6Z	9 (best 0.87)
6EIQ	DYRK1A in complex with XMD14-124	x-ray diffraction	A, B, C, D	B6Z	—
6EIR	DYRK1A in complex with XMD15-27-2	x-ray diffraction	A, B, C, D	B6H	13 (best 0.86)
6EIR	DYRK1A in complex with XMD15-27-2	x-ray diffraction	A, B, C, D	B6H	—
6EIS	DYRK1A in complex with jwc-055	x-ray diffraction	A, B, C, D	B6N	—
6EIV	DYRK1A in complex with JWD-065	x-ray diffraction	A, B, C, D	B6Q	—
6EIV	DYRK1A in complex with jwd-065	x-ray diffraction	A, B, C, D	B6Q	—
6EJ4	DYRK1A in complex with XMD7-112	x-ray diffraction	A, B, C, D	B7W	15 (best 0.87)
6EJ4	DYRK1A in complex with XMD7-112	x-ray diffraction	A, B, C, D	B7W	—
6LN1	A natural inhibitor of DYRK1A for treatment of diabetes mellitus	x-ray diffraction	A, B	EKU	—
6LN1	A natural inhibitor of DYRK1A for treatment of diabetes mellitus	x-ray diffraction	A, B	EKU	—
6QU2	Crystal structure of DYRK1A complexed with FC162 inhibitor	x-ray diffraction	A, B, C, D	SO4, JHW	—
6S11	Crystal structure of DYRK1A with small molecule inhibitor	x-ray diffraction	A, B	CL, KQE	—
6S14	Crystal structure of DYRK1A with small molecule inhibitor	x-ray diffraction	A	SO4, KQW	—
6S17	Crystal Structure of DYRK1A with small molecule inhibitor	x-ray diffraction	A	SO4, KQK	2 (best 0.69)
6S17	Crystal structure of DYRK1A with small molecule inhibitor	x-ray diffraction	A	SO4, KQK	—
6S1B	Crystal structure of DYRK1A with small molecule inhibitor	x-ray diffraction	A	SO4, KRQ	—
6S1H	Crystal Structure of DYRK1A with small molecule inhibitor	x-ray diffraction	A	SO4, KQZ	—
6S1H	Crystal structure of DYRK1A with small molecule inhibitor	x-ray diffraction	A	SO4, KQZ	—

52 records more on the page itself.

Ligands

CL · Chloride ion · in 20 records
SO4 · Sulfate ion · in 13 records
PO4 · Phosphate ion · in 5 records
39I · ~{N}4-(3-cyclopropyl-1~{H}-pyrazol-5-yl)-~{N}2-(phenylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine · in 2 records
6ZV · N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-benzimidazol-6-yl]pyrimidin-2-amine · in 2 records
9OF · 8-methoxy-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4-amine · in 2 records
B5T · 4-(3-pyridin-3-yl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl) benzenesulfonamide · in 2 records
B5Z · ~{N}-[5-[3-(2-morpholin-4-ylethylcarbamoylamino) phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide · in 2 records
B6H · ~{N}-[4-[[4-azanyl-2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]carbonyl]phenyl]propanamide · in 2 records
B6Q · ~{N}-[3-[[4-azanyl-2-[[4-(4-methylpiperazin-1-yl) phenyl]amino]-1,3-thiazol-5-yl]carbonyl]phenyl]propanamide · in 2 records
B6Z · [4-azanyl-2-[[2-methoxy-4-(4-methylpiperazin-1-yl) phenyl]amino]-1,3-thiazol-5-yl]-phenyl-methanone · in 2 records
B7W · 3-(3-pyridin-3-yl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl) aniline · in 2 records
EKU · 1,3,5,8-tetrakis(oxidanyl)xanthen-9-one · in 2 records
KQK · ~{N},~{N}-dimethyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine · in 2 records
KQZ · ~{N},~{N}-dimethyl-4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine · in 2 records
LI · Lithium ion · in 2 records
QY8 · 2-amino-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one · in 2 records
R05 · 5-(2-azanylpyridin-4-yl)-~{N}-[[2,6-bis(fluoranyl) phenyl]methyl]-2-methyl-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine · in 2 records
RHH · 4-[2-methyl-3-(2-pyridin-2-yloxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine · in 2 records
RJ5 · 4-(4-methoxyphenyl)pyridin-2-amine · in 2 records
RK8 · 4-[3-[(2~{S})-2-(6-bromanylpyridin-2-yl)oxypropyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine · in 2 records
RKZ · 4-[2-methyl-3-[(2~{R})-2-phenoxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine · in 2 records
4VZ · (5~{Z})-5-[(3-ethoxy-4-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one · in 1 record
4WD · (5~{Z})-5-[(3-ethynyl-4-methoxy-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one · in 1 record
6SD · 3-(4-methoxyphenyl)-1~{H}-pyrazol-5-amine · in 1 record
7QQ · N-(5-methoxy-1,3-benzothiazol-2-yl)ethanamide · in 1 record
9OL · 5,5-dimethyl-8-[1-(piperidin-4-yl)ethenyl]-5,6-dihydrobenzo[h]quinazolin-4-amine · in 1 record
ANP · Phosphoaminophosphonic acid-adenylate ester · in 1 record
B6B · [3-azanyl-6-(5-azanyl-2-methoxy-phenyl)pyrazin-2-yl]-pyridin-3-yl-methanone · in 1 record
B6N · 1-[4-fluoranyl-2-(trifluoromethyl)phenyl]-9-(1~{H}-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one · in 1 record

Experiment against prediction

6S1H chain A against the predicted model Q13627: TM-score 0.99, RMSD 0.51 Å
6S1H chain A against the predicted model Q13627: TM-score 0.99, RMSD 0.51 Å
6A1F chain A against the predicted model Q13627: TM-score 0.99, RMSD 0.54 Å
6A1F chain A against the predicted model Q13627: TM-score 0.99, RMSD 0.54 Å
4YLL chain A against the predicted model Q13627: TM-score 0.99, RMSD 0.58 Å
4YLL chain A against the predicted model Q13627: TM-score 0.99, RMSD 0.58 Å
4YLK chain A against the predicted model Q13627: TM-score 0.99, RMSD 0.58 Å
4YLK chain A against the predicted model Q13627: TM-score 0.99, RMSD 0.58 Å
6S1J chain A against the predicted model Q13627: TM-score 0.99, RMSD 0.60 Å
6S14 chain A against the predicted model Q13627: TM-score 0.99, RMSD 0.63 Å

Elsewhere

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