Entry status  (1)

REL

(27)

Experimental methods  (1)

X-ray diffraction

(27)

Authors  (206)

Ashkenazi A

(11)

Braun MG

(11)

Rudolph J

(11)

Wang W

(11)

Clark KR

(10)

Wallweber HA

(10)

Beresini MH

(8)

Chen YA

(7)

Le Thomas A

(7)

Canter B

(6)

Day ES

(6)

Ferri E

(6)

Kaufman SE

(6)

Lammens A

(6)

Liu PS

(6)

Mortara K

(6)

Phung W

(6)

Walters BT

(6)

Collins I

(5)

Kaufman S

(5)

Bayliss R

(4)

Beveridge RE

(4)

Bhatia C

(4)

Burke R

(4)

Caldwell JJ

(4)

Gibbons P

(4)

Joshi A

(4)

Leclerc JP

(4)

Lemire A

(4)

Ly C

(4)

McHardy T

(4)

Newbatt Y

(4)

Schwarz JB

(4)

Zhao L

(4)

Al-Awar R

(3)

Al-awar R

(3)

Beresini M

(3)

Bonnette W

(3)

Buser CA

(3)

Campobasso N

(3)

Canny MD

(3)

Chen S

(3)

Chiovitti D

(3)

Choudhry AE

(3)

Concha NO

(3)

Davies FE

(3)

DeYoung MP

(3)

Duffy N

(3)

Duffy NM

(3)

Durocher D

(3)

Evans KA

(3)

Federowicz K

(3)

Ghiro E

(3)

Heerding DA

(3)

Joachim R

(3)

Kurinov I

(3)

Larivee A

(3)

Larivée A

(3)

Leblanc M

(3)

Lee K

(3)

Lehmann L

(3)

Lucas JL

(3)

Patterson JB

(3)

Poda G

(3)

Prakesch M

(3)

Qi H

(3)

Ralph J

(3)

Sanches M

(3)

Schweitzer C

(3)

Shuster LE

(3)

Sicheri F

(3)

Smallwood A

(3)

Srivastava S

(3)

Su DS

(3)

Sweitzer S

(3)

Talukdar M

(3)

Tam V

(3)

Thevakumaran N

(3)

Toro A

(3)

Totoritis R

(3)

Uehling D

(3)

Vuga D

(3)

Wilson B

(3)

Yang J

(3)

Zeng Q

(3)

Zhang G

(3)

Backes BJ

(2)

Colombano G

(2)

De Bruyn T

(2)

Eccles SA

(2)

Feldman HC

(2)

Hedayat S

(2)

Jones AM

(2)

Kan D

(2)

Maly DJ

(2)

Matthews TP

(2)

McAndrew C

(2)

McAndrew PC

(2)

Mok NY

(2)

Myers SM

(2)

 

More...

Homo / hetero assembly  (1)

homo

(27)

Assembly composition  (1)

protein structure

(27)

Assembly polymer count  (2)

monomer

(14)

dimer

(13)

Resolution distribution

1.5 - 2

(2)

2.0 - 2.5

(10)

2.5 - 3

(11)

3.0 - 3.5

(3)

3.5 - 4

(1)

Release year distribution

2005 - 2010

(1)

2010 - 2015

(10)

2015 - 2020

(16)

2020 - 2025

(12)

Journal  (10)

Nat Commun

(9)

ACS Med Chem Lett

(4)

J Med Chem

(3)

Mol Pharmacol

(3)

Oncotarget

(2)

Proc Natl Acad Sci U S A

(2)

ACS Chem Biol

(1)

EMBO J

(1)

Elife

(1)

Nat Chem Biol

(1)

Organism superkingdom  (1)

Eukaryota

(27)

Organism name  (2)

Homo sapiens

(24)

Mus musculus

(3)

Molecule name  (8)

Endoplasmic reticulum-to-nucleus signaling 1

(27)

Endoribonuclease

(27)

IRE1a

(27)

Inositol-requiring protein 1

(27)

Ire1-alpha

(27)

Serine/threonine-protein kinase

(27)

Serine/threonine-protein kinase/endoribonuclease IRE1

(27)

hIRE1p

(24)

Molecule type  (1)

Protein

(27)

Gene names  (4)

ERN1

(24)

IRE1

(24)

Ern1

(3)

Ire1

(3)

Interacting ligands  (32)

ADP : ADENOSINE-5'-DIPHOSPHATE

(5)

MG : MAGNESIUM ION

(5)

EDO : 1,2-ETHANEDIOL

(3)

GOL : GLYCEROL

(3)

SO4 : SULFATE ION

(3)

EPE : 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID

(2)

NA : SODIUM ION

(2)

31J : 7-hydroxy-6-methoxy-3-[2-(2-methoxyethoxy)ethyl]-4,8-dimethyl-2H-chromen-2-one

(1)

31K : 2-methoxy-6-methyl-4-(4-methyl-3,4-dihydro-2H-1,4-benzoxazin-7-yl)phenol

(1)

31L : 3-methoxy-5-methyl-4'-(morpholin-4-yl)biphenyl-4-ol

(1)

3E4 : N-{4-[(3-{2-[(trans-4-aminocyclohexyl)amino]pyrimidin-4-yl}pyridin-2-yl)oxy]-3-methylnaphthalen-1-yl}-2-chlorobenzenesulfonamide

(1)

4K7 : (5R)-2-(3,4-dichlorobenzyl)-N-(4-methylbenzyl)-2,7-diazaspiro[4.5]decane-7-carboxamide

(1)

4L5 : 2-methoxy-4-[6-(propan-2-ylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide

(1)

BME : BETA-MERCAPTOETHANOL

(1)

CL : CHLORIDE ION

(1)

CS : CESIUM ION

(1)

DTT : 2,3-DIHYDROXY-1,4-DITHIOBUTANE

(1)

GUK : 6-chloranyl-3-(2~{H}-indazol-5-yl)-~{N}-propan-2-yl-imidazo[1,2-b]pyridazin-8-amine

(1)

GXK : 6-chloranyl-~{N}-(cyclopropylmethyl)-3-(2~{H}-indazol-5-yl)imidazo[1,2-b]pyridazin-8-amine

(1)

N8S : 4-amino-N-(6-chloro-2-fluoro-3-{[(2-fluorophenyl)sulfonyl]amino}phenyl)-6-(1,3-dimethyl-1H-pyrazol-4-yl)quinazoline-8-carboxamide

(1)

N94 : 4-amino-N-(6-chloro-2-fluoro-3-{[(pyrrolidin-1-yl)sulfonyl]amino}phenyl)quinazoline-8-carboxamide

(1)

N97 : 4-[(trans-4-aminocyclohexyl)amino]-N-(6-chloro-3-{[(2,5-difluorophenyl)sulfonyl]amino}-2-fluorophenyl)thieno[3,2-d]pyrimidine-7-carboxamide

(1)

PEG : DI(HYDROXYETHYL)ETHER

(1)

PGE : TRIETHYLENE GLYCOL

(1)

QFV : 2-chloro-N-(6-methyl-5-{[3-(2-{[(3S)-piperidin-3-yl]amino}pyrimidin-4-yl)pyridin-2-yl]oxy}naphthalen-1-yl)benzene-1-sulfonamide

(1)

SJG : ethyl ~{N}-[6-methyl-5-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]carbamate

(1)

SJM : ~{N}-[6-methyl-5-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]but-2-ynamide

(1)

SJS : 4-[5-[2,6-bis(fluoranyl)phenyl]-2~{H}-pyrazolo[3,4-b]pyridin-3-yl]-2-(4-oxidanylpiperidin-1-yl)-1~{H}-pyrimidin-6-one

(1)

SJV : methyl ~{N}-[6-methyl-5-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]carbamate

(1)

STU : STAUROSPORINE

(1)

U4N : 2,2,2-tris(fluoranyl)-~{N}-[4-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxynaphthalen-1-yl]ethanesulfonamide

(1)

XOE : 1-phenyl-N-(2,3,6-trifluoro-4-{[(3M)-3-(2-{[(3R,5R)-5-fluoropiperidin-3-yl]amino}pyrimidin-4-yl)pyridin-2-yl]oxy}phenyl)methanesulfonamide

(1)

EC number / name  (1)

2.7.11.1 : Non-specific serine/threonine protein kinase

(27)

Biological function  (6)

ATP binding

(25)

RNA endonuclease activity

(25)

RNA nuclease activity

(25)

protein kinase activity

(25)

protein serine/threonine kinase activity

(25)

integrin binding

(2)

Biological process  (4)

endoplasmic reticulum unfolded protein response

(25)

mRNA processing

(25)

protein phosphorylation

(25)

cell adhesion

(2)

CATH class  (2)

Alpha Beta

(13)

Mainly Alpha

(13)

CATH topology  (3)

Phosphorylase Kinase; domain 1

(13)

Transferase(Phosphotransferase); domain 1

(13)

de novo design (two linked rop proteins)

(13)

Representative Structures

100%

95%

90%

70%

50%

40%

30%