Entry status  (1)

REL

(357)

Experimental methods  (1)

X-ray diffraction

(357)

Authors  (454)

Joseph C

(257)

Rudolph MG

(257)

Kuhn B

(256)

Benz J

(252)

Schlatter D

(252)

Flohr A

(251)

Cole JC

(76)

Kramer C

(76)

Nilly A

(76)

Reutlinger M

(76)

Schaffhauser H

(76)

Tosstorff A

(76)

Groebke-Zbinden K

(60)

Peters J

(28)

Koerner M

(26)

Lerner C

(21)

Brunner M

(20)

Sridhar V

(19)

Badger J

(18)

Bounaud PY

(18)

Chie-Leon B

(18)

Logan C

(18)

Nienaber V

(18)

Recht MI

(18)

Torres FE

(18)

Amano Y

(10)

Chmait S

(10)

Coleman PJ

(10)

Cox CD

(10)

Honbou K

(10)

Hu E

(10)

Masuda N

(10)

Peters JU

(10)

Smith SM

(10)

Yan Y

(10)

Allen JR

(9)

Krasso A

(9)

Renger JJ

(9)

Shipe WD

(9)

Wang H

(9)

Chen N

(8)

Guo L

(8)

Hamaguchi W

(8)

Hou J

(8)

Ke H

(8)

Liu Y

(8)

Liu YD

(8)

Luo HB

(8)

Robinson H

(8)

Rodriguez-Sarmiento RM

(8)

Wang HC

(8)

Zheng M

(8)

Zheng MY

(8)

Chino A

(7)

Davis C

(7)

Huang YY

(7)

Kokubo H

(7)

Kunitomo J

(7)

Li Z

(7)

McGaughey GB

(7)

Mihara T

(7)

Nakashima K

(7)

Oki H

(7)

Porter A

(7)

Taniguchi T

(7)

Tomishima M

(7)

Uslaner JM

(7)

Wu D

(7)

Wu Y

(7)

Yamazaki M

(7)

Yoshikawa M

(7)

Zhao X

(7)

Andrews KL

(6)

Barrow JC

(6)

Bundgaard C

(6)

Christoffersen CT

(6)

Kehler J

(6)

Kilburn JP

(6)

Kunz RK

(6)

Langgard M

(6)

Neidhart W

(6)

Nielsen J

(6)

Ritzen A

(6)

Rogers-Evans M

(6)

Sharik SS

(6)

Theberge CR

(6)

Treanor J

(6)

Zhou Q

(6)

Banner D

(5)

Bissantz C

(5)

Bleicher K

(5)

Brandon NJ

(5)

Brennan J

(5)

Ceccarelli S

(5)

Chen H

(5)

Egerland U

(5)

Erdei J

(5)

Fan KY

(5)

Feigin K

(5)

Fushimi M

(5)

 

More...

Homo / hetero assembly  (1)

homo

(357)

Assembly composition  (1)

protein structure

(357)

Assembly polymer count  (3)

monomer

(344)

trimer

(7)

dimer

(6)

Resolution distribution

1.0 - 1.5

(4)

1.5 - 2

(81)

2.0 - 2.5

(237)

2.5 - 3

(33)

3.0 - 3.5

(2)

Release year distribution

2005 - 2010

(10)

2010 - 2015

(62)

2015 - 2020

(36)

2020 - 2025

(264)

2025 - 2030

(2)

Journal  (14)

To be published

(187)

J Comput Aided Mol Des

(76)

J Med Chem

(26)

Bioorg Med Chem Lett

(18)

J Biomol Screen

(18)

Bioorg Med Chem

(14)

Proc Natl Acad Sci U S A

(8)

ACS Chem Neurosci

(2)

ACS Med Chem Lett

(2)

Chem Pharm Bull (Tokyo)

(2)

ACS Pharmacol Transl Sci

(1)

Acta Crystallogr D Biol Crystallogr

(1)

Acta Pharm Sin B

(1)

J Biol Chem

(1)

Organism superkingdom  (1)

Eukaryota

(357)

Organism name  (1)

Homo sapiens

(357)

Molecule name  (1)

cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A

(357)

Molecule type  (1)

Protein

(357)

Gene names  (1)

PDE10A

(357)

Interacting ligands  (361)

ZN : ZINC ION

(335)

MG : MAGNESIUM ION

(327)

GOL : GLYCEROL

(38)

NI : NICKEL (II) ION

(18)

SO4 : SULFATE ION

(10)

PR : PRASEODYMIUM ION

(9)

CL : CHLORIDE ION

(7)

4PX : 3-(1-hydroxy-2-methylpropan-2-yl)-5-phenyl-3,5-dihydro-1H-imidazo[4,5-c][1,8]naphthyridine-2,4-dione

(4)

CMP : ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE

(3)

4LK : 3-[3-fluoranyl-4-[5-methoxy-4-oxidanylidene-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one

(2)

DZU : 8-[(E)-2-[5-methyl-1-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]benzimidazol-2-yl]ethenyl]quinoline

(2)

EIK : 5,8-dimethyl-2-[2-(1-methyl-4-phenyl-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine

(2)

IIR : {(4S)-2-cyclopropyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)ethynyl]imidazo[1,2-b]pyridazin-3-yl}methanol

(2)

JKO : 1-methyl-4-(morpholine-4-carbonyl)-N-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide

(2)

PG4 : TETRAETHYLENE GLYCOL

(2)

0CV : 6-methoxy-3,8-dimethyl-4-(piperazin-1-yl)-1H-pyrazolo[3,4-b]quinoline

(1)

0JP : 8,9-dimethoxy-1-(1,3-thiazol-5-yl)-5,6-dihydroimidazo[5,1-a]isoquinoline

(1)

0JQ : 2-{1-[5-(6,7-dimethoxycinnolin-4-yl)-3-methylpyridin-2-yl]piperidin-4-yl}propan-2-ol

(1)

0T6 : 1-(2-chlorophenyl)-6,8-dimethoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine

(1)

0T7 : 3,4-dimethyl-1-propyl-7-(quinolin-2-ylmethoxy)imidazo[1,5-a]quinoxaline

(1)

15H : (1S)-1-(1-{3-[4-(1,3-benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl}piperidin-4-yl)ethanol

(1)

15J : (1-{3-[4-(1H-benzimidazol-2-ylamino)phenoxy]pyridin-2-yl}piperidin-4-yl)methanol

(1)

1IR : N-[cis-3-(2-methoxy-3H-imidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine

(1)

1IS : N-[trans-3-(2-methoxy-3H-imidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine

(1)

1XM : 4-amino-1,7-dihydro-6H-pyrazolo[3,4-d]pyrimidine-6-thione

(1)

1XN : 2H-isoindole-1,3-diamine

(1)

2D0 : 4-chloro-1,3-benzothiazol-2-amine

(1)

2F4 : 2-{4-[(6,7-difluoro-1H-benzimidazol-2-yl)amino]phenoxy}-N-methyl-3,4'-bipyridin-2'-amine

(1)

2F5 : 1H-benzimidazol-2-yl(4-{[3-(morpholin-4-yl)pyrazin-2-yl]oxy}phenyl)methanone

(1)

2KR : N-[4-(2-methoxy-3H-imidazo[4,5-b]pyridin-3-yl)phenyl]-5-methylpyridin-2-amine

(1)

2W1 : 1H-benzimidazol-2-yl(4-{[3-(tetrahydro-2H-pyran-4-yl)pyridin-2-yl]oxy}phenyl)methanone

(1)

2ZM : 5-nitro-1H-benzimidazole

(1)

2ZQ : 8-nitroquinoline

(1)

2ZT : 2-[(quinolin-7-yloxy)methyl]quinoline

(1)

2ZU : 2-{[(2-methyl-1,3-benzothiazol-5-yl)oxy]methyl}quinoline

(1)

2ZV : 4-methyl-3-nitropyridin-2-amine

(1)

2ZX : 6-chloropyrimidine-2,4-diamine

(1)

35D : 1-[4-(3-{[1-(quinolin-2-yl)azetidin-3-yl]oxy}quinoxalin-2-yl)piperidin-1-yl]ethanone

(1)

35E : [1-(3-{[1-(quinolin-2-yl)azetidin-3-yl]oxy}pyrazin-2-yl)piperidin-4-yl]methanol

(1)

35G : GUANOSINE-3',5'-MONOPHOSPHATE

(1)

3A6 : 3-AMINO-6-FLUORO-2-[4-(2-METHYLPYRIDIN-4-YL)PHENYL]-N-(METHYLSULFONYL)QUINOLINE-4-CARBOXAMIDE

(1)

3K9 : 1-[2-fluoro-4-(1H-pyrazol-1-yl)phenyl]-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one

(1)

3KB : 5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4(1H)-one

(1)

3KG : 3-(1-phenyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4(1H)-one

(1)

3SJ : 1-methyl-5-(1-methyl-3-{[4-(quinolin-2-yl)phenoxy]methyl}-1H-pyrazol-4-yl)pyridin-2(1H)-one

(1)

490 : 1-methyl-5-(1-methyl-3-{[4-(1-methyl-1H-benzimidazol-4-yl)phenoxy]methyl}-1H-pyrazol-4-yl)pyridin-2(1H)-one

(1)

4F7 : 2-[2-(4-phenyl-1H-imidazol-2-yl)ethyl]quinoxaline

(1)

4GK : 2-[2-(5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-3H-imidazo[4,5-f]quinoline

(1)

4HN : 2-(2'-ETHOXYBIPHENYL-4-YL)-4-HYDROXY-1,6-NAPHTHYRIDINE-3-CARBONITRILE

(1)

4LP : 1-(cyclopropylmethyl)-4-fluoranyl-5-[5-methoxy-4-oxidanylidene-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]-3,3-dimethyl-indol-2-one

(1)

4Q0 : 2-{2-[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}-4-(propan-2-yloxy)-1H-isoindole-1,3(2H)-dione

(1)

4XS : 4,6-dichloro-2-cyclopropyl-5-methylpyrimidine

(1)

4XU : 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[3-(quinolin-2-yl)propoxy]pyrimidin-4-amine

(1)

4XV : 6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine

(1)

4XY : 6-chloro-2-cyclopropyl-5-methyl-N-propylpyrimidin-4-amine

(1)

4Y1 : 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[2-(pyridin-2-yl)ethoxy]pyrimidin-4-amine

(1)

4Y2 : 6-chloro-2-cyclopropyl-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methylpyrimidin-4-amine

(1)

4ZE : 4-amino-2-methylphenol

(1)

540 : 8-fluoro-6-methoxy-3,4-dimethyl-1-(3-methylpyridin-4-yl)imidazo[1,5-a]quinoxaline

(1)

546 : 2-methoxy-6,7-dimethyl-9-(4-methylpyridin-3-yl)imidazo[1,5-a]pyrido[3,2-e]pyrazine

(1)

548 : 6-chloro-3,4-dimethyl-1-(3-methylpyridin-4-yl)-8-(trifluoromethyl)imidazo[1,5-a]quinoxaline

(1)

5AV : 5-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

(1)

5AY : N-[(1-methyl-1H-pyrazol-4-yl)methyl]-5-{[(1S,2S)-2-(pyridin-2-yl)cyclopropyl]methoxy}pyrazolo[1,5-a]pyrimidin-7-amine

(1)

5GP : GUANOSINE-5'-MONOPHOSPHATE

(1)

5M6 : 1-(4-chlorophenyl)-3-methyl-~{N}-[[(2~{R})-oxolan-2-yl]methyl]thieno[2,3-c]pyrazole-5-carboxamide

(1)

5M9 : 6-chloranyl-5,8-dimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine

(1)

5MF : 8-ethyl-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine

(1)

5MG : 3-(2-chloranyl-5-phenyl-1~{H}-imidazol-4-yl)-1-[3-(trifluoromethyloxy)phenyl]pyridazin-4-one

(1)

5NI : 5-NITROINDAZOLE

(1)

5ZE : 4,6-dimethylpyrimidin-2-amine

(1)

67A : 3-(1-phenyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1H)-one

(1)

6DT : N-(4-((5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy)phenyl)-1H-benzimidazol-2-amine

(1)

6DW : 1-(cyclopropylmethyl)-5-(2-(2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-1-yl)ethoxy)-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one

(1)

6RC : 4-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine

(1)

7ZE : 5-nitroquinoline

(1)

8G3 : 2-methyl-5-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-ol

(1)

8G6 : 7-(4-chlorophenyl)-2-methyl-pyrazolo[1,5-a]pyrimidine

(1)

8Q7 : 9-[(1S)-2,2-difluorocyclopropane-1-carbonyl]-6-[(4-methoxyphenyl)methyl]-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one

(1)

8ZE : 2,3-dihydro-1,4-benzodioxin-6-ylmethanol

(1)

9G6 : N-[2-(7-methoxy-4-morpholin-4-yl-quinazolin-6-yl)oxyethyl]-1,3-benzothiazol-2-amine

(1)

9ZE : 1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone

(1)

A1L31 : ~{N}-(2-azanyl-2-sulfanylidene-ethyl)-2-[3-[3-(dimethylcarbamoyl)-6-fluoranyl-imidazo[1,2-a]pyridin-2-yl]azetidin-1-yl]quinoline-4-carboxamide

(1)

A1LWO : 2,6-diazaspiro[3.3]heptan-2-yl-[2-[[4-[5-(2-methylpyridin-4-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenoxy]methyl]quinolin-4-yl]methanone

(1)

AEL : 2-{2-[5-methyl-1-(pyridin-4-yl)-1H-benzimidazol-2-yl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione

(1)

AEO : 2-[2-(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione

(1)

AMP : ADENOSINE MONOPHOSPHATE

(1)

AXC : 5-(1H-BENZIMIDAZOL-2-YLMETHYLSULFANYL)-2-METHYL-[1,2,4]TRIAZOLO[1,5-C]QUINAZOLINE

(1)

BR : BROMIDE ION

(1)

C1L : 6-methoxy-3,8-dimethyl-4-(morpholin-4-ylmethyl)-1H-pyrazolo[3,4-b]quinoline

(1)

D6X : N-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]quinolin-2-amine

(1)

D79 : 4-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-3,7,8,10-tetrazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaen-6-ol

(1)

D7C : 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[(2S)-2-methyl-1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl]ethanone

(1)

DKU : 3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one

(1)

DL0 : 6-chloranyl-3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one

(1)

EDO : 1,2-ETHANEDIOL

(1)

EEI : 5,7-dimethyl-2-[(1-methyl-4-phenyl-imidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine

(1)

EFJ : 2-(1~{H}-benzimidazol-2-ylsulfanylmethyl)-3-bromanyl-5,7-dimethyl-imidazo[1,2-a]pyrimidine

(1)

EHI : 8-methyl-2-[2-(1-methyl-4-phenyl-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine

(1)

EIH : 2-[(1-methyl-4-phenyl-imidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine

(1)

EV1 : 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXYISOQUINOLINE

(1)

 

More...

EC number / name  (1)

3.1.4.17 : 3',5'-cyclic-nucleotide phosphodiesterase

(357)

Biological function  (2)

3',5'-cyclic-nucleotide phosphodiesterase activity

(354)

phosphoric diester hydrolase activity

(354)

Biological process  (1)

signal transduction

(354)

CATH class  (2)

Mainly Alpha

(89)

Alpha Beta

(1)

CATH topology  (2)

Catalytic domain of cyclic nucleotide phosphodiesterase 4b2b

(89)

Beta-Lactamase

(1)

Pfam accession / name  (1)

PF00233 : PDEase_I

(1)

Diffraction protocol  (2)

Single wavelength

(356)

MAD

(1)

Diffraction radiation source type  (3)

Synchrotron

(324)

Rotating anode

(26)

Sealed tube

(7)

Diffraction source  (28)

SLS BEAMLINE X10SA

(257)

APS BEAMLINE 22-ID

(17)

NSLS BEAMLINE X29A

(8)

RIGAKU FR-E SUPERBRIGHT

(8)

RIGAKU MICROMAX-007 HF

(8)

PHOTON FACTORY BEAMLINE AR-NE3A

(7)

ALS BEAMLINE 5.0.3

(6)

CLSI BEAMLINE 08ID-1

(6)

ALS BEAMLINE 5.0.2

(5)

APS BEAMLINE 17-ID

(5)

OXFORD DIFFRACTION NOVA

(4)

OXFORD DIFFRACTION ENHANCE ULTRA

(3)

RIGAKU

(3)

RIGAKU FR-E+ SUPERBRIGHT

(3)

APS BEAMLINE 17-BM

(2)

APS BEAMLINE 24-ID-C

(2)

RIGAKU FR-E

(2)

ALS BEAMLINE 5.0.1

(1)

APS BEAMLINE 21-ID-F

(1)

APS BEAMLINE 22-BM

(1)

ESRF BEAMLINE ID14-4

(1)

ESRF BEAMLINE ID23-1

(1)

ESRF BEAMLINE ID29

(1)

RIGAKU MICROMAX-007

(1)

RIGAKU RU300

(1)

SPRING-8 BEAMLINE BL26B2

(1)

SPRING-8 BEAMLINE BL41XU

(1)

SSRL BEAMLINE BL14-1

(1)

Synchrotron site  (9)

SLS

(257)

APS

(28)

ALS

(12)

NSLS

(8)

Photon Factory

(7)

CLSI

(6)

ESRF

(3)

SPring-8

(2)

SSRL

(1)

Representative Structures

100%

95%

90%

70%

50%

40%

30%