Table 2.

The crystal structures of 17β-HSD1. No papers describing the 3DEY, 3KLP and 3KM0 structures have been published. The structures of the ligands are shown in Fig. 14.

PDB code	Mutated residues	Ligands	Reference
1A27	–	NADP, estradiol	[69]
1BHS	–	–	[70]
1DHT	–	5α-Dihydrotestosterone	[71]
1EQU	–	NADP, equilin	[72]
1FDS	–	Estradiol	[73]
1FDT	–	NADP, estradiol	[73]
1FDU	H221L	NADP, estradiol	[74]
1FDV	H221L	NAD	[74]
1FDW	H221Q	Estradiol	[74]
1I5R	–	DHETNAa	[75]
1IOL	D112E	Estradiol	[76]
1JTV	–	Testosterone	[77]
1QYV	–	NADP	[78]
1QYW	–	NADP, 5α-androstan-3,17-dione,	[78]
1QYX	–	NADP, 4-androstene-3,17-dione	[78]
3DEY	–	5α-Dihydrotestosterone	–
3DHE	–	3β-Hydroxy-5-androsten-17-one	[71]
3HB4	–	E2Bb	[79]
3HB5	–	NADP, E2Bb	[79]
3KLM	–	5α-Dihydrotestosterone	[80]
3KLP	–	(3α,8α,17β)-androst-5-ene-3,17-diol	–
3KM0	–	NADP, 5α-androstan-3β,17β-diol	–

^aDHETNA: O5′-[9-(3,17β-dihydroxy-1,3,5(10)-estratrien-16β-yl)-nonanoyl]adenosine.

^bE2B: 3-(((8R,9S,13S,14S,16R,17S)-3,17-dihydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-16-yl)methyl)benzamide.