Crystal Structures

Protein Crystal Structures
Protein Structures - Not HIV Protease
Protein Significance PDB Code Resolution[Å]
Oxidase Wild-Type Choline oxidase (pH=6.0) 4MJW 1.95
Oxidase Mutant S101A Choline oxidase 3NNE 2.48
Oxidase Mutant V464A Choline oxidase 3LJP 2.2
Dehydrogenase Pseudomonas aeruginosa D-Arginine Dehydrogenase 3NYC 1.06
Dehydrogenase Pseudomonas aeruginosa D-Arginine Dehydrogenase with Imino-Arginine 3NYE 1.30
Dehydrogenase Pseudomonas aeruginosa D-Arginine Dehydrogenase with Imino-Histidine 3NYF 1.30
Dehydrogenase Pseudomonas aeruginosa D-Arginine Dehydrogenase with an (N5) Flavin Adduct 3SM8 1.07
Caspase-3 Caspase-3 + Ac-D(ME)-Fmk 3GJR 2.2
Caspase-3 Caspase-3 + Ac-DEVD-Cho 2H5I 1.7
Caspase-3 Caspase-3 + Ac-DMQD-Cho 2H5J 2.0
Caspase-3 Caspase-3 + Ac-IEPD-Cho 3GJT 2.2
Caspase-3 Caspase-3 + Ac-LDESD-Cho 3EDQ 1.61
Caspase-3 Caspase-3 + Ac-VDVAD-Cho 2H65 2.3
Caspase-3 Caspase-3 + Ac-WEHD-Cho 3GJQ 2.6
Caspase-3 Caspase-3 + Ac-YVAD-Cho 3GJS 1.9
Caspase-7 Caspase-7 unliganded 3IBF 2.50
Caspase-7 Caspase-7 + Ac-DMQD-Cho 2QL5 2.34
Caspase-7 Caspase-7 + Ac-DNLD-Cho 2QLF 2.8
Caspase-7 Caspase-7 + Ac-DQMD-Cho 2QL9 2.14
Caspase-7 Caspase-7 + Ac-ESMD-Cho 2QLB 2.25
Caspase-7 Caspase-7 + Ac-IEPD-Cho 2QL7 2.4
Caspase-7 Caspase-7 + Ac-LDESD-Cho 3EDR 2.45
Caspase-7 Caspase-7 + Ac-WEHD-Cho 2QLJ 2.6
Caspase-7 Caspase-7 + Ac-YVAD-Cho 3IBC 2.75
SodA Bacillus subtilis superoxide dismutase 2RCV 1.6
Est30 carboxylesterase 30 with covalent reaction intermediate 1TQH 1.63
Est55 carboxylesterase 55 (pH=6.8) 2OGT 2.02
Est55 carboxylesterase 55 (pH=6.2) 2OGS 1.58
mTcl1 murine homolog of human oncoprotein 1JNP 2.50
MTCP1 human oncoprotein 1A1X 2.00
TNF-alpha mutant R31D 1A8M 2.30



HIV PR; Retroviral Protease Structures
Protein Significance PDB Code Resolution[Å]
HIV-1 PR (Joint neutron and X-ray structure of per-deuterated) WT +  Amprenavir 4JEC* 2.01
HIV-1 PR WT +  Amprenavir 3NU3 1.02
HIV-1 PR mutant V32I +  Amprenavir 3NU4* 1.20
HIV-1 PR mutant I50V +  Amprenavir 3NU5 1.29
HIV-1 PR mutant I54M +  Amprenavir 3NU6* 1.16
HIV-1 PR mutant I54V +  Amprenavir 3NUJ* 1.50
HIV-1 PR mutant I84V +  Amprenavir 3NU9* 1.85
HIV-1 PR mutant L90M +  Amprenavir 3NUO* 1.35
HIV-1 PR (Group N) WT +  Darunavir 3MWS 1.09
HIV-1 PR WT +  Darunavir (also called TMC-114 or UIC94017) 2IEN (replaces 1S6G) 1.30
HIV-1 PR mutant D25N +  Darunavir 3BVB 1.30
HIV-1 PR mutant D30N +  Darunavir 2F80 1.45
HIV-1 PR mutant V32I +  Darunavir (Two Binding Sites) 2HS1 0.84
HIV-1 PR mutant M46L +  Darunavir (Two Binding Sites) 2HS2 1.22
HIV-1 PR mutant G48V +  Darunavir 3CYW 1.40
HIV-1 PR mutant I50V +  Darunavir 2F8G 1.22
HIV-1 PR mutant I54M +  Darunavir 3D1Z 1.30
HIV-1 PR mutant I54V +  Darunavir 3D20 1.05
HIV-1 PR mutant L76V +  Darunavir 3PWM 1.46
HIV-1 PR mutant V82A +  Darunavir 2IDW* (replaces 1S65) 1.10
HIV-1 PR mutant I84V +  Darunavir 2IEO (replaces 1S6S) 1.53
HIV-1 PR mutant G86A +  Darunavir 3JVY 1.60
HIV-1 PR mutant G86S +  Darunavir 3JW2 1.80
HIV-1 PR mutant L90M +  Darunavir 2F81 1.25
HIV-1 PR WT +  Saquinavir 3OXC (replaces 2NMW) 1.16
HIV-1 PR mutant I50V +  Saquinavir 3CYX 1.20
HIV-1 PR mutant I54M +  Saquinavir 3D1X 1.05
HIV-1 PR mutant I54V +  Saquinavir 3D1Y* 1.05
HIV-1 PR mutant L76V +  Saquinavir 3PWR 1.45
HIV-1 PR mutant V82A +  Saquinavir (Spacegroup P21212) 2NMY 1.1
HIV-1 PR mutant V82A +  Saquinavir (Spacegroup P212121)
2NMZ 0.97
HIV-1 PR mutant I84V +  Saquinavir (Spacegroup P21212) 2NNK 1.25
HIV-1 PR mutant I84V +  Saquinavir (Spacegroup P212121)
2NNP* 1.2
HIV-1 PR WT +  Indinavir 1SDT* 1.30
HIV-1 PR mutant L24I +  Indinavir 2AVO* 1.10
HIV-1 PR mutant I50V +  Indinavir 2AVS 1.10
HIV-1 PR mutant G73S +  Indinavir (Spacegroup P21 with beta=98) 2AVV 1.50
HIV-1 PR mutant V82A +  Indinavir 1SDV* 1.40
HIV-1 PR mutant L90M +  Indinavir 1SDU* 1.25
HIV-1 PR WT +  GRL-02031 3H5B 1.3
HIV-1 PR mutant I47V +  GRL-02031 3VF5 1.25
HIV-1 PR mutant L76V +  GRL-02031 3VF7* 1.3
HIV-1 PR mutant V82A +  GRL-02031 3VFA 1.43
HIV-1 PR mutant N88D +  GRL-02031 3VFB* 1.55
HIV-1 PR WT +  GRL-0519A 3OK9 1.27
HIV-1 PR mutant R8Q +  GRL-0519A 4HEG 1.46
HIV-1 PR mutant D30N +  GRL-0519A 4HDB 1.49
HIV-1 PR mutant I50V +  GRL-0519A 4HDP 1.22
HIV-1 PR mutant I54M +  GRL-0519A 4HE9 1.06
HIV-1 PR mutant V82A +  GRL-0519A 4HDF 1.29
HIV-1 PR WT +  GRL-98065 2Z4O 1.60
HIV-1 PR mutant D30N +  GRL-98065 2QCI 1.20
HIV-1 PR mutant I50V +  GRL-98065 2QD6 1.28
HIV-1 PR mutant V82A +  GRL-98065 2QD7* 1.11
HIV-1 PR mutant I84V +  GRL-98065 2QD8 1.35
HIV-1 PR WT +  p2/NC (Spacegroup P212121) 1FGC* 1.90
HIV-1 PR WT +  p2/NC (Spacegroup P21212) 2AOD* 1.40
HIV-1 PR mutant L24I +  p2/NC 2AVM* 1.10
HIV-1 PR mutant D25N +  p2/NC 3BVA* 1.05
HIV-1 PR mutant D30N +  p2/NC 1FFI* 1.70
HIV-1 PR mutant K45I +  p2/NC 1FF0* 1.85
HIV-1 PR mutant I50V +  p2/NC 2AVQ* 1.30
HIV-1 PR mutant V82A +  p2/NC 2AOG* 1.10
HIV-1 PR mutant I84V +  p2/NC 2AOC* 1.30
HIV-1 PR mutant N88D +  p2/NC 1FG6* 1.80
HIV-1 PR mutant L90M +  p2/NC 1FEJ* 1.78
HIV-1 PR WT (triple mutant) +  CA/p2 1A8K* 2.00
HIV-1 PR mutant R8Q  +  CA/p2 (Spacegroup P21) 1EBK* 2.06
HIV-1 PR mutant D30N +  CA/p2 1FFF* 1.90
HIV-1 PR mutant K43E +  CA/p2 1A94* 2.00
HIV-1 PR mutant K45I +  CA/p2 1DAZ 1.55
HIV-1 PR mutant V82A +  CA/p2 2AOE 1.54
HIV-1 PR mutant N88D +  CA/p2 1FG8 1.85
HIV-1 PR mutant L90M +  CA/p2 1DW6* 1.88
HIV-1 PR mutant D30N, V82S +  CA/p2 1K2C* 2.20
HIV-1 PR mutant K45I, V82S +  CA/p2 1K1T 1.20
HIV-1 PR mutant K45I, L90M +  CA/p2 1K1U 1.55
HIV-1 PR mutant N88D, L90M +  CA/p2 1K2B 1.70
HIV-1 PR mutant V32I, I47V, V82I +  Amprenavir 3S43* 1.26
HIV-1 PR mutant V32I, I47V, V82I +  Darunavir (Spacegroup P21212) 3S54 1.42
HIV-1 PR mutant V32I, I47V, V82I +  Darunavir (Spacegroup P212121) (Two Binding Sites) 3S53* 1.50
HIV-1 PR mutant V32I, I47V, V82I +  Saquinavir 3S56* 1.88
HIV-1 PR 20 mutations +  YCl3 3UF3 1.65
HIV-1 PR 20 mutations +  Amprenavir (Two Binding Sites) 4J5J 1.80
HIV-1 PR 20 mutations +  Darunavir (Two Binding Sites) 3UCB 1.38
HIV-1 PR 20 mutations +  Saquinavir (Two Binding Sites) 3UFN* 1.45
HIV-1 PR 20 mutations +  GRL-02031 (Two Binding Sites) 4J55* 1.31
HIV-1 PR 20 mutations +  GRL-0519A (Two Binding Sites) 4J54* 1.55
HIV-1 PR 20 mutations +  p2/NC 3UHL* 2.2
HIV-1 PR WT +  p6/PR 2AOJ 1.60
HIV-1 PR mutant V82A +  p6/PR 2AOH 1.42
HIV-1 PR WT +  p1/p6 2AOI 1.38
HIV-1 PR mutant V82A +  p1/p6 2AOF 1.32
HIV-1 PR WT +  GRL-0105A 3DK1 1.07
HIV-1 PR WT +  GRL-0255A 3DJK* 1.00
HIV-1 PR WT +  GRL-0216A 3I6O 1.17
HIV-1 PR WT +  GRL-0249A 4DFG 1.23
HIV-1 PR WT +  GRL-0489A 3ST5 1.45
HIV-1 PR WT +  GRL-06579A 2HB3* 1.35
HIV-1 PR WT +  GRL-0739A 4KB9 1.29
HIV-1 PR WT +  GRL-044-10A 3QAA 1.40
HIV-1 PR mutant G86A +  DMP323 3JVW* 1.80
HIV-1 PR WT +  intermediate 4FL8 1.20
HIV-1 PR mutant V32I +  self proteolytic product 4FM6* 1.40
HIV-1 PR mutant I47V +  self proteolytic product 4FLG 1.31
HIV-1 PR WT +  self proteolytic product (with gem-diol-amine tetrahedral intermediate NLLTQI) 3B7V 1.46
HIV-1 PR mutant I54V +  self proteolytic product (with gem-diol-amine tetrahedral intermediate NLLTQI) 3B80 1.50
HIV-1 PR mutant F53L +  No inhibitor 2G69 1.35
Precursor HIV PR WT +  Darunavir 3TKW 1.55
Precursor HIV PR WT +  Saquinavir (2-dimer) 3TKG 1.36
Precursor HIV PR WT +  Saquinavir 3TL9 1.32
HIV-2 PR WT +  Amprenavir 3S45* 1.51
HIV-2 PR WT +  Darunavir 3EBZ* 1.20
HIV-2 PR WT +  GRL-98065 3ECG* 1.18
HIV-2 PR WT +  GRL-06579A 3EC0* 1.18
RSV PR engineered to recognize HIV-1 PR inhibitors + CA/p2 1BAI* 2.40
*: single orientation for the inhibitor or substrate analog
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