3CMF
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![BU of 3cmf by Molmil](/molmil-images/mine/3cmf) | Crystal structure of human liver 5beta-reductase (AKR1D1) in complex with NADP and CORTISONE. Resolution 1.90 A. | Descriptor: | 17,21-DIHYDROXYPREGNA-1,4-DIENE-3,11,20-TRIONE, 3-oxo-5-beta-steroid 4-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Di Costanzo, L, Drury, J, Penning, T.M, Christianson, D.W. | Deposit date: | 2008-03-21 | Release date: | 2008-04-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of Human Liver {Delta}4-3-Ketosteroid 5{beta}-Reductase (AKR1D1) and Implications for Substrate Binding and Catalysis. J.Biol.Chem., 283, 2008
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6QPU
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![BU of 6qpu by Molmil](/molmil-images/mine/6qpu) | Crystal structure of as isolated synthetic core domain of nitrite reductase from Ralstonia pickettii (residues 1-331) | Descriptor: | CHLORIDE ION, COPPER (II) ION, Copper-containing nitrite reductase, ... | Authors: | Antonyuk, S.V, Hedison, T.M, Eady, R.R, Hasnain, S.S, Scrutton, N.S. | Deposit date: | 2019-02-15 | Release date: | 2019-11-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Unexpected Roles of a Tether Harboring a Tyrosine Gatekeeper Residue in Modular Nitrite Reductase Catalysis. Acs Catalysis, 9, 2019
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6QPT
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![BU of 6qpt by Molmil](/molmil-images/mine/6qpt) | Crystal structure of nitrite bound synthetic core domain of nitrite reductase from Ralstonia pickettii (residues 1-331) | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, NITRITE ION, ... | Authors: | Antonyuk, S.V, Hedison, T.M, Eady, R.R, Hasnain, S.S, Scrutton, N.S. | Deposit date: | 2019-02-15 | Release date: | 2019-11-06 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Unexpected Roles of a Tether Harboring a Tyrosine Gatekeeper Residue in Modular Nitrite Reductase Catalysis. Acs Catalysis, 9, 2019
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6QPX
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![BU of 6qpx by Molmil](/molmil-images/mine/6qpx) | Crystal structure of nitrite bound Y323A mutant of haem-Cu containing nitrite reductase from Ralstonia pickettii | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, HEME C, ... | Authors: | Antonyuk, S.V, Shenoy, R.T, Hedison, T.M, Eady, R.R, Hasnain, S.S, Scrutton, N.S. | Deposit date: | 2019-02-15 | Release date: | 2019-11-06 | Last modified: | 2020-02-26 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Unexpected Roles of a Tether Harboring a Tyrosine Gatekeeper Residue in Modular Nitrite Reductase Catalysis. Acs Catalysis, 9, 2019
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6QQ2
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![BU of 6qq2 by Molmil](/molmil-images/mine/6qq2) | Crystal structure of nitrite bound Y323F mutant of haem-Cu containing nitrite reductase from Ralstonia pickettii | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, HEME C, ... | Authors: | Antonyuk, S.V, Shenoy, R.T, Hedison, T.M, Eady, R.R, Hasnain, S.S, Scrutton, N.S. | Deposit date: | 2019-02-16 | Release date: | 2019-11-06 | Last modified: | 2020-02-26 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Unexpected Roles of a Tether Harboring a Tyrosine Gatekeeper Residue in Modular Nitrite Reductase Catalysis. Acs Catalysis, 9, 2019
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1AIG
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![BU of 1aig by Molmil](/molmil-images/mine/1aig) | PHOTOSYNTHETIC REACTION CENTER FROM RHODOBACTER SPHAEROIDES IN THE D+QB-CHARGE SEPARATED STATE | Descriptor: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (II) ION, ... | Authors: | Stowell, M.H.B, Mcphillips, T.M, Soltis, S.M, Rees, D.C, Abresch, E, Feher, G. | Deposit date: | 1997-04-17 | Release date: | 1997-10-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Light-induced structural changes in photosynthetic reaction center: implications for mechanism of electron-proton transfer. Science, 276, 1997
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6QQ1
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![BU of 6qq1 by Molmil](/molmil-images/mine/6qq1) | Crystal structure of as isolated Y323F mutant of haem-Cu containing nitrite reductase from Ralstonia pickettii | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ... | Authors: | Antonyuk, S.V, Shenoy, R.T, Hedison, T.M, Eady, R.R, Hasnain, S.S, Scrutton, N.S. | Deposit date: | 2019-02-16 | Release date: | 2019-11-06 | Last modified: | 2020-02-26 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Unexpected Roles of a Tether Harboring a Tyrosine Gatekeeper Residue in Modular Nitrite Reductase Catalysis. Acs Catalysis, 9, 2019
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6QSX
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![BU of 6qsx by Molmil](/molmil-images/mine/6qsx) | Complement factor B protease domain in complex with the reversible inhibitor ((2S,4S)-1-((5,7-dimethyl-1H-indol-4-yl)methyl)-4-methoxypiperidin-2-yl)methanol. | Descriptor: | Complement factor B, SULFATE ION, ZINC ION, ... | Authors: | Adams, C.M, Sellner, H, Ehara, T, Mac Sweeney, A, Crowley, M, Anderson, K, Karki, R, Mainolfi, N, Valeur, E, Sirockin, F, Gerhartz, B, Erbel, P, Hughes, N, Smith, T.M, Cumin, F, Argikar, U, Mogi, M, Sedrani, R, Wiesmann, C, Jaffee, B, Maibaum, J, Flohr, S, Harrison, R, Eder, J. | Deposit date: | 2019-02-22 | Release date: | 2019-03-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Small-molecule factor B inhibitor for the treatment of complement-mediated diseases. Proc.Natl.Acad.Sci.USA, 116, 2019
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3DG8
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![BU of 3dg8 by Molmil](/molmil-images/mine/3dg8) | Quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with RJF670, NADPH, and dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, N-(3,5-dimethoxyphenyl)imidodicarbonimidic diamide, ... | Authors: | Dasgupta, T, Chitnumsub, P, Maneeruttanarungroj, C, Kamchonwongpaisan, S, Nichols, S, Lyons, T.M, Tirado-Rives, J, Jorgensen, W.L, Yuthavong, Y, Anderson, K.S. | Deposit date: | 2008-06-13 | Release date: | 2009-01-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Exploiting structural analysis, in silico screening, and serendipity to identify novel inhibitors of drug-resistant falciparum malaria. Acs Chem.Biol., 4, 2009
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8QJK
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![BU of 8qjk by Molmil](/molmil-images/mine/8qjk) | Structure of the cytoplasmic domain of csx23 from Vibrio cholera in complex with cyclic tetra-adenylate (cA4) | Descriptor: | ACETYL GROUP, Cyclic tetraadenosine monophosphate (cA4), SODIUM ION, ... | Authors: | McMahon, S.A, McQuarrie, S, Gloster, T.M, Gruschow, S, White, M.F. | Deposit date: | 2023-09-13 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.761 Å) | Cite: | A cyclic-nucleotide binding membrane protein provides CRISPR-mediated antiphage defence in Vibrio cholera To Be Published
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8VCY
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![BU of 8vcy by Molmil](/molmil-images/mine/8vcy) | Human TCR A2.13 in complex with DQ8-InsC8-15NPY | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hybrid insulin peptide (HIP; InsC8-15-NPY68-74), ... | Authors: | Tran, T.M, Lim, J.J, Loh, T.Y, Mannering, I.S, Rossjohn, J, Reid, H.H. | Deposit date: | 2023-12-14 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A structural basis of T cell cross-reactivity to a native and spliced self-antigens presented by HLA-DQ8 To Be Published
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8VD2
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![BU of 8vd2 by Molmil](/molmil-images/mine/8vd2) | Human TCR ET650-4 in complex with DQ8-InsC8-15-IAPP1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hybrid insulin peptide (HIP; InsC8-15-IAPP23-29 ), MHC class II HLA-DQ-alpha chain, ... | Authors: | Tran, T.M, Lim, J.J, Loh, T.Y, Mannering, I.S, Rossjohn, J, Reid, H.H. | Deposit date: | 2023-12-14 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A structural basis of T cell cross-reactivity to a native and spliced self-antigens presented by HLA-DQ8 To Be Published
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8VD0
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![BU of 8vd0 by Molmil](/molmil-images/mine/8vd0) | Human TCR ET650-4 in complex with DQ8-InsC8-15-IAPP2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hybrid insulin peptide (HIP; InsC8-15-IAPP74-80),MHC class II HLA-DQ-beta-1 chimera, ... | Authors: | Tran, T.M, Lim, J.J, Loh, T.Y, Mannering, I.S, Rossjohn, J, Reid, H.H. | Deposit date: | 2023-12-14 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A structural basis of T cell cross-reactivity to a native and spliced self-antigens presented by HLA-DQ8 To Be Published
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8VDU
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![BU of 8vdu by Molmil](/molmil-images/mine/8vdu) | Crystal structure of hybrid insulin peptide (InsC8-15-IAPP74-80) bound to HLA-DQ8 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, Hybrid insulin peptide (HIP; InsC8-15-IAPP74-80), ... | Authors: | Tran, T.M, Lim, J.J, Loh, T.Y, Mannering, I.S, Rossjohn, J, Reid, H.H. | Deposit date: | 2023-12-17 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | A structural basis of T cell cross-reactivity to a native and spliced self-antigens presented by HLA-DQ8 To Be Published
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8VDD
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![BU of 8vdd by Molmil](/molmil-images/mine/8vdd) | Crystal structure of Proinsulin C-peptide bound to HLA-DQ8 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, MHC class II HLA-DQ-alpha chain, ... | Authors: | Tran, T.M, Lim, J.J, Loh, T.Y, Mannering, I.S, Rossjohn, J, Reid, H.H. | Deposit date: | 2023-12-14 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A structural basis of T cell cross-reactivity to a native and spliced self-antigens presented by HLA-DQ8 To Be Published
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3DT6
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![BU of 3dt6 by Molmil](/molmil-images/mine/3dt6) | |
1BAU
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![BU of 1bau by Molmil](/molmil-images/mine/1bau) | NMR STRUCTURE OF THE DIMER INITIATION COMPLEX OF HIV-1 GENOMIC RNA, MINIMIZED AVERAGE STRUCTURE | Descriptor: | SL1 RNA DIMER | Authors: | Mujeeb, A, Clever, J.L, Billeci, T.M, James, T.L, Parslow, T.G. | Deposit date: | 1998-04-18 | Release date: | 1999-04-27 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structure of the dimer initiation complex of HIV-1 genomic RNA. Nat.Struct.Biol., 5, 1998
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1A5U
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![BU of 1a5u by Molmil](/molmil-images/mine/1a5u) | PYRUVATE KINASE COMPLEX WITH BIS MG-ATP-NA-OXALATE | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, OXALATE ION, ... | Authors: | Larsen, T.M, Benning, M.M, Rayment, I, Reed, G.H. | Deposit date: | 1998-02-18 | Release date: | 1999-03-02 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure of the bis(Mg2+)-ATP-oxalate complex of the rabbit muscle pyruvate kinase at 2.1 A resolution: ATP binding over a barrel. Biochemistry, 37, 1998
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1ABN
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![BU of 1abn by Molmil](/molmil-images/mine/1abn) | |
6QJB
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![BU of 6qjb by Molmil](/molmil-images/mine/6qjb) | Truncated Evasin-3 (tEv3 17-56) | Descriptor: | Evasin-3 | Authors: | Denisov, S.S, Ippel, J.H, Heinzman, A.C.A, Koenen, R.R, Ortega-Gomez, A, Soehnlein, O, Hackeng, T.M, Dijkgraaf, I. | Deposit date: | 2019-01-24 | Release date: | 2019-07-03 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Tick saliva protein Evasin-3 modulates chemotaxis by disrupting CXCL8 interactions with glycosaminoglycans and CXCR2. J.Biol.Chem., 294, 2019
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6QSW
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![BU of 6qsw by Molmil](/molmil-images/mine/6qsw) | Complement factor B protease domain in complex with the reversible inhibitor N-(2-bromo-4-methylnaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine. | Descriptor: | Complement factor B, SULFATE ION, ~{N}-(2-bromanyl-4-methyl-naphthalen-1-yl)-4,5-dihydro-1~{H}-imidazol-2-amine | Authors: | Adams, C.M, Sellner, H, Ehara, T, Mac Sweeney, A, Crowley, M, Anderson, K, Karki, R, Mainolfi, N, Valeur, E, Sirockin, F, Gerhartz, B, Erbel, P, Hughes, N, Smith, T.M, Cumin, F, Argikar, U, Mogi, M, Sedrani, R, Wiesmann, C, Jaffee, B, Maibaum, J, Flohr, S, Harrison, R, Eder, J. | Deposit date: | 2019-02-22 | Release date: | 2019-03-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Small-molecule factor B inhibitor for the treatment of complement-mediated diseases. Proc.Natl.Acad.Sci.USA, 116, 2019
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3DGA
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![BU of 3dga by Molmil](/molmil-images/mine/3dga) | Wild-type Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with RJF01302, NADPH, and dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, N-[2-chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide, ... | Authors: | Dasgupta, T, Chitnumsub, P, Maneeruttanarungroj, C, Kamchonwongpaisan, S, Nichols, S, Lyons, T.M, Tirado-Rives, J, Jorgensen, W.L, Yuthavong, Y, Anderson, K.S. | Deposit date: | 2008-06-13 | Release date: | 2009-01-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Exploiting structural analysis, in silico screening, and serendipity to identify novel inhibitors of drug-resistant falciparum malaria. Acs Chem.Biol., 4, 2009
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1AFS
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![BU of 1afs by Molmil](/molmil-images/mine/1afs) | RECOMBINANT RAT LIVER 3-ALPHA-HYDROXYSTEROID DEHYDROGENASE (3-ALPHA-HSD) COMPLEXED WITH NADP AND TESTOSTERONE | Descriptor: | 3-ALPHA-HYDROXYSTEROID DEHYDROGENASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TESTOSTERONE | Authors: | Bennett, M.J, Albert, R.H, Jez, J.M, Ma, H, Penning, T.M, Lewis, M. | Deposit date: | 1997-03-13 | Release date: | 1997-10-08 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Steroid recognition and regulation of hormone action: crystal structure of testosterone and NADP+ bound to 3 alpha-hydroxysteroid/dihydrodiol dehydrogenase. Structure, 5, 1997
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6RAV
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![BU of 6rav by Molmil](/molmil-images/mine/6rav) | Complement factor B protease domain in complex with the reversible inhibitor 4-((2S,4S)-4-ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic acid | Descriptor: | 4-[(2~{S},4~{S})-4-ethoxy-1-[(5-methoxy-7-methyl-1~{H}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid, Complement factor B, SULFATE ION, ... | Authors: | Adams, C.M, Sellner, H, Ehara, T, Mac Sweeney, A, Crowley, M, Anderson, K, Karki, R, Mainolfi, N, Valeur, E, Sirockin, F, Gerhartz, B, Erbel, P, Hughes, N, Smith, T.M, Cumin, F, Argikar, U, Mogi, M, Sedrani, R, Wiesmann, C, Jaffee, B, Maibaum, J, Flohr, S, Harrison, R, Eder, J. | Deposit date: | 2019-04-08 | Release date: | 2019-04-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Small-molecule factor B inhibitor for the treatment of complement-mediated diseases. Proc.Natl.Acad.Sci.USA, 116, 2019
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3DT9
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![BU of 3dt9 by Molmil](/molmil-images/mine/3dt9) | Crystal Structure of Bovin Brain Platelet Activating Factor Acetylhydrolase Covalently Inhibited by Soman | Descriptor: | (1R)-1,2,2-TRIMETHYLPROPYL (R)-METHYLPHOSPHINATE, Brain Platelet-activating factor acetylhydrolase IB subunit alpha | Authors: | Epstein, T.M, Samanta, U, Bahnson, B.J. | Deposit date: | 2008-07-14 | Release date: | 2009-05-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structures of brain group-VIII phospholipase A2 in nonaged complexes with the organophosphorus nerve agents soman and sarin. Biochemistry, 48, 2009
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