4NJU
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![BU of 4nju by Molmil](/molmil-images/mine/4nju) | Crystal structure of multidrug-resistant clinical isolate A02 HIV-1 protease in complex with tipranavir | Descriptor: | N-(3-{(1R)-1-[(6R)-4-HYDROXY-2-OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO-2H-PYRAN-3-YL]PROPYL}PHENYL)-5-(TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE, Protease | Authors: | Yedidi, R.S, Garimella, H, Kaufman, J.D, Das, D, Wingfield, P.T, Mitsuya, H. | Deposit date: | 2013-11-11 | Release date: | 2014-04-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A Conserved Hydrogen-Bonding Network of P2 bis-Tetrahydrofuran-Containing HIV-1 Protease Inhibitors (PIs) with a Protease Active-Site Amino Acid Backbone Aids in Their Activity against PI-Resistant HIV. Antimicrob.Agents Chemother., 58, 2014
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4NJT
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![BU of 4njt by Molmil](/molmil-images/mine/4njt) | Crystal structure of multidrug-resistant clinical isolate A02 HIV-1 protease in complex with darunavir | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease | Authors: | Yedidi, R.S, Garimella, H, Chang, S.B, Kaufman, J.D, Das, D, Wingfield, P.T, Ghosh, A.K, Mitsuya, H. | Deposit date: | 2013-11-11 | Release date: | 2014-04-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A Conserved Hydrogen-Bonding Network of P2 bis-Tetrahydrofuran-Containing HIV-1 Protease Inhibitors (PIs) with a Protease Active-Site Amino Acid Backbone Aids in Their Activity against PI-Resistant HIV. Antimicrob.Agents Chemother., 58, 2014
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3PGT
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![BU of 3pgt by Molmil](/molmil-images/mine/3pgt) | CRYSTAL STRUCTURE OF HGSTP1-1[I104] COMPLEXED WITH THE GSH CONJUGATE OF (+)-ANTI-BPDE | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-AMINO-4-[1-(CARBOXYMETHYL-CARBAMOYL)-2-(9-HYDROXY-7,8-DIOXO-7,8,9,10-TETRAHYDRO-BENZO[DEF]CHRYSEN-10-YLSULFANYL)-ETHYLCARBAMOYL]-BUTYRIC ACID, PROTEIN (GLUTATHIONE S-TRANSFERASE), ... | Authors: | Ji, X, Xiao, B. | Deposit date: | 1999-03-22 | Release date: | 1999-09-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Structure and function of residue 104 and water molecules in the xenobiotic substrate-binding site in human glutathione S-transferase P1-1. Biochemistry, 38, 1999
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4BPH
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![BU of 4bph by Molmil](/molmil-images/mine/4bph) | High resolution crystal structure of Bacillus subtilis DltC | Descriptor: | 4'-PHOSPHOPANTETHEINE, D-ALANINE--POLY(PHOSPHORIBITOL) LIGASE SUBUNIT 2, MAGNESIUM ION | Authors: | Zimmermann, S, Neumann, P, Stubbs, M.T. | Deposit date: | 2013-05-26 | Release date: | 2014-06-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | High-Resolution Structures of the D-Alanyl Carrier Protein (Dcp) Dltc from Bacillus Subtilis Reveal Equivalent Conformations of Apo- and Holo-Forms FEBS Lett., 589, 2015
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3PO6
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![BU of 3po6 by Molmil](/molmil-images/mine/3po6) | Crystal structure of human carbonic anhydrase II with 6,7-Dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide | Descriptor: | (1R)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide, (1S)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide, ACETATE ION, ... | Authors: | Mader, P, Brynda, J, Gitto, R, Agnello, S, Ferro, S, De Luca, L, Vullo, D, Supuran, C.T, Chimirri, A. | Deposit date: | 2010-11-22 | Release date: | 2011-04-06 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Structural basis for the interaction between carbonic anhydrase and 1,2,3,4-tetrahydroisoquinolin-2-ylsulfonamides. J.Med.Chem., 54, 2011
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4NJV
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![BU of 4njv by Molmil](/molmil-images/mine/4njv) | Crystal structure of multidrug-resistant clinical isolate A02 HIV-1 protease in complex with ritonavir | Descriptor: | Protease, RITONAVIR | Authors: | Yedidi, R.S, Garimella, H, Chang, S.B, Kaufman, J.D, Das, D, Wingfield, P.T, Mitsuya, H. | Deposit date: | 2013-11-11 | Release date: | 2014-04-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A Conserved Hydrogen-Bonding Network of P2 bis-Tetrahydrofuran-Containing HIV-1 Protease Inhibitors (PIs) with a Protease Active-Site Amino Acid Backbone Aids in Their Activity against PI-Resistant HIV. Antimicrob.Agents Chemother., 58, 2014
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6XHP
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![BU of 6xhp by Molmil](/molmil-images/mine/6xhp) | Crystal structure of S. aureus TarI (space group C121) | Descriptor: | Ribitol-5-phosphate cytidylyltransferase 1, TETRAETHYLENE GLYCOL | Authors: | Li, F.K.K, Strynadka, N.C.J. | Deposit date: | 2020-06-19 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystallographic analysis of TarI and TarJ, a cytidylyltransferase and reductase pair for CDP-ribitol synthesis in Staphylococcus aureus wall teichoic acid biogenesis. J.Struct.Biol., 213, 2021
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3QLH
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![BU of 3qlh by Molmil](/molmil-images/mine/3qlh) | HIV-1 Reverse Transcriptase in Complex with Manicol at the RNase H Active Site and TMC278 (Rilpivirine) at the NNRTI Binding Pocket | Descriptor: | (2S)-5,7-dihydroxy-9-methyl-2-(prop-1-en-2-yl)-1,2,3,4-tetrahydro-6H-benzo[7]annulen-6-one, 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ... | Authors: | Himmel, D.M, Wojtak, K, Bauman, J.D, Arnold, E. | Deposit date: | 2011-02-02 | Release date: | 2011-12-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Synthesis, activity, and structural analysis of novel alpha-hydroxytropolone inhibitors of human immunodeficiency virus reverse transcriptase-associated ribonuclease H. J.Med.Chem., 54, 2011
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3Q5H
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![BU of 3q5h by Molmil](/molmil-images/mine/3q5h) | Clinically Useful Alkyl Amine Renin Inhibitors | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Renin, ... | Authors: | Wu, Z, McKeever, B.M. | Deposit date: | 2010-12-28 | Release date: | 2011-11-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Discovery of VTP-27999, an Alkyl Amine Renin Inhibitor with Potential for Clinical Utility. ACS Med Chem Lett, 2, 2011
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6WQA
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![BU of 6wqa by Molmil](/molmil-images/mine/6wqa) | 2.0A angstrom A2a adenosine receptor structure using XFEL data collected in helium atmosphere. | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ... | Authors: | Lee, M.-Y, Geiger, J, Ishchenko, A, Han, G.W, Barty, A, White, T.A, Gati, C, Batyuk, A, Hunter, M.S, Aquila, A, Boutet, S, Weierstall, U, Cherezov, V, Liu, W. | Deposit date: | 2020-04-28 | Release date: | 2020-11-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Harnessing the power of an X-ray laser for serial crystallography of membrane proteins crystallized in lipidic cubic phase Iucrj, 7, 2020
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4NJS
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![BU of 4njs by Molmil](/molmil-images/mine/4njs) | Crystal structure of multidrug-resistant clinical isolate A02 HIV-1 protease in complex with non-peptidic inhibitor, GRL008 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-carbamoylphenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, Protease | Authors: | Yedidi, R.S, Garimella, H, Kaufman, J.D, Das, D, Wingfield, P.T, Ghosh, A.K, Mitsuya, H. | Deposit date: | 2013-11-11 | Release date: | 2014-04-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A Conserved Hydrogen-Bonding Network of P2 bis-Tetrahydrofuran-Containing HIV-1 Protease Inhibitors (PIs) with a Protease Active-Site Amino Acid Backbone Aids in Their Activity against PI-Resistant HIV. Antimicrob.Agents Chemother., 58, 2014
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7UID
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![BU of 7uid by Molmil](/molmil-images/mine/7uid) | Thyclotides peptide nucleic acid in complex with DNA | Descriptor: | CHLORIDE ION, DNA (5'-D(*GP*AP*TP*GP*TP*GP*AP*TP*A)-3'), Thyclotide, ... | Authors: | Botos, I, Appella, D.H. | Deposit date: | 2022-03-29 | Release date: | 2023-04-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Variation of Tetrahydrofurans in Thyclotides Enhances Oligonucleotide Binding and Cellular Uptake of Peptide Nucleic Acids. Jacs Au, 3, 2023
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5OK2
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![BU of 5ok2 by Molmil](/molmil-images/mine/5ok2) | |
4F9B
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![BU of 4f9b by Molmil](/molmil-images/mine/4f9b) | Human CDC7 kinase in complex with DBF4 and PHA767491 | Descriptor: | 2-(pyridin-4-yl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one, Cell division cycle 7-related protein kinase, Protein DBF4 homolog A, ... | Authors: | Hughes, S, Cherepanov, P. | Deposit date: | 2012-05-18 | Release date: | 2012-10-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of human CDC7 kinase in complex with its activator DBF4. Nat.Struct.Mol.Biol., 19, 2012
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7CCN
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![BU of 7ccn by Molmil](/molmil-images/mine/7ccn) | The binding structure of a lanthanide binding tag (LBT3) with lutetium ion (Lu3+) | Descriptor: | LBT3, LUTETIUM (III) ION | Authors: | Hatanaka, T, Kikkawa, N, Matsugami, A, Hosokawa, Y, Hayashi, F, Ishida, N. | Deposit date: | 2020-06-17 | Release date: | 2021-04-28 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | The origins of binding specificity of a lanthanide ion binding peptide. Sci Rep, 10, 2020
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8RGG
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![BU of 8rgg by Molmil](/molmil-images/mine/8rgg) | Structure of dynein-2 intermediate chain DYNC2I2 (WDR34) in complex with dynein-2 heavy chain DYNC2H1. | Descriptor: | Cytoplasmic dynein 2 intermediate chain 1, Cytoplasmic dynein 2 intermediate chain 2, Dynein light chain 1, ... | Authors: | Mukhopadhyay, A.G, Toropova, K, Daly, L, Wells, J, Vuolo, L, Mladenov, M, Seda, M, Jenkins, D, Stephens, D.J, Roberts, A.J. | Deposit date: | 2023-12-13 | Release date: | 2024-03-20 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structure and tethering mechanism of dynein-2 intermediate chains in intraflagellar transport. Embo J., 43, 2024
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8RGH
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![BU of 8rgh by Molmil](/molmil-images/mine/8rgh) | Structure of dynein-2 intermediate chain DYNC2I1 (WDR60) in complex with the dynein-2 heavy chain DYNC2H1. | Descriptor: | Cytoplasmic dynein 2 intermediate chain 1, Cytoplasmic dynein 2 intermediate chain 2, Cytoplasmic dynein 2 light intermediate chain 1, ... | Authors: | Mukhopadhyay, A.G, Toropova, K, Daly, L, Wells, J, Vuolo, L, Seda, M, Jenkins, D, Stephens, D.J, Roberts, A.J. | Deposit date: | 2023-12-13 | Release date: | 2024-03-20 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structure and tethering mechanism of dynein-2 intermediate chains in intraflagellar transport. Embo J., 43, 2024
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4NXL
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![BU of 4nxl by Molmil](/molmil-images/mine/4nxl) | Dibenzothiophene monooxygenase (DszC) from Rhodococcus erythropolis | Descriptor: | DszC | Authors: | Zhang, L, Duan, X, Li, X, Rao, Z. | Deposit date: | 2013-12-09 | Release date: | 2014-07-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural insights into the stabilization of active, tetrameric DszC by its C-terminus. Proteins, 82, 2014
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4PGT
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![BU of 4pgt by Molmil](/molmil-images/mine/4pgt) | CRYSTAL STRUCTURE OF HGSTP1-1[V104] COMPLEXED WITH THE GSH CONJUGATE OF (+)-ANTI-BPDE | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-AMINO-4-[1-(CARBOXYMETHYL-CARBAMOYL)-2-(9-HYDROXY-7,8-DIOXO-7,8,9,10-TETRAHYDRO-BENZO[DEF]CHRYSEN-10-YLSULFANYL)-ETHYLCARBAMOYL]-BUTYRIC ACID, PROTEIN (GLUTATHIONE S-TRANSFERASE), ... | Authors: | Ji, X, Blaszczyk, J. | Deposit date: | 1999-03-22 | Release date: | 1999-09-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure and function of residue 104 and water molecules in the xenobiotic substrate-binding site in human glutathione S-transferase P1-1. Biochemistry, 38, 1999
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4PZQ
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![BU of 4pzq by Molmil](/molmil-images/mine/4pzq) | Crystal Structure of CCG DNA repeats | Descriptor: | COBALT (II) ION, DNA (5'-D(*TP*CP*CP*GP*CP*CP*GP*CP*CP*GP*A)-3') | Authors: | Chen, Y.W, Hou, M.H. | Deposit date: | 2014-03-31 | Release date: | 2015-01-07 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Structural basis for the identification of an i-motif tetraplex core with a parallel-duplex junction as a structural motif in CCG triplet repeats Angew.Chem.Int.Ed.Engl., 53, 2014
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3RSF
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![BU of 3rsf by Molmil](/molmil-images/mine/3rsf) | Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima in complex with P1,P4-Di(adenosine-5') tetraphosphate | Descriptor: | BIS(ADENOSINE)-5'-TETRAPHOSPHATE, POTASSIUM ION, Putative uncharacterized protein, ... | Authors: | Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W. | Deposit date: | 2011-05-02 | Release date: | 2011-06-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Identification of unknown protein function using metabolite cocktail screening. Structure, 20, 2012
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3FHN
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![BU of 3fhn by Molmil](/molmil-images/mine/3fhn) | Structure of Tip20p | Descriptor: | Protein transport protein TIP20 | Authors: | Tripathi, A, Ren, Y, Jeffrey, P.D, Hughson, F.M. | Deposit date: | 2008-12-09 | Release date: | 2009-01-20 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural characterization of Tip20p and Dsl1p, subunits of the Dsl1p vesicle tethering complex. Nat.Struct.Mol.Biol., 16, 2009
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5OVS
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![BU of 5ovs by Molmil](/molmil-images/mine/5ovs) | Thiobacillus denitrificans BPH | Descriptor: | BPH | Authors: | Fuchs, A.C.D, Albrecht, R, Martin, J, Hartmann, M.D. | Deposit date: | 2017-08-29 | Release date: | 2017-12-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural characterization of the bacterial proteasome homolog BPH reveals a tetradecameric double-ring complex with unique inner cavity properties. J. Biol. Chem., 293, 2018
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3QRN
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![BU of 3qrn by Molmil](/molmil-images/mine/3qrn) | |
4BXK
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![BU of 4bxk by Molmil](/molmil-images/mine/4bxk) | Crystal structure of the Angiotensin-1 converting enzyme N-domain in complex with a domain-specific inhibitor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ANGIOTENSIN-CONVERTING ENZYME, ... | Authors: | Douglas, R.G, Sharma, R.K, Masuyer, G, Lubbe, L, Zamora, I, Acharya, K.R, Chibale, K, Sturrock, E.D. | Deposit date: | 2013-07-12 | Release date: | 2013-09-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Fragment-Based Design for the Development of N-Domain Selective Angiotensin-1 Converting Enzyme Inhibitors Clin.Sci., 126, 2014
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