7SEI
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![BU of 7sei by Molmil](/molmil-images/mine/7sei) | Glucose-6-phosphate 1-dehydrogenase (K403Q) | Descriptor: | Glucose-6-phosphate 1-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Mathews, I.I, Garcia, A.A, Wakatsuki, S, Mochly-Rosen, D. | Deposit date: | 2021-09-30 | Release date: | 2022-08-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.65 Å) | Cite: | Stabilization of glucose-6-phosphate dehydrogenase oligomers enhances catalytic activity and stability of clinical variants. J.Biol.Chem., 298, 2022
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6FVU
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![BU of 6fvu by Molmil](/molmil-images/mine/6fvu) | 26S proteasome, s2 state | Descriptor: | 26S proteasome complex subunit SEM1, 26S proteasome regulatory subunit 4 homolog, 26S proteasome regulatory subunit 6A, ... | Authors: | Eisele, M.R, Reed, R.G, Rudack, T, Schweitzer, A, Beck, F, Nagy, I, Pfeifer, G, Plitzko, J.M, Baumeister, W, Tomko, R.J, Sakata, E. | Deposit date: | 2018-03-05 | Release date: | 2018-08-22 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Expanded Coverage of the 26S Proteasome Conformational Landscape Reveals Mechanisms of Peptidase Gating. Cell Rep, 24, 2018
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8P28
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![BU of 8p28 by Molmil](/molmil-images/mine/8p28) | Cryo-EM structure of the anaerobic ribonucleotide reductase from Prevotella copri in its tetrameric, dATP-bound state | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Anaerobic ribonucleoside-triphosphate reductase, MAGNESIUM ION | Authors: | Banerjee, I, Bimai, O, Sjoberg, B.M, Logan, D.T. | Deposit date: | 2023-05-15 | Release date: | 2023-08-30 | Method: | ELECTRON MICROSCOPY (2.77 Å) | Cite: | Activity modulation in anaerobic ribonucleotide reductase: nucleotide binding to the ATP-cone mediates long-range order-disorder transitions in the active site To Be Published
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8P2C
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![BU of 8p2c by Molmil](/molmil-images/mine/8p2c) | Cryo-EM structure of the anaerobic ribonucleotide reductase from Prevotella copri in its tetrameric state produced in the presence of dATP and CTP | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Anaerobic ribonucleoside-triphosphate reductase, MAGNESIUM ION | Authors: | Banerjee, I, Bimai, O, Sjoberg, B.M, Logan, D.T. | Deposit date: | 2023-05-15 | Release date: | 2023-09-13 | Method: | ELECTRON MICROSCOPY (2.59 Å) | Cite: | Activity modulation in anaerobic ribonucleotide reductase: nucleotide binding to the ATP-cone mediates long-range order-disorder transitions in the active site eLife, 2023
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1ZSX
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![BU of 1zsx by Molmil](/molmil-images/mine/1zsx) | Crystal Structure Of Human Potassium Channel Kv Beta-subunit (KCNAB2) | Descriptor: | CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Voltage-gated potassium channel beta-2 subunit | Authors: | Wennerstrand, P, Johannsson, I, Ugochukwu, E, Kavanagh, K, Edwards, A, Arrowsmith, C, Williams, L, Sundstrom, M, Guo, K, von Delft, F, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2005-05-25 | Release date: | 2005-06-07 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure Of Human Potassium Channel Kv Beta-subunit (KCNAB2) To be Published
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1ZXC
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![BU of 1zxc by Molmil](/molmil-images/mine/1zxc) | Crystal structure of catalytic domain of TNF-alpha converting enzyme (TACE) with inhibitor | Descriptor: | (3S)-4-{[4-(BUT-2-YNYLOXY)PHENYL]SULFONYL}-N-HYDROXY-2,2-DIMETHYLTHIOMORPHOLINE-3-CARBOXAMIDE, ADAM 17, ZINC ION | Authors: | Levin, J.I, Chen, J.M, Laakso, L.M, Du, M, Schmid, J, Xu, W, Cummons, T, Xu, J, Zhang, Y, Jin, G, Cowling, R, Barone, D, Skotnicki, J.S. | Deposit date: | 2005-06-07 | Release date: | 2005-09-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Acetylenic TACE inhibitors. Part 2: SAR of six-membered cyclic sulfonamide hydroxamates. Bioorg.Med.Chem.Lett., 15, 2005
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6W2S
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![BU of 6w2s by Molmil](/molmil-images/mine/6w2s) | Structure of the Cricket Paralysis Virus 5-UTR IRES (CrPV 5-UTR-IRES) bound to the small ribosomal subunit in the open state (Class 1) | Descriptor: | 18S rRNA, CrPV 5'-UTR IRES, Eukaryotic translation initiation factor 3 subunit A, ... | Authors: | Neupane, R, Pisareva, V, Rodriguez, C.F, Pisarev, A, Fernandez, I.S. | Deposit date: | 2020-03-08 | Release date: | 2020-04-22 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.47 Å) | Cite: | A complex IRES at the 5'-UTR of a viral mRNA assembles a functional 48S complex via an uAUG intermediate. Elife, 9, 2020
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255D
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![BU of 255d by Molmil](/molmil-images/mine/255d) | |
25C8
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![BU of 25c8 by Molmil](/molmil-images/mine/25c8) | CATALYTIC ANTIBODY 5C8, FAB-HAPTEN COMPLEX | Descriptor: | IGG 5C8, N-METHYL-N-(PARA-GLUTARAMIDOPHENYL-ETHYL)-PIPERIDINIUM ION | Authors: | Gruber, K, Wilson, I.A. | Deposit date: | 1998-03-18 | Release date: | 1999-03-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for antibody catalysis of a disfavored ring closure reaction. Biochemistry, 38, 1999
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2A4V
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![BU of 2a4v by Molmil](/molmil-images/mine/2a4v) | Crystal Structure of a truncated mutant of yeast nuclear thiol peroxidase | Descriptor: | Peroxiredoxin DOT5 | Authors: | Choi, J, Choi, S, Chon, J.-K, Choi, J, Cha, M.-K, Kim, I.-H, Shin, W. | Deposit date: | 2005-06-29 | Release date: | 2006-03-14 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of the C107S/C112S mutant of yeast nuclear 2-Cys peroxiredoxin Proteins, 61, 2005
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1ZWU
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![BU of 1zwu by Molmil](/molmil-images/mine/1zwu) | 30 NMR structures of AcAMP2-like peptide with non natural beta-(2-naphthyl)-alanine residue. | Descriptor: | AMARANTHUS CAUDATUS ANTIMICROBIAL PEPTIDE 2 (ACMP2) | Authors: | Chavez, M.I, Andreu, C, Vidal, P, Freire, F, Aboitiz, N, Groves, P, Asensio, J.L, Asensio, G, Muraki, M, Canada, F.J, Jimenez-Barbero, J. | Deposit date: | 2005-06-06 | Release date: | 2005-12-06 | Last modified: | 2021-10-20 | Method: | SOLUTION NMR | Cite: | On the Importance of Carbohydrate-Aromatic Interactions for the Molecular Recognition of Oligosaccharides by Proteins: NMR Studies of the Structure and Binding Affinity of AcAMP2-like Peptides with Non-Natural Naphthyl and Fluoroaromatic Residues. Chemistry, 11, 2005
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264D
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![BU of 264d by Molmil](/molmil-images/mine/264d) | THREE-DIMENSIONAL CRYSTAL STRUCTURE OF THE A-TRACT DNA DODECAMER D(CGCAAATTTGCG) COMPLEXED WITH THE MINOR-GROOVE-BINDING DRUG HOECHST 33258 | Descriptor: | 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)-3') | Authors: | Vega, M.C, Garcia-Saez, I, Aymami, J, Eritja, R, Van Der Marel, G.A, Van Boom, J.H, Rich, A, Coll, M. | Deposit date: | 1994-09-22 | Release date: | 1995-03-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Three-dimensional crystal structure of the A-tract DNA dodecamer d(CGCAAATTTGCG) complexed with the minor-groove-binding drug Hoechst 33258. Eur.J.Biochem., 222, 1994
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5AQN
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![BU of 5aqn by Molmil](/molmil-images/mine/5aqn) | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, BENZOFURO[3,2-D]PYRIMIDIN-4(3H)-ONE, ... | Authors: | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | Deposit date: | 2015-09-22 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms. Sci Rep, 6, 2016
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5AQU
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![BU of 5aqu by Molmil](/molmil-images/mine/5aqu) | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | Descriptor: | (1S,2R,3R,5R)-3-(HYDROXYMETHYL)-5-((5-METHOXYQUINAZOLIN-4-YL)AMINO)CYCLOPENTANE-1,2-DIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, ... | Authors: | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | Deposit date: | 2015-09-22 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms. Sci Rep, 6, 2016
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5AR0
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![BU of 5ar0 by Molmil](/molmil-images/mine/5ar0) | HSP72 with adenosine-derived inhibitor | Descriptor: | (2R,3R,4S,5R)-2-(6-amino-8-((quinolin-7-ylmethyl)amino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Cheeseman, M.D, Westwood, I.M, Barbeau, O, Rowlands, M.G, Jones, A.M, Jeganathan, F, Burke, R, Dobson, S.E, Workman, P, Collins, I, van Montfort, R.L.M, Jones, K. | Deposit date: | 2015-09-22 | Release date: | 2016-05-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Exploiting Protein Conformational Change to Optimize Adenosine-Derived Inhibitors of Hsp70. J.Med.Chem., 59, 2016
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5AQO
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![BU of 5aqo by Molmil](/molmil-images/mine/5aqo) | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-METHYLQUINAZOLIN-4-AMINE, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, ... | Authors: | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | Deposit date: | 2015-09-22 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms. Sci Rep, 6, 2016
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5AQG
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![BU of 5aqg by Molmil](/molmil-images/mine/5aqg) | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | Descriptor: | (2R,3R,4S,5R)-2-(3-AMINO-5-METHYL-1,4,5,6,8-PENTAAZAACENAPHTHYLEN-1(5H)-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, ... | Authors: | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | Deposit date: | 2015-09-22 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms. Sci Rep, 6, 2016
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2A36
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![BU of 2a36 by Molmil](/molmil-images/mine/2a36) | Solution structure of the N-terminal SH3 domain of DRK | Descriptor: | Protein E(sev)2B | Authors: | Forman-Kay, J.D, Bezsonova, I, Singer, A, Choy, W.-Y, Tollinger, M. | Deposit date: | 2005-06-23 | Release date: | 2005-12-13 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structural Comparison of the Unstable drkN SH3 Domain and a Stable Mutant Biochemistry, 44, 2005
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2A8H
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![BU of 2a8h by Molmil](/molmil-images/mine/2a8h) | Crystal structure of catalytic domain of TACE with Thiomorpholine Sulfonamide Hydroxamate inhibitor | Descriptor: | 4-({4-[(4-AMINOBUT-2-YNYL)OXY]PHENYL}SULFONYL)-N-HYDROXY-2,2-DIMETHYLTHIOMORPHOLINE-3-CARBOXAMIDE, ADAM 17, ZINC ION | Authors: | Levin, J.I, Chen, J.M, Laakso, L.M, Du, M, Schmid, J, Xu, W, Cummons, T, Xu, J, Jin, G, Barone, D, Skotnicki, J.S. | Deposit date: | 2005-07-08 | Release date: | 2006-02-07 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Acetylenic TACE inhibitors. Part 3: Thiomorpholine sulfonamide hydroxamates. Bioorg.Med.Chem.Lett., 16, 2006
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2A0P
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![BU of 2a0p by Molmil](/molmil-images/mine/2a0p) | |
2A37
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![BU of 2a37 by Molmil](/molmil-images/mine/2a37) | Solution structure of the T22G mutant of N-terminal SH3 domain of DRK (DRKN SH3 DOMAIN) | Descriptor: | Protein E(sev)2B | Authors: | Bezsonova, I, Singer, A, Choy, W.-Y, Tollinger, M, Forman-Kay, J.D. | Deposit date: | 2005-06-23 | Release date: | 2005-12-13 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structural Comparison of the Unstable drkN SH3 Domain and a Stable Mutant Biochemistry, 44, 2005
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5BJ4
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![BU of 5bj4 by Molmil](/molmil-images/mine/5bj4) | THERMUS THERMOPHILUS ASPARTATE AMINOTRANSFERASE TETRA MUTANT 2 | Descriptor: | PHOSPHATE ION, PROTEIN (ASPARTATE AMINOTRANSFERASE), PYRIDOXAL-5'-PHOSPHATE | Authors: | Ura, H, Nakai, T, Kawaguchi, S.I, Miyahara, I, Hirotsu, K, Kuramitsu, S. | Deposit date: | 1999-01-11 | Release date: | 2003-09-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Substrate recognition mechanism of thermophilic dual-substrate enzyme J.BIOCHEM.(TOKYO), 130, 2001
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5AQI
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![BU of 5aqi by Molmil](/molmil-images/mine/5aqi) | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | Descriptor: | ADENINE, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, DIMETHYL SULFOXIDE, ... | Authors: | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | Deposit date: | 2015-09-22 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms. Sci Rep, 6, 2016
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5AQK
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![BU of 5aqk by Molmil](/molmil-images/mine/5aqk) | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, DIMETHYL SULFOXIDE, ... | Authors: | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | Deposit date: | 2015-09-22 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms. Sci Rep, 6, 2016
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5AMN
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![BU of 5amn by Molmil](/molmil-images/mine/5amn) | The Discovery of 2-Substituted Phenol Quinazolines as Potent and Selective RET Kinase Inhibitors | Descriptor: | 4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE, FORMIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET | Authors: | Newton, R, Bowler, K, Burns, E.M, Chapman, P, Fairweather, E, Fritzl, S, Goldberg, K, Hamilton, N.M, Holt, S.V, Hopkins, G.V, Jones, S.D, Jordan, A.M, Lyons, A, McDonald, N.Q, Maguire, L.A, Mould, D.P, Purkiss, A.G, Small, H.F, Stowell, A, Thomson, G.J, Waddell, I.D, Waszkowycz, B, Watson, A.J, Ogilvie, D.J. | Deposit date: | 2015-03-11 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | The discovery of 2-substituted phenol quinazolines as potent RET kinase inhibitors with improved KDR selectivity. Eur J Med Chem, 112, 2016
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