8QNG
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8QNH
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![BU of 8qnh by Molmil](/molmil-images/mine/8qnh) | Crystal structure of the E3 ubiquitin ligase Cbl-b with an allosteric inhibitor (WO2020264398 Ex23) | Descriptor: | 2-{3-[(1s,3R)-3-methyl-1-(4-methyl-4H-1,2,4-triazol-3-yl)cyclobutyl]phenyl}-6-{[(3S)-3-methylpiperidin-1-yl]methyl}-4-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | Authors: | Schimpl, M. | Deposit date: | 2023-09-26 | Release date: | 2023-11-22 | Last modified: | 2024-01-03 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Discovery of a Novel Benzodiazepine Series of Cbl-b Inhibitors for the Enhancement of Antitumor Immunity. Acs Med.Chem.Lett., 14, 2023
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1ETN
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1UAS
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![BU of 1uas by Molmil](/molmil-images/mine/1uas) | Crystal structure of rice alpha-galactosidase | Descriptor: | GLYCEROL, PLATINUM (II) ION, SULFATE ION, ... | Authors: | Fujimoto, Z, Kaneko, S, Momma, M, Kobayashi, H, Mizuno, H. | Deposit date: | 2003-03-18 | Release date: | 2003-07-01 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of rice alpha-galactosidase complexed with D-galactose J.Biol.Chem., 278, 2003
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7TKT
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![BU of 7tkt by Molmil](/molmil-images/mine/7tkt) | SthK closed state, cAMP-bound in the presence of detergent | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Putative transcriptional regulator, ... | Authors: | Rheinberger, J, Schmidpeter, P.A, Nimigean, C.M. | Deposit date: | 2022-01-17 | Release date: | 2022-10-26 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Anionic lipids unlock the gates of select ion channels in the pacemaker family. Nat.Struct.Mol.Biol., 29, 2022
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7TJ5
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![BU of 7tj5 by Molmil](/molmil-images/mine/7tj5) | SthK closed state, cAMP-bound in the presence of POPA | Descriptor: | (2R)-1-(hexadecanoyloxy)-3-(phosphonooxy)propan-2-yl (9Z)-octadec-9-enoate, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Putative transcriptional regulator, ... | Authors: | Schmidpeter, P.A, Nimigean, C.M. | Deposit date: | 2022-01-14 | Release date: | 2022-10-26 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.41 Å) | Cite: | Anionic lipids unlock the gates of select ion channels in the pacemaker family. Nat.Struct.Mol.Biol., 29, 2022
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7TJ6
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![BU of 7tj6 by Molmil](/molmil-images/mine/7tj6) | SthK open state, cAMP-bound in the presence of POPA | Descriptor: | (2R)-1-(hexadecanoyloxy)-3-(phosphonooxy)propan-2-yl (9Z)-octadec-9-enoate, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Putative transcriptional regulator, ... | Authors: | Schmidpeter, P.A, Nimigean, C.M. | Deposit date: | 2022-01-14 | Release date: | 2022-10-26 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Anionic lipids unlock the gates of select ion channels in the pacemaker family. Nat.Struct.Mol.Biol., 29, 2022
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8JU9
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5VAL
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![BU of 5val by Molmil](/molmil-images/mine/5val) | BRAF in Complex with N-(3-(tert-butyl)phenyl)-4-methyl-3-(6-morpholinopyrimidin-4-yl)benzamide | Descriptor: | N-(3-tert-butylphenyl)-4-methyl-3-[6-(morpholin-4-yl)pyrimidin-4-yl]benzamide, Serine/threonine-protein kinase B-raf | Authors: | Mamo, M, Appleton, B.A. | Deposit date: | 2017-03-27 | Release date: | 2017-06-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Design and Discovery of N-(2-Methyl-5'-morpholino-6'-((tetrahydro-2H-pyran-4-yl)oxy)-[3,3'-bipyridin]-5-yl)-3-(trifluoromethyl)benzamide (RAF709): A Potent, Selective, and Efficacious RAF Inhibitor Targeting RAS Mutant Cancers. J. Med. Chem., 60, 2017
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6JTB
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![BU of 6jtb by Molmil](/molmil-images/mine/6jtb) | Crystal structure of dipeptidyl peptidase 11 (DPP11) with citrate from Porphyromonas gingivalis (Space) | Descriptor: | Asp/Glu-specific dipeptidyl-peptidase, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Sakamoto, Y, Suzuki, Y, Iizuka, I, Roppongi, S, Kushibiki, C, Nakamura, A, Ogasawara, W, Tanaka, N. | Deposit date: | 2019-04-10 | Release date: | 2019-10-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Fragment-based discovery of the first nonpeptidyl inhibitor of an S46 family peptidase. Sci Rep, 9, 2019
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5VAM
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![BU of 5vam by Molmil](/molmil-images/mine/5vam) | BRAF in Complex with RAF709 | Descriptor: | N-{2-methyl-5'-(morpholin-4-yl)-6'-[(oxan-4-yl)oxy][3,3'-bipyridin]-5-yl}-3-(trifluoromethyl)benzamide, Serine/threonine-protein kinase B-raf | Authors: | Mamo, M, Appleton, B.A. | Deposit date: | 2017-03-27 | Release date: | 2017-06-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Design and Discovery of N-(2-Methyl-5'-morpholino-6'-((tetrahydro-2H-pyran-4-yl)oxy)-[3,3'-bipyridin]-5-yl)-3-(trifluoromethyl)benzamide (RAF709): A Potent, Selective, and Efficacious RAF Inhibitor Targeting RAS Mutant Cancers. J. Med. Chem., 60, 2017
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6JTC
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![BU of 6jtc by Molmil](/molmil-images/mine/6jtc) | Crystal structure of dipeptidyl peptidase 11 (DPP11) with SH-5 from Porphyromonas gingivalis (Space) | Descriptor: | 2-(2-azanylethylamino)-5-nitro-benzoic acid, Asp/Glu-specific dipeptidyl-peptidase, GLYCEROL | Authors: | Sakamoto, Y, Suzuki, Y, Iizuka, I, Roppongi, S, Kushibiki, C, Nakamura, A, Ogasawara, W, Tanaka, N. | Deposit date: | 2019-04-10 | Release date: | 2019-10-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Fragment-based discovery of the first nonpeptidyl inhibitor of an S46 family peptidase. Sci Rep, 9, 2019
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6KRU
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![BU of 6kru by Molmil](/molmil-images/mine/6kru) | Crystal structure of mouse IgG2b Fc | Descriptor: | Ig gamma-2B chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Taniguchi, Y, Satoh, T, Yagi, H, Kato, K. | Deposit date: | 2019-08-22 | Release date: | 2020-01-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | On-Membrane Dynamic Interplay between Anti-GM1 IgG Antibodies and Complement Component C1q. Int J Mol Sci, 21, 2019
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5B1L
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![BU of 5b1l by Molmil](/molmil-images/mine/5b1l) | The mouse nucleosome structure containing H3t | Descriptor: | CHLORIDE ION, DNA (146-MER), Histone H2A type 1, ... | Authors: | Urahama, T, Machida, S, Horikoshi, N, Osakabe, A, Tachiwana, H, Taguchi, H, Kurumizaka, H. | Deposit date: | 2015-12-08 | Release date: | 2017-02-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Testis-Specific Histone Variant H3t Gene Is Essential for Entry into Spermatogenesis Cell Rep, 18, 2017
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1TKZ
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![BU of 1tkz by Molmil](/molmil-images/mine/1tkz) | CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH GW429576 | Descriptor: | 6-CHLORO-4-(CYCLOHEXYLSULFANYL)-3-PROPYLQUINOLIN-2(1H)-ONE, PHOSPHATE ION, Pol polyprotein, ... | Authors: | Hopkins, A.L, Ren, J, Stuart, D.I, Stammers, D.K. | Deposit date: | 2004-06-09 | Release date: | 2004-12-07 | Last modified: | 2020-01-15 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Design of non-nucleoside inhibitors of HIV-1 reverse transcriptase with improved drug resistance properties. 1. J.Med.Chem., 47, 2004
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6KRV
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![BU of 6krv by Molmil](/molmil-images/mine/6krv) | Crystal structure of mouse IgG2b Fc complexed with B domain of Protein A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-2B chain C region, ... | Authors: | Taniguchi, Y, Satoh, T, Yagi, H, Kato, K. | Deposit date: | 2019-08-22 | Release date: | 2020-01-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | On-Membrane Dynamic Interplay between Anti-GM1 IgG Antibodies and Complement Component C1q. Int J Mol Sci, 21, 2019
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3NEW
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![BU of 3new by Molmil](/molmil-images/mine/3new) | p38-alpha complexed with Compound 10 | Descriptor: | 4-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, Mitogen-activated protein kinase 14 | Authors: | Goedken, E.R, Comess, K.M, Sun, C, Argiriadi, M, Jia, Y, Quinn, C.M, Banach, D.L, Marcotte, D, Borhani, D. | Deposit date: | 2010-06-09 | Release date: | 2010-12-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Discovery and Characterization of Non-ATP Site Inhibitors of the Mitogen Activated Protein (MAP) Kinases. Acs Chem.Biol., 6, 2011
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1TKX
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![BU of 1tkx by Molmil](/molmil-images/mine/1tkx) | CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH GW490745 | Descriptor: | 4-[(CYCLOPROPYLETHYNYL)OXY]-6-FLUORO-3-ISOPROPYLQUINOLIN-2(1H)-ONE, Pol polyprotein, Reverse transcriptase, ... | Authors: | Ren, J, Hopkins, A.L, Stuart, D.I, Stammers, D.K. | Deposit date: | 2004-06-09 | Release date: | 2004-12-07 | Last modified: | 2022-12-21 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Design of non-nucleoside inhibitors of HIV-1 reverse transcriptase with improved drug resistance properties. 2. J.Med.Chem., 47, 2004
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8TU3
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![BU of 8tu3 by Molmil](/molmil-images/mine/8tu3) | Bruton's tyrosine kinase in complex with covalent inhibitor compound 10 | Descriptor: | 1-[(4R)-4-{[(6P,8S)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy}azepan-1-yl]propan-1-one, Tyrosine-protein kinase BTK | Authors: | Metrick, C.M. | Deposit date: | 2023-08-15 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery and Preclinical Characterization of BIIB129, a Covalent, Selective, and Brain-Penetrant BTK Inhibitor for the Treatment of Multiple Sclerosis. J.Med.Chem., 67, 2024
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8TU4
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![BU of 8tu4 by Molmil](/molmil-images/mine/8tu4) | Bruton's tyrosine kinase in complex with covalent inhibitor compound 25 | Descriptor: | N-methyl-N-[(1S,3r)-3-methyl-3-{[(6M,8S)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy}cyclobutyl]propanamide, Tyrosine-protein kinase BTK | Authors: | Metrick, C.M. | Deposit date: | 2023-08-15 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery and Preclinical Characterization of BIIB129, a Covalent, Selective, and Brain-Penetrant BTK Inhibitor for the Treatment of Multiple Sclerosis. J.Med.Chem., 67, 2024
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8TU5
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![BU of 8tu5 by Molmil](/molmil-images/mine/8tu5) | Bruton's tyrosine kinase in complex with covalent inhibitor compound 27 | Descriptor: | 1-[(1S,5S,6S)-6-methyl-6-{[(6M,8R)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy}-2-azabicyclo[3.2.0]heptan-2-yl]propan-1-one, Tyrosine-protein kinase BTK | Authors: | Metrick, C.M. | Deposit date: | 2023-08-15 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery and Preclinical Characterization of BIIB129, a Covalent, Selective, and Brain-Penetrant BTK Inhibitor for the Treatment of Multiple Sclerosis. J.Med.Chem., 67, 2024
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3O17
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![BU of 3o17 by Molmil](/molmil-images/mine/3o17) | Crystal Structure of JNK1-alpha1 isoform | Descriptor: | C-Jun-amino-terminal kinase-interacting protein 1, JIP1, 10MER PEPTIDE, ... | Authors: | Abad-Zapatero, C. | Deposit date: | 2010-07-20 | Release date: | 2011-01-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal Structure of JNK1-alpha1 isoform TO BE PUBLISHED
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1JLA
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![BU of 1jla by Molmil](/molmil-images/mine/1jla) | CRYSTAL STRUCTURE OF Y181C MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH TNK-651 | Descriptor: | 6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACIL, HIV-1 RT A-chain, HIV-1 RT B-chain | Authors: | Ren, J, Nichols, C, Bird, L, Chamberlain, P, Weaver, K, Short, S, Stuart, D.I, Stammers, D.K. | Deposit date: | 2001-07-16 | Release date: | 2001-10-03 | Last modified: | 2022-12-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural mechanisms of drug resistance for mutations at codons 181 and 188 in HIV-1 reverse transcriptase and the improved resilience of second generation non-nucleoside inhibitors. J.Mol.Biol., 312, 2001
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1JKH
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![BU of 1jkh by Molmil](/molmil-images/mine/1jkh) | CRYSTAL STRUCTURE OF Y181C MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH DMP-266(EFAVIRENZ) | Descriptor: | (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE, HIV-1 RT, A-CHAIN, ... | Authors: | Ren, J, Nichols, C, Bird, L, Chamberlain, P, Weaver, K, Short, S, Stuart, D.I, Stammers, D.K. | Deposit date: | 2001-07-12 | Release date: | 2001-10-03 | Last modified: | 2022-12-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural mechanisms of drug resistance for mutations at codons 181 and 188 in HIV-1 reverse transcriptase and the improved resilience of second generation non-nucleoside inhibitors. J.Mol.Biol., 312, 2001
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1JLG
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![BU of 1jlg by Molmil](/molmil-images/mine/1jlg) | CRYSTAL STRUCTURE OF Y188C MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH UC-781 | Descriptor: | 2-METHYL-FURAN-3-CARBOTHIOIC ACID [4-CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)-PHENYL]-AMIDE, HIV-1 RT A-chain, HIV-1 RT B-chain | Authors: | Ren, J, Nichols, C, Bird, L, Chamberlain, P, Weaver, K, Short, S, Stuart, D.I, Stammers, D.K. | Deposit date: | 2001-07-16 | Release date: | 2001-10-03 | Last modified: | 2022-12-21 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural mechanisms of drug resistance for mutations at codons 181 and 188 in HIV-1 reverse transcriptase and the improved resilience of second generation non-nucleoside inhibitors. J.Mol.Biol., 312, 2001
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