6NAY
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6TB1
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![BU of 6tb1 by Molmil](/molmil-images/mine/6tb1) | Crystal structure of thermostable omega transaminase 6-fold mutant from Pseudomonas jessenii | 分子名称: | Aspartate aminotransferase family protein, GLYCEROL, PYRIDOXAL-5'-PHOSPHATE, ... | 著者 | Capra, N, Rozeboom, H.J, Thunnissen, A.M.W.H, Janssen, D.B. | 登録日 | 2019-10-31 | 公開日 | 2020-07-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Robust omega-Transaminases by Computational Stabilization of the Subunit Interface. Acs Catalysis, 10, 2020
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6TO2
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![BU of 6to2 by Molmil](/molmil-images/mine/6to2) | Crystal structure of CYP154C5 from Nocardia farcinica in complex with 5alpha-Androstan-3-one | 分子名称: | (5~{S},8~{S},9~{S},10~{S},13~{S},14~{S})-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one, CHLORIDE ION, Cytochrome P450 monooxygenase, ... | 著者 | Rodriguez, A, Kluenemann, T, Blankenfeldt, W, Schallmey, A. | 登録日 | 2019-12-11 | 公開日 | 2020-11-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | CYP154C5 Regioselectivity in Steroid Hydroxylation Explored by Substrate Modifications and Protein Engineering*. Chembiochem, 22, 2021
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1TA2
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![BU of 1ta2 by Molmil](/molmil-images/mine/1ta2) | Crystal structure of thrombin in complex with compound 1 | 分子名称: | 1-(2-AMINO-3,3-DIPHENYL-PROPIONYL)-PYRROLIDINE-3-CARBOXYLIC ACID 2,5-DICHLORO-BENZYLAMIDE, Hirudin, thrombin | 著者 | Tucker, T.J, Brady, S.F, Lumma, W.C, Lewis, S.D, Gardel, S.J, Naylor-Olsen, A.M, Yan, Y, Sisko, J.T, Stauffer, K.J, Lucas, B.Y, Lynch, J.J, Cook, J.J, Stranieri, M.T, Holahan, M.A, Lyle, E.A, Baskin, E.P, Chen, I.-W, Dancheck, K.B, Krueger, J.A, Cooper, C.M, Vacca, J.P. | 登録日 | 2004-05-19 | 公開日 | 2004-06-08 | 最終更新日 | 2017-10-11 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Design and synthesis of a series of potent and orally bioavailable
noncovalent thrombin inhibitors that utilize nonbasic groups in the P1 position J.Med.Chem., 41, 1998
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2W9L
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![BU of 2w9l by Molmil](/molmil-images/mine/2w9l) | CANINE ADENOVIRUS TYPE 2 FIBRE HEAD IN COMPLEX WITH CAR DOMAIN D1 AND SIALIC ACID | 分子名称: | COXSACKIEVIRUS AND ADENOVIRUS RECEPTOR, FIBRE PROTEIN, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, ... | 著者 | Seiradake, E, Henaff, D, Wodrich, H, Billet, O, Perreau, M, Hippert, C, Mennechet, F, Schoehn, G, Lortat-Jacob, H, Dreja, H, Ibanes, S, Kalatzis, V, Wang, J.P, Finberg, R.W, Cusack, S, Kremer, E.J. | 登録日 | 2009-01-26 | 公開日 | 2009-03-17 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.91 Å) | 主引用文献 | The cell adhesion molecule "CAR" and sialic acid on human erythrocytes influence adenovirus in vivo biodistribution. PLoS Pathog., 5, 2009
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8EV1
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![BU of 8ev1 by Molmil](/molmil-images/mine/8ev1) | Dual Modulators | 分子名称: | (3aR,4S,9bS)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide, (3aS,4R,9bR)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide, Estrogen Receptor, ... | 著者 | Tinivella, A, Nwachukwu, J.C, Angeli, A, Foschi, F, Benatti, A.L, Pinzi, L, Izard, T, Ferraroni, M, Rangarajan, E.S, Christodoulou, M, Passarella, D, Supuran, C, Nettles, K.W, Rastelli, G. | 登録日 | 2022-10-19 | 公開日 | 2022-12-28 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Design, synthesis, biological evaluation and crystal structure determination of dual modulators of carbonic anhydrases and estrogen receptors. Eur.J.Med.Chem., 246, 2022
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6RCR
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![BU of 6rcr by Molmil](/molmil-images/mine/6rcr) | TETR(D) H100A MUTANT IN COMPLEX WITH DOXYCYCLINE AND MAGNESIUM | 分子名称: | (4S,4AR,5S,5AR,6R,12AS)-4-(DIMETHYLAMINO)-3,5,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE, CHLORIDE ION, MAGNESIUM ION, ... | 著者 | Hinrichs, W, Palm, G.J, Berndt, L, Girbardt, B. | 登録日 | 2019-04-11 | 公開日 | 2019-08-21 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Thermodynamics, cooperativity and stability of the tetracycline repressor (TetR) upon tetracycline binding. Biochim Biophys Acta Proteins Proteom, 1868, 2020
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1SYV
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![BU of 1syv by Molmil](/molmil-images/mine/1syv) | HLA-B*4405 complexed to the dominant self ligand EEFGRAYGF | 分子名称: | Beta-2-microglobulin, MHC class I antigen, major histocompatibility complex, ... | 著者 | Zernich, D, Purcell, A.W, Macdonald, W.A, Kjer-Nielsen, L, Ely, L.K, Laham, N, Crockford, T, Mifsud, N.A, Tait, B.D, Holdsworth, R, Brooks, A.G, Bottomley, S.P, Beddoe, T, Peh, C.A, Rossjohn, J, McCluskey, J. | 登録日 | 2004-04-02 | 公開日 | 2004-10-19 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Natural HLA class I polymorphism controls the pathway of antigen presentation and susceptibility to viral evasion J.Exp.Med., 200, 2004
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6R39
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6NJJ
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![BU of 6njj by Molmil](/molmil-images/mine/6njj) | Crystal Structure of the PDE4D Catalytic Domain and UCR2 Regulatory Helix with BPN14770 | 分子名称: | (4-{[2-(3-chlorophenyl)-6-(trifluoromethyl)pyridin-4-yl]methyl}phenyl)acetic acid, 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | 著者 | Fox III, D, Fairman, J.W, Gurney, M.E. | 登録日 | 2019-01-03 | 公開日 | 2019-05-08 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Design and Synthesis of Selective Phosphodiesterase 4D (PDE4D) Allosteric Inhibitors for the Treatment of Fragile X Syndrome and Other Brain Disorders. J.Med.Chem., 62, 2019
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6AY6
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![BU of 6ay6 by Molmil](/molmil-images/mine/6ay6) | Naegleria fowleri CYP51-voriconazole complex | 分子名称: | CYP51, sterol 14alpha-demethylase, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Debnath, A, Calvet, C.M, Jennings, G, Zhou, W, Aksenov, A, Luth, M, Abagyan, R, Nes, W.D, McKerrow, J.H, Podust, L.M. | 登録日 | 2017-09-07 | 公開日 | 2017-11-22 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | CYP51 is an essential drug target for the treatment of primary amoebic meningoencephalitis (PAM). PLoS Negl Trop Dis, 11, 2017
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7PT0
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![BU of 7pt0 by Molmil](/molmil-images/mine/7pt0) | SCO3201 with putative ligand | 分子名称: | SPERMIDINE, TetR family transcriptional regulator | 著者 | Werten, S, Palm, G.J, Hinrichs, W. | 登録日 | 2021-09-25 | 公開日 | 2021-10-20 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Crystal structures of free and ligand-bound forms of the TetR/AcrR-like regulator SCO3201 from Streptomyces coelicolor suggest a novel allosteric mechanism. Febs J., 290, 2023
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6NYG
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![BU of 6nyg by Molmil](/molmil-images/mine/6nyg) | Helicobacter pylori Vacuolating Cytotoxin A Oligomeric Assembly 2a (OA-2a) | 分子名称: | Vacuolating cytotoxin autotransporter | 著者 | Zhang, K, Zhang, H, Li, S, Au, S, Chiu, W. | 登録日 | 2019-02-11 | 公開日 | 2019-03-27 | 最終更新日 | 2019-12-18 | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | 主引用文献 | Cryo-EM structures ofHelicobacter pylorivacuolating cytotoxin A oligomeric assemblies at near-atomic resolution. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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2VTW
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![BU of 2vtw by Molmil](/molmil-images/mine/2vtw) | Structure of the C-terminal head domain of the fowl adenovirus type 1 short fibre | 分子名称: | FIBER PROTEIN 2, GLYCEROL, SULFATE ION | 著者 | ElBakkouri, M, Seiradake, E, Cusack, S, Ruigrok, R.W.H, Schoehn, G. | 登録日 | 2008-05-16 | 公開日 | 2008-06-17 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure of the C-Terminal Head Domain of the Fowl Adenovirus Type 1 Short Fibre. Virology, 378, 2008
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1TFT
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![BU of 1tft by Molmil](/molmil-images/mine/1tft) | NMR Structure of an Antagonists of the XIAP-Caspase-9 Interaction Complexed to the BIR3 domain of XIAP | 分子名称: | 1-[3,3-DIMETHYL-2-(2-METHYLAMINO-PROPIONYLAMINO)-BUTYRYL]-4-PHENOXY-PYRROLIDINE-2-CARBOXYLIC ACID(1,2,3,4-TETRAHYDRO-NAPHTHALEN-1-YL)-AMIDE, Baculoviral IAP repeat-containing protein 4, ZINC ION | 著者 | Oost, T.K, Sun, C, Armstrong, R.C, Al-Assaad, A.S, Betz, S.F, Deckwerth, T.L, Elmore, S.W, Meadows, R.P, Olejniczak, E.T, Oleksijew, A.K, Oltersdorf, T, Rosenberg, S.H, Shoemaker, A.R, Zou, H, Fesik, S.W. | 登録日 | 2004-05-27 | 公開日 | 2005-05-03 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Discovery of potent antagonists of the antiapoptotic protein XIAP for the treatment of cancer. J.Med.Chem., 47, 2004
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1MZA
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![BU of 1mza by Molmil](/molmil-images/mine/1mza) | crystal structure of human pro-granzyme K | 分子名称: | pro-granzyme K | 著者 | Hink-Schauer, C, Estebanez-Perpina, E, Wilharm, E, Fuentes-Prior, P, Klinkert, W, Bode, W, Jenne, D.E. | 登録日 | 2002-10-07 | 公開日 | 2003-01-14 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | 主引用文献 | The 2.2-A Crystal Structure of Human Pro-granzyme K Reveals a Rigid Zymogen with Unusual Features J.BIOL.CHEM., 277, 2002
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1N1I
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![BU of 1n1i by Molmil](/molmil-images/mine/1n1i) | The structure of MSP-1(19) from Plasmodium knowlesi | 分子名称: | HISTIDINE, IMIDAZOLE, Merozoite surface protein-1 | 著者 | Garman, S.C, Simcoke, W.N, Stowers, A.W, Garboczi, D.N. | 登録日 | 2002-10-17 | 公開日 | 2003-02-25 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structure of the C-terminal domains of merozoite surface protein-1 from
Plasmodium knowlesi reveals a novel histidine binding site J.Biol.Chem., 278, 2003
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6R7Z
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![BU of 6r7z by Molmil](/molmil-images/mine/6r7z) | CryoEM structure of calcium-free human TMEM16K / Anoctamin 10 in detergent (closed form) | 分子名称: | Anoctamin-10 | 著者 | Pike, A.C.W, Bushell, S.R, Shintre, C.A, Tessitore, A, Chu, A, Mukhopadhyay, S, Shrestha, L, Chalk, R, Burgess-Brown, N.A, Love, J, Huiskonen, J.T, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | 登録日 | 2019-03-29 | 公開日 | 2019-05-01 | 最終更新日 | 2024-05-22 | 実験手法 | ELECTRON MICROSCOPY (5.14 Å) | 主引用文献 | The structural basis of lipid scrambling and inactivation in the endoplasmic reticulum scramblase TMEM16K. Nat Commun, 10, 2019
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1MZI
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![BU of 1mzi by Molmil](/molmil-images/mine/1mzi) | Solution ensemble structures of HIV-1 gp41 2F5 mAb epitope | 分子名称: | 2F5 epitope of HIV-1 gp41 fusion protein | 著者 | Barbato, G, Bianchi, E, Ingallinella, P, Hurni, W.H, Miller, M.D, Ciliberto, G, Cortese, R, Bazzo, R, Shiver, J.W, Pessi, A. | 登録日 | 2002-10-08 | 公開日 | 2003-09-02 | 最終更新日 | 2024-05-29 | 実験手法 | SOLUTION NMR | 主引用文献 | Structural analysis of the epitope of the anti-HIV antibody 2F5 sheds light into its mechanism of neutralization and HIV fusion. J.Mol.Biol., 330, 2003
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6AYB
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![BU of 6ayb by Molmil](/molmil-images/mine/6ayb) | Naegleria fowleri CYP51-ketoconazole complex | 分子名称: | 1,2-ETHANEDIOL, 1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine, CALCIUM ION, ... | 著者 | Debnath, A, Calvet, C.M, Jennings, G, Zhou, W, Aksenov, A, Luth, M, Abagyan, R, Nes, W.D, McKerrow, J.H, Podust, L.M. | 登録日 | 2017-09-08 | 公開日 | 2017-11-22 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | CYP51 is an essential drug target for the treatment of primary amoebic meningoencephalitis (PAM). PLoS Negl Trop Dis, 11, 2017
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1T67
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![BU of 1t67 by Molmil](/molmil-images/mine/1t67) | Crystal Structure of Human HDAC8 complexed with MS-344 | 分子名称: | 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, SODIUM ION, ... | 著者 | Somoza, J.R, Skene, R.J, Katz, B.A, Mol, C, Ho, J.D, Jennings, A.J, Luong, C, Arvai, A, Buggy, J.J, Chi, E, Tang, J, Sang, B.-C, Verner, E, Wynands, R, Leahy, E.M, Dougan, D.R, Snell, G, Navre, M, Knuth, M.W, Swanson, R.V, McRee, D.E, Tari, L.W. | 登録日 | 2004-05-05 | 公開日 | 2004-07-27 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | Structural Snapshots of Human HDAC8 Provide Insights into the Class I Histone Deacetylases Structure, 12, 2004
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6AZ4
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3ZSU
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![BU of 3zsu by Molmil](/molmil-images/mine/3zsu) | Structure of the CyanoQ protein from Thermosynechococcus elongatus | 分子名称: | SULFATE ION, TLL2057 PROTEIN | 著者 | Michoux, F, Takasaka, K, Nixon, P.J, Murray, J.W. | 登録日 | 2011-06-30 | 公開日 | 2012-06-13 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Crystal Structure of Cyanoq from the Thermophilic Cyanobacterium Thermosynechococcus Elongatus and Detection in Isolated Photosystem II Complexes. Photosynth.Res., 122, 2014
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5MFP
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![BU of 5mfp by Molmil](/molmil-images/mine/5mfp) | Human Sirt6 in complex with activator UBCS58 | 分子名称: | 1,2-ETHANEDIOL, 4-pyridin-3-ylpyrrolo[1,2-a]quinoxaline, NAD-dependent protein deacetylase sirtuin-6, ... | 著者 | Steegborn, C, You, W, Kambach, C. | 登録日 | 2016-11-18 | 公開日 | 2016-12-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Structural Basis of Sirtuin 6 Activation by Synthetic Small Molecules. Angew. Chem. Int. Ed. Engl., 56, 2017
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1Q6S
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![BU of 1q6s by Molmil](/molmil-images/mine/1q6s) | THE STRUCTURE OF PHOSPHOTYROSINE PHOSPHATASE 1B IN COMPLEX WITH COMPOUND 9 | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 6-[4-((2R)-2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}-2-PHENYLPROPYL)PHENYL]-2-METHYLQUINOLIN-8-YLPHOSPHONIC ACID, CHLORIDE ION, ... | 著者 | Scapin, G, Patel, S.B, Becker, J.W, Wang, Q, Desponts, C, Waddleton, D, Skorey, K, Cromlish, W, Bayly, C, Therien, M, Gauthier, J.Y, Li, C.S, Lau, C.K, Ramachandran, C, Kennedy, B.P, Asante-Appiah, E. | 登録日 | 2003-08-13 | 公開日 | 2003-09-30 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | The Structural Basis for the Selectivity of Benzotriazole Inhibitors of Ptp1B Biochemistry, 42, 2003
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