4QO1
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![BU of 4qo1 by Molmil](/molmil-images/mine/4qo1) | p53 DNA binding domain in complex with Nb139 | Descriptor: | Cellular tumor antigen p53, Nb139 Nanobody against the DNA-binding domain of p53, ZINC ION | Authors: | De Gieter, S, Bethuyne, J, Gettemans, J, Garcia-Pino, A, Loris, R. | Deposit date: | 2014-06-19 | Release date: | 2014-10-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.924 Å) | Cite: | A nanobody modulates the p53 transcriptional program without perturbing its functional architecture. Nucleic Acids Res., 42, 2014
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4IUC
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![BU of 4iuc by Molmil](/molmil-images/mine/4iuc) | Crystal structure of an O2-tolerant [NiFe]-hydrogenase from Ralstonia eutropha in its as-isolated form - oxidized state 2 | Descriptor: | CHLORIDE ION, FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, ... | Authors: | Frielingsdorf, S, Schmidt, A, Fritsch, J, Lenz, O, Scheerer, P. | Deposit date: | 2013-01-20 | Release date: | 2014-04-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Reversible [4Fe-3S] cluster morphing in an O2-tolerant [NiFe] hydrogenase. Nat.Chem.Biol., 10, 2014
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4RXT
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![BU of 4rxt by Molmil](/molmil-images/mine/4rxt) | Crystal structure of carbohydrate transporter solute binding protein Arad_9553 from Agrobacterium Radiobacter, Target EFI-511541, in complex with D-arabinose | Descriptor: | Sugar ABC transporter, alpha-L-arabinopyranose | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Morisco, L.L, Wasserman, S.R, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Hillerich, B, Siedel, R.D, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-12-11 | Release date: | 2014-12-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Crystal Structure of Sugar Binding Transporter Arad_9553 from Agrobacterium Radiobacter, Target Efi-511541 To be Published
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2RAD
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![BU of 2rad by Molmil](/molmil-images/mine/2rad) | Crystal structure of the succinoglycan biosynthesis protein. Northeast structural Genomics Consortium target BcR135 | Descriptor: | Succinoglycan biosynthesis protein | Authors: | Kuzin, A.P, Abashidze, M, Seetharaman, J, Wang, H, Mao, L, Cunningham, K, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2007-09-14 | Release date: | 2007-10-02 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Crystal structure of the succinoglycan biosynthesis protein. To be Published
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3ZI8
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![BU of 3zi8 by Molmil](/molmil-images/mine/3zi8) | Structure of the R17A mutant of the Ralstonia soleanacerum lectin at 1.5 Angstrom in complex with L-fucose | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, MAGNESIUM ION, PUTATIVE FUCOSE-BINDING LECTIN PROTEIN, ... | Authors: | Arnaud, J, Audfray, A, Claudinon, J, Trondle, K, Trosvalet, M, Thomas, A, Varrot, A, Romer, W, Imberty, A. | Deposit date: | 2013-01-07 | Release date: | 2013-07-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Reduction of Lectin Valency Drastically Changes Glycolipid Dynamics in Membranes, But not Surface Avidity. Acs Chem.Biol., 8, 2013
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4RYL
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![BU of 4ryl by Molmil](/molmil-images/mine/4ryl) | Human Protein Arginine Methyltransferase 3 in complex with 1-isoquinolin-6-yl-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]urea | Descriptor: | 1-isoquinolin-6-yl-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]urea, PRMT3 protein, UNKNOWN ATOM OR ION | Authors: | Dong, A, Dobrovetsky, E, Kaniskan, H.U, Szewczyk, M, Yu, Z, Eram, M.S, Yang, X, Schmidt, K, Luo, X, Dai, M, He, F, Zang, I, Lin, Y, Kennedy, S, Li, F, Tempel, W, Smil, D, Min, S.J, Landon, M, Lin-Jones, J, Huang, X.P, Roth, B.L, Schapira, M, Atadja, P, Barsyte-Lovejoy, D, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Zhao, K, Jin, J, Vedadi, M, Structural Genomics Consortium (SGC) | Deposit date: | 2014-12-15 | Release date: | 2015-02-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A Potent, Selective and Cell-Active Allosteric Inhibitor of Protein Arginine Methyltransferase 3 (PRMT3). Angew.Chem.Int.Ed.Engl., 54, 2015
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5DH7
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![BU of 5dh7 by Molmil](/molmil-images/mine/5dh7) | Two divalent metal ions and conformational changes play roles in the hammerhead ribozyme cleavage reaction-G12A mutant in Mn2+ | Descriptor: | 5'-R(*GP*GP*GP*CP*GP*UP*DC*UP*GP*GP*GP*CP*AP*GP*UP*AP*CP*CP*CP*A)-3', MANGANESE (II) ION, RNA (48-MER) | Authors: | Mir, A, Chen, J, Neau, D, Golden, B.L. | Deposit date: | 2015-08-29 | Release date: | 2015-10-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.064 Å) | Cite: | Two Divalent Metal Ions and Conformational Changes Play Roles in the Hammerhead Ribozyme Cleavage Reaction. Biochemistry, 54, 2015
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2XQL
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![BU of 2xql by Molmil](/molmil-images/mine/2xql) | Fitting of the H2A-H2B histones in the electron microscopy map of the complex Nucleoplasmin:H2A-H2B histones (1:5). | Descriptor: | HISTONE H2A-IV, HISTONE H2B 5 | Authors: | Ramos, I, Martin-Benito, J, Finn, R, Bretana, L, Aloria, K, Arizmendi, J.M, Ausio, J, Muga, A, Valpuesta, J.M, Prado, A. | Deposit date: | 2010-09-02 | Release date: | 2010-11-03 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (19.5 Å) | Cite: | Nucleoplasmin Binds Histone H2A-H2B Dimers Through its Distal Face. J.Biol.Chem., 285, 2010
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2XSP
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![BU of 2xsp by Molmil](/molmil-images/mine/2xsp) | Structure of Cellobiohydrolase 1 (Cel7A) from Heterobasidion annosum | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CELLULOSE 1,4-BETA-CELLOBIOSIDASE, ... | Authors: | Haddad-momeni, M, Hansson, H, Mikkelsen, N.E, Wang, X, Svedberg, J, Sandgren, M, Stahlberg, J. | Deposit date: | 2010-09-29 | Release date: | 2011-10-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural, Biochemical, and Computational Characterization of the Glycoside Hydrolase Family 7 Cellobiohydrolase of the Tree-Killing Fungus Heterobasidion Irregulare. J.Biol.Chem., 288, 2013
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5DFN
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![BU of 5dfn by Molmil](/molmil-images/mine/5dfn) | Structure of Tetrahymena Telomerase P45 C-terminal domain | Descriptor: | Telomerase associated protein p45 | Authors: | Chan, H, Cascio, D, Sawaya, M.R, Feigon, J. | Deposit date: | 2015-08-27 | Release date: | 2015-10-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.382 Å) | Cite: | Structure of Tetrahymena telomerase reveals previously unknown subunits, functions, and interactions. Science, 350, 2015
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4JLK
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![BU of 4jlk by Molmil](/molmil-images/mine/4jlk) | Human dCK C4S-S74E mutant in complex with UDP and the F2.2.1 inhibitoR (2-[({2-[3-(2-FLUOROETHOXY)-4-METHOXYPHENYL]-5-METHYL-1,3-THIAZOL-4-YL}METHYL)SULFANYL]PYRIMIDINE-4,6-DIAMINE) | Descriptor: | 2-[({2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl}methyl)sulfanyl]pyrimidine-4,6-diamine, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE | Authors: | Nomme, J, Lavie, A. | Deposit date: | 2013-03-12 | Release date: | 2013-09-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Development of new deoxycytidine kinase inhibitors and noninvasive in vivo evaluation using positron emission tomography. J.Med.Chem., 56, 2013
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4TRH
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![BU of 4trh by Molmil](/molmil-images/mine/4trh) | The Legionella effector SidC defines a unique family of ubiquitin ligases important for bacterial phagosomal remodeling | Descriptor: | SidC | Authors: | Hsu, F.S, Luo, X, Qiu, J, Teng, Y, Jin, J, Smolka, M.B, Luo, Z.Q, Mao, Y. | Deposit date: | 2014-06-16 | Release date: | 2014-07-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | The Legionella effector SidC defines a unique family of ubiquitin ligases important for bacterial phagosomal remodeling. Proc.Natl.Acad.Sci.USA, 111, 2014
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3ZJ7
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![BU of 3zj7 by Molmil](/molmil-images/mine/3zj7) | Crystal structure of strictosidine glucosidase in complex with inhibitor-1 | Descriptor: | (1R,2S,3S,4R,5R)-4-(cyclohexylamino)-5-(hydroxymethyl)cyclopentane-1,2,3-triol, STRICTOSIDINE-O-BETA-D-GLUCOSIDASE | Authors: | Xia, L, Lin, H, Panjikar, S, Ruppert, M, Castiglia, A, Rajendran, C, Wang, M, Schuebel, H, Warzecha, H, Jaeger, V, Stoeckigt, J. | Deposit date: | 2013-01-17 | Release date: | 2014-02-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Ligand Structures of Synthetic Deoxa-Pyranosylamines with Raucaffricine and Strictosidine Glucosidases Provide Structural Insights Into Their Binding and Inhibitory Behaviours. J.Enzyme.Inhib.Med.Chem., 30, 2015
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4RK2
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![BU of 4rk2 by Molmil](/molmil-images/mine/4rk2) | Crystal structure of sugar transporter RHE_PF00321 from Rhizobium etli, target EFI-510806, an open conformation | Descriptor: | ACETATE ION, CHLORIDE ION, Putative sugar ABC transporter, ... | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Siedel, R.D, Hillerich, B, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-10-11 | Release date: | 2014-11-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of Sugar Transporter RHE_Pf00321 from Rhizobium Etli, Target EFI-510806 To be Published
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4EQZ
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![BU of 4eqz by Molmil](/molmil-images/mine/4eqz) | Crystal structure of human DOT1L in complex with inhibitor FED2 | Descriptor: | 5'-deoxy-5'-[(3-{[(4-methylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]adenosine, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... | Authors: | Wernimont, A.K, Tempel, W, Yu, W, Li, Y, Nguyen, K.T, Federation, A, Marineau, J, Qi, J, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2012-04-19 | Release date: | 2012-05-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors. Nat Commun, 3, 2012
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2XIO
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![BU of 2xio by Molmil](/molmil-images/mine/2xio) | Structure of putative deoxyribonuclease TATDN1 isoform a | Descriptor: | 1,2-ETHANEDIOL, NICKEL (II) ION, PUTATIVE DEOXYRIBONUCLEASE TATDN1, ... | Authors: | Muniz, J.R.C, Cocking, R, Puranik, S, Krojer, T, Raynor, J, Vollmar, M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Yue, W.W, Kavanagh, K.L, Oppermann, U. | Deposit date: | 2010-06-30 | Release date: | 2010-07-14 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Structure of Putative Deoxyribonuclease Tatdn1 Isoform A To be Published
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4RKR
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![BU of 4rkr by Molmil](/molmil-images/mine/4rkr) | Crystal structure of LacI family transcriptional regulator from Arthrobacter sp. FB24, target EFI-560007, complex with lactose | Descriptor: | Transcriptional regulator, LacI family, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Siedel, R.D, Hillerich, B, Love, J, Whalen, K.L, Gerlt, J.A, Burley, S.K, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-10-13 | Release date: | 2014-11-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structure of LacI Transcriptional Regulator PurR from Arthrobacter Sp, Target Nysgxrc 11027R To be Published
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3C0V
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![BU of 3c0v by Molmil](/molmil-images/mine/3c0v) | Crystal structure of cytokinin-specific binding protein in complex with cytokinin and Ta6Br12 | Descriptor: | (2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Cytokinin-specific binding protein, ... | Authors: | Pasternak, O, Bujacz, A, Biesiadka, J, Bujacz, G, Sikorski, M, Jaskolski, M. | Deposit date: | 2008-01-21 | Release date: | 2008-05-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | MAD phasing using the (Ta(6)Br(12))(2+) cluster: a retrospective study Acta Crystallogr.,Sect.D, 64, 2008
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4ABX
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![BU of 4abx by Molmil](/molmil-images/mine/4abx) | Crystal structure of Deinococcus radiodurans RecN coiled-coil domain | Descriptor: | DNA REPAIR PROTEIN RECN | Authors: | Pellegrino, S, Radzimanowski, J, de Sanctis, D, McSweeney, S, Timmins, J. | Deposit date: | 2011-12-12 | Release date: | 2012-12-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.041 Å) | Cite: | Structural and Functional Characterization of an Smc-Like Protein Recn: New Insights Into Double-Strand Break Repair. Structure, 20, 2012
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4AGH
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![BU of 4agh by Molmil](/molmil-images/mine/4agh) | Structural features of ssDNA binding protein MoSub1 from Magnaporthe oryzae | Descriptor: | MOSUB1, TRANSCRIPTION COFACTOR | Authors: | Huang, J, Zhao, Y, Huang, D, liu, J, Peng, Y. | Deposit date: | 2012-01-27 | Release date: | 2012-08-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.787 Å) | Cite: | Structural Features of the Single-Stranded DNA-Binding Protein Mosub1 from Magnaporthe Oryzae. Acta Crystallogr.,Sect.D, 68, 2012
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4RMJ
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![BU of 4rmj by Molmil](/molmil-images/mine/4rmj) | Human Sirt2 in complex with ADP ribose and nicotinamide | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-2, ... | Authors: | Rumpf, T, Schiedel, M, Karaman, B, Roessler, C, North, B.J, Lehotzky, A, Olah, J, Ladwein, K.I, Schmidtkunz, K, Gajer, M, Pannek, M, Steegborn, C, Sinclair, D.A, Gerhardt, S, Ovadi, J, Schutkowski, M, Sippl, W, Einsle, O, Jung, M. | Deposit date: | 2014-10-21 | Release date: | 2015-02-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Selective Sirt2 inhibition by ligand-induced rearrangement of the active site. Nat Commun, 6, 2015
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5CVC
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![BU of 5cvc by Molmil](/molmil-images/mine/5cvc) | Structure of maize serine racemase | Descriptor: | MAGNESIUM ION, PYRIDOXAL-5'-PHOSPHATE, Serine racemase | Authors: | Song, Y, Zou, L, Fan, J. | Deposit date: | 2015-07-26 | Release date: | 2016-03-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Crystal structure of maize serine racemase with pyridoxal 5'-phosphate. Acta Crystallogr.,Sect.F, 72, 2016
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4RMH
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![BU of 4rmh by Molmil](/molmil-images/mine/4rmh) | Human Sirt2 in complex with SirReal2 and Ac-Lys-H3 peptide | Descriptor: | 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide, Ac-Lys-H3 peptide, NAD-dependent protein deacetylase sirtuin-2, ... | Authors: | Rumpf, T, Schiedel, M, Karaman, B, Roessler, C, North, B.J, Lehotzky, A, Olah, J, Ladwein, K.I, Schmidtkunz, K, Gajer, M, Pannek, M, Steegborn, C, Sinclair, D.A, Gerhardt, S, Ovadi, J, Schutkowski, M, Sippl, W, Einsle, O, Jung, M. | Deposit date: | 2014-10-21 | Release date: | 2015-02-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Selective Sirt2 inhibition by ligand-induced rearrangement of the active site. Nat Commun, 6, 2015
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4AFS
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![BU of 4afs by Molmil](/molmil-images/mine/4afs) | Human Chymase - Fynomer Complex | Descriptor: | CHYMASE, FYNOMER, GLYCEROL, ... | Authors: | Schlatter, D, Brack, S, Banner, D.W, Batey, S, Benz, J, Bertschinger, J, Huber, W, Joseph, C, Rufer, A, Van Der Kloosters, A, Weber, M, Grabulovski, D, Hennig, M. | Deposit date: | 2012-01-23 | Release date: | 2012-07-11 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Generation, Characterization and Structural Data of Chymase Binding Proteins Based on the Human Fyn Kinase SH3 Domain. Mabs, 4, 2012
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4AG1
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![BU of 4ag1 by Molmil](/molmil-images/mine/4ag1) | Human Chymase - Fynomer Complex | Descriptor: | CHYMASE, FYNOMER, SULFATE ION | Authors: | Schlatter, D, Brack, S, Banner, D.W, Batey, S, Benz, J, Bertschinger, J, Huber, W, Joseph, C, Rufer, A, Van Der Kloosters, A, Weber, M, Grabulovski, D, Hennig, M. | Deposit date: | 2012-01-23 | Release date: | 2012-07-11 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Generation, Characterization and Structural Data of Chymase Binding Proteins Based on the Human Fyn Kinase SH3 Domain. Mabs, 4, 2012
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