4O7N
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4O7Y
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4Q02
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![BU of 4q02 by Molmil](/molmil-images/mine/4q02) | Second-site screening of K-Ras in the presence of covalently attached first-site ligands | Descriptor: | 3,4-difluorobenzenethiol, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Sun, Q, Phan, J, Friberg, A, Camper, D.V, Olejniczak, E.T, Fesik, S.W. | Deposit date: | 2014-03-31 | Release date: | 2014-09-10 | Method: | X-RAY DIFFRACTION (1.702 Å) | Cite: | A method for the second-site screening of K-Ras in the presence of a covalently attached first-site ligand. J.Biomol.Nmr, 60, 2014
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4Q03
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![BU of 4q03 by Molmil](/molmil-images/mine/4q03) | Second-site screening of K-Ras in the presence of covalently attached first-site ligands | Descriptor: | 4-bromobenzenethiol, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Sun, Q, Phan, J, Friberg, A, Camper, D.V, Olejniczak, E.T, Fesik, S.W. | Deposit date: | 2014-03-31 | Release date: | 2014-09-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.201 Å) | Cite: | A method for the second-site screening of K-Ras in the presence of a covalently attached first-site ligand. J.Biomol.Nmr, 60, 2014
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4B5H
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![BU of 4b5h by Molmil](/molmil-images/mine/4b5h) | Substate bound inactive mutant of Neisseria AP endonuclease in presence of metal ions | Descriptor: | 5'-D(*CP*GP*AP*TP*GP*GP*GP*TP*AP*GP*CP)-3', 5'-D(*GP*CP*TP*AP*CP*3DRP*CP*AP*TP*CP*GP)-3', MANGANESE (II) ION, ... | Authors: | Lu, D, Silhan, J, MacDonald, J.T, Carpenter, E.P, Jensen, K, Tang, C.M, Baldwin, G.S, Freemont, P.S. | Deposit date: | 2012-08-03 | Release date: | 2012-10-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Structural basis for the recognition and cleavage of abasic DNA in Neisseria meningitidis. Proc. Natl. Acad. Sci. U.S.A., 109, 2012
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4B5M
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![BU of 4b5m by Molmil](/molmil-images/mine/4b5m) | Neisseria AP endonuclease bound to the substrate with a cytosine orphan base | Descriptor: | 5'-D(*3DRP*CP*AP*TP*CP*GP)-3', 5'-D(*CP*GP*AP*TP*GP*CP*GP*TP*AP*GP*CP)-3', 5'-D(*GP*CP*TP*AP*CP)-3', ... | Authors: | Lu, D, Silhan, J, MacDonald, J.T, Carpenter, E.P, Jensen, K, Tang, C.M, Baldwin, G.S, Freemont, P.S. | Deposit date: | 2012-08-06 | Release date: | 2012-10-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.758 Å) | Cite: | Structural basis for the recognition and cleavage of abasic DNA in Neisseria meningitidis. Proc. Natl. Acad. Sci. U.S.A., 109, 2012
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4PZY
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![BU of 4pzy by Molmil](/molmil-images/mine/4pzy) | Second-site screening of K-Ras in the presence of covalently attached first-site ligands | Descriptor: | 2-chloro-1-(1H-indol-3-yl)ethanone, GUANOSINE-5'-DIPHOSPHATE, K-Ras, ... | Authors: | Sun, Q, Phan, J, Friberg, A, Camper, D.V, Olejniczak, E.T, Fesik, S.W. | Deposit date: | 2014-03-31 | Release date: | 2014-09-10 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | A method for the second-site screening of K-Ras in the presence of a covalently attached first-site ligand. J.Biomol.Nmr, 60, 2014
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2MP2
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![BU of 2mp2 by Molmil](/molmil-images/mine/2mp2) | Solution structure of SUMO dimer in complex with SIM2-3 from RNF4 | Descriptor: | E3 ubiquitin-protein ligase RNF4, Small ubiquitin-related modifier 3 | Authors: | Xu, Y, Plechanovov, A, Simpson, P, Marchant, J, Leidecker, O, Sebastian, K, Hay, R.T, Matthews, S.J. | Deposit date: | 2014-05-09 | Release date: | 2014-07-02 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structural insight into SUMO chain recognition and manipulation by the ubiquitin ligase RNF4. Nat Commun, 5, 2014
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7UJJ
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![BU of 7ujj by Molmil](/molmil-images/mine/7ujj) | Stx2a and DARPin complex | Descriptor: | 1,2-ETHANEDIOL, 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, DARPin, ... | Authors: | Jiang, M, Zhang, J. | Deposit date: | 2022-03-30 | Release date: | 2023-04-12 | Method: | ELECTRON MICROSCOPY (6.5 Å) | Cite: | A Multi-Specific DARPin Potently Neutralizes Shiga Toxin 2 via Simultaneous Modulation of Both Toxin Subunits. Bioengineering (Basel), 9, 2022
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6JF1
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![BU of 6jf1 by Molmil](/molmil-images/mine/6jf1) | Crystal structure of the substrate binding protein of a methionine transporter from Streptococcus pneumoniae | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Jha, B, Vyas, R, Bhushan, J, Sehgal, D, Biswal, B.K. | Deposit date: | 2019-02-07 | Release date: | 2019-07-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural insights into the substrate specificity of SP_0149, the substrate-binding protein of a methionine ABC transporter from Streptococcus pneumoniae. Acta Crystallogr.,Sect.F, 75, 2019
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2VER
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![BU of 2ver by Molmil](/molmil-images/mine/2ver) | Structural model for the complex between the Dr adhesins and carcinoembryonic antigen (CEA) | Descriptor: | AFIMBRIAL ADHESIN AFA-III, ARCINOEMBRYONIC ANTIGEN-RELATED CELL ADHESION MOLECULE 5, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate | Authors: | Korotkova, N, Yang, Y, Le Trong, I, Cota, E, Demeler, B, Marchant, J, Thomas, W.E, Stenkamp, R.E, Moseley, S.L, Matthews, S. | Deposit date: | 2007-10-26 | Release date: | 2008-01-08 | Last modified: | 2011-07-13 | Method: | SOLUTION NMR | Cite: | Binding of Dr Adhesins of Escherichia Coli to Carcinoembryonic Antigen Triggers Receptor Dissociation. Mol.Microbiol., 67, 2008
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1RQ5
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![BU of 1rq5 by Molmil](/molmil-images/mine/1rq5) | Structural Basis for the Exocellulase Activity of the Cellobiohydrolase CbhA from C. thermocellum | Descriptor: | CALCIUM ION, Cellobiohydrolase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Schubot, F.D, Kataeva, I.A, Chang, J, Shah, A.K, Ljungdahl, L.G, Rose, J.P, Wang, B.C. | Deposit date: | 2003-12-04 | Release date: | 2004-03-30 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis for the exocellulase activity of the cellobiohydrolase CbhA from Clostridium thermocellum Biochemistry, 43, 2004
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2X78
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![BU of 2x78 by Molmil](/molmil-images/mine/2x78) | Human foamy virus integrase - catalytic core. | Descriptor: | INTEGRASE | Authors: | Rety, S, Delelis, O, Rezabkova, L, Dubanchet, B, Legrand, P, Silhan, J, Lewit-Bentley, A. | Deposit date: | 2010-02-24 | Release date: | 2010-08-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Studies of the Catalytic Core of the Primate Foamy Virus (Pfv-1) Integrase Acta Crystallogr.,Sect.F, 66, 2010
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4EMN
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![BU of 4emn by Molmil](/molmil-images/mine/4emn) | Crystal structure of RpfB catalytic domain in complex with benzamidine | Descriptor: | BENZAMIDINE, Probable resuscitation-promoting factor rpfB, SULFATE ION | Authors: | Ruggiero, A, Marchant, J, Squeglia, F, Makarov, V, De Simone, A, Berisio, R. | Deposit date: | 2012-04-12 | Release date: | 2013-02-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Molecular determinants of inactivation of the resuscitation promoting factor B from Mycobacterium tuberculosis. J.Biomol.Struct.Dyn., 31, 2013
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2UW1
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![BU of 2uw1 by Molmil](/molmil-images/mine/2uw1) | Ivy Desaturase Structure | Descriptor: | (3R)-3-HYDROXY-5,5-DIMETHYLHEXANOIC ACID, FE (III) ION, PLASTID DELTA4 MULTIFUNCTIONAL ACYL-ACYL CARRIER PROTEIN DESATURASE, ... | Authors: | Guy, J.E, Whittle, E, Kumaran, D, Lindqvist, Y, Shanklin, J. | Deposit date: | 2007-03-15 | Release date: | 2007-05-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The Crystal Structure of the Ivy {Delta}4-16:0-Acp Desaturase Reveals Structural Details of the Oxidized Active Site and Potential Determinants of Regioselectivity. J.Biol.Chem., 282, 2007
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2X74
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![BU of 2x74 by Molmil](/molmil-images/mine/2x74) | Human foamy virus integrase - catalytic core. | Descriptor: | INTEGRASE | Authors: | Rety, S, Delelis, O, Rezabkova, L, Dubanchet, B, Legrand, P, Silhan, J, Lewit-Bentley, A. | Deposit date: | 2010-02-23 | Release date: | 2010-08-11 | Last modified: | 2012-04-18 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Structural Studies of the Catalytic Core of the Primate Foamy Virus (Pfv-1) Integrase Acta Crystallogr.,Sect.F, 66, 2010
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4RZX
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4EPY
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![BU of 4epy by Molmil](/molmil-images/mine/4epy) | Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-mediated Activation | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Sun, Q, Burke, J.P, Phan, J, Burns, M.C, Olejniczak, E.T, Waterson, A.G, Lee, T, Rossanese, O.W, Fesik, S.W. | Deposit date: | 2012-04-17 | Release date: | 2012-05-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-Mediated Activation. Angew.Chem.Int.Ed.Engl., 51, 2012
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4O7W
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4O81
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4DM9
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![BU of 4dm9 by Molmil](/molmil-images/mine/4dm9) | The Crystal Structure of Ubiquitin Carboxy-terminal hydrolase L1 (UCHL1) bound to a tripeptide fluoromethyl ketone Z-VAE(OMe)-FMK | Descriptor: | Tripeptide fluoromethyl ketone inhibitor Z-VAE(OMe)-FMK, Ubiquitin carboxyl-terminal hydrolase isozyme L1 | Authors: | Davies, C.W, Chaney, J, Korbel, G, Ringe, D, Petsko, G.A, Ploegh, H, Das, C. | Deposit date: | 2012-02-07 | Release date: | 2012-05-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | The co-crystal structure of ubiquitin carboxy-terminal hydrolase L1 (UCHL1) with a tripeptide fluoromethyl ketone (Z-VAE(OMe)-FMK). Bioorg.Med.Chem.Lett., 22, 2012
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4B5I
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![BU of 4b5i by Molmil](/molmil-images/mine/4b5i) | Product complex of Neisseria AP endonuclease in presence of metal ions | Descriptor: | 5'-D(*3DRP*CP*AP*TP*CP*GP)-3', 5'-D(*CP*GP*AP*TP*GP*GP*GP*TP*AP*GP*CP)-3', 5'-D(*GP*CP*TP*AP*CP)-3', ... | Authors: | Lu, D, Silhan, J, MacDonald, J.T, Carpenter, E.P, Jensen, K, Tang, C.M, Baldwin, G.S, Freemont, P.S. | Deposit date: | 2012-08-03 | Release date: | 2012-10-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.555 Å) | Cite: | Structural basis for the recognition and cleavage of abasic DNA in Neisseria meningitidis. Proc. Natl. Acad. Sci. U.S.A., 109, 2012
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4B5G
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![BU of 4b5g by Molmil](/molmil-images/mine/4b5g) | Substrate bound Neisseria AP endonuclease in absence of metal ions (crystal form 2) | Descriptor: | 5'-D(*CP*GP*AP*TP*GP*GP*GP*TP*AP*GP*CP)-3', 5'-D(*GP*CP*TP*AP*CP*(3DR)P*CP*AP*TP*CP*GP)-3', EXODEOXYRIBONUCLEASE | Authors: | Lu, D, Silhan, J, MacDonald, J.T, Carpenter, E.P, Jensen, K, Tang, C.M, Baldwin, G.S, Freemont, P.S. | Deposit date: | 2012-08-03 | Release date: | 2012-10-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structural basis for the recognition and cleavage of abasic DNA in Neisseria meningitidis. Proc. Natl. Acad. Sci. U.S.A., 109, 2012
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4B5J
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![BU of 4b5j by Molmil](/molmil-images/mine/4b5j) | Neisseria AP endonuclease bound to the substrate with an orphan Adenine base | Descriptor: | 5'-D(*CP*GP*AP*TP*GP*AP*GP*TP*AP*GP*CP)-3', 5'-D(*GP*CP*TP*AP*CP*(3DR)P*CP*AP*TP*CP*GP)-3', PUTATIVE EXODEOXYRIBONUCLEASE | Authors: | Lu, D, Silhan, J, MacDonald, J.T, Carpenter, E.P, Jensen, K, Tang, C.M, Baldwin, G.S, Freemont, P.S. | Deposit date: | 2012-08-03 | Release date: | 2012-10-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for the recognition and cleavage of abasic DNA in Neisseria meningitidis. Proc. Natl. Acad. Sci. U.S.A., 109, 2012
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4B5F
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![BU of 4b5f by Molmil](/molmil-images/mine/4b5f) | Substrate bound Neisseria AP endonuclease in absence of metal ions (crystal form 1) | Descriptor: | 5'-D(*CP*GP*AP*TP*CP*GP*GP*TP*AP*GP*CP)-3', 5'-D(*GP*CP*TP*AP*CP*3DRP*GP*AP*TP*CP*GP)-3', PUTATIVE EXODEOXYRIBONUCLEASE | Authors: | Lu, D, Silhan, J, MacDonald, J.T, Carpenter, E.P, Jensen, K, Tang, C.M, Baldwin, G.S, Freemont, P.S. | Deposit date: | 2012-08-03 | Release date: | 2012-10-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.005 Å) | Cite: | Structural basis for the recognition and cleavage of abasic DNA in Neisseria meningitidis. Proc. Natl. Acad. Sci. U.S.A., 109, 2012
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