4AHS
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![BU of 4ahs by Molmil](/molmil-images/mine/4ahs) | Parallel screening of a low molecular weight compound library: do differences in methodology affect hit identification | Descriptor: | 1,2-ETHANEDIOL, 1-BENZOFURAN-7-CARBOXYLIC ACID, ACETATE ION, ... | Authors: | Wielens, J, Heady, S.J, Rhodes, D.I, Mulder, R.J, Dolezal, O, Deadman, J.J, Newman, J, Chalmers, D.K, Parker, M.W, Peat, T.S, Scanlon, M.J. | Deposit date: | 2012-02-07 | Release date: | 2012-12-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Parallel Screening of Low Molecular Weight Fragment Libraries: Do Differences in Methodology Affect Hit Identification? J.Biomol.Screen, 18, 2013
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4AHU
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![BU of 4ahu by Molmil](/molmil-images/mine/4ahu) | Parallel screening of a low molecular weight compound library: do differences in methodology affect hit identification | Descriptor: | 1,2-ETHANEDIOL, 1H-INDOLE-3-CARBOXYLIC ACID, ACETIC ACID, ... | Authors: | Wielens, J, Heady, S.J, Rhodes, D.I, Mulder, R.J, Dolezal, O, Deadman, J.J, Newman, J, Chalmers, D.K, Parker, M.W, Peat, T.S, Scanlon, M.J. | Deposit date: | 2012-02-07 | Release date: | 2012-12-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Parallel Screening of Low Molecular Weight Fragment Libraries: Do Differences in Methodology Affect Hit Identification? J.Biomol.Screen, 18, 2013
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1DDL
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![BU of 1ddl by Molmil](/molmil-images/mine/1ddl) | DESMODIUM YELLOW MOTTLE TYMOVIRUS | Descriptor: | DESMODIUM YELLOW MOTTLE VIRUS, RNA (5'-R(P*UP*U)-3'), RNA (5'-R(P*UP*UP*UP*UP*UP*UP*U)-3') | Authors: | Larson, S.B, Day, J, Canady, M.A, Greenwood, A, McPherson, A. | Deposit date: | 1999-11-10 | Release date: | 2000-10-30 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Refined structure of desmodium yellow mottle tymovirus at 2.7 A resolution. J.Mol.Biol., 301, 2000
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4BYY
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![BU of 4byy by Molmil](/molmil-images/mine/4byy) | Apo GlxR | Descriptor: | GLYCEROL, PHOSPHATE ION, TRANSCRIPTIONAL REGULATOR, ... | Authors: | Pohl, E, Cann, M.J, Townsend, P.D, Money, V.A. | Deposit date: | 2013-07-21 | Release date: | 2014-07-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | The Crystal Structures of Apo and Camp-Bound Glxr from Corynebacterium Glutamicum Reveal Structural and Dynamic Changes Upon Camp Binding in Crp/Fnr Family Transcription Factors. Plos One, 9, 2014
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1VZM
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![BU of 1vzm by Molmil](/molmil-images/mine/1vzm) | OSTEOCALCIN FROM FISH ARGYROSOMUS REGIUS | Descriptor: | MAGNESIUM ION, OSTEOCALCIN | Authors: | Frazao, C, Simes, D.C, Coelho, R, Alves, D, Williamson, M.K, Price, P.A, Cancela, M.L, Carrondo, M.A. | Deposit date: | 2004-05-21 | Release date: | 2004-09-10 | Last modified: | 2019-05-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural Evidence of a Fourth Gla Residue in Fish Osteocalcin: Biological Implications Biochemistry, 44, 2005
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3VQB
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![BU of 3vqb by Molmil](/molmil-images/mine/3vqb) | HIV-1 IN core domain in complex with 6-fluoro-4H-1,3-benzodioxine-8-carboxylic acid | Descriptor: | 6-fluoro-4H-1,3-benzodioxine-8-carboxylic acid, CADMIUM ION, POL polyprotein, ... | Authors: | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | Deposit date: | 2012-03-21 | Release date: | 2013-01-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification? J Biomol Screen, 18, 2013
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3VQA
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![BU of 3vqa by Molmil](/molmil-images/mine/3vqa) | HIV-1 IN core domain in complex with 1-benzothiophen-6-amine 1,1-dioxide | Descriptor: | 1-benzothiophen-6-amine 1,1-dioxide, CADMIUM ION, POL polyprotein, ... | Authors: | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | Deposit date: | 2012-03-20 | Release date: | 2013-01-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification? J Biomol Screen, 18, 2013
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1APF
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![BU of 1apf by Molmil](/molmil-images/mine/1apf) | ANTHOPLEURIN-B, NMR, 20 STRUCTURES | Descriptor: | ANTHOPLEURIN-B | Authors: | Monks, S.A, Pallaghy, P.K, Scanlon, M.J, Norton, R.S. | Deposit date: | 1995-05-30 | Release date: | 1996-07-11 | Last modified: | 2017-11-29 | Method: | SOLUTION NMR | Cite: | Solution structure of the cardiostimulant polypeptide anthopleurin-B and comparison with anthopleurin-A. Structure, 3, 1995
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4BS1
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![BU of 4bs1 by Molmil](/molmil-images/mine/4bs1) | MuB is an AAAplus ATPase that forms helical filaments to control target selection for DNA transposition | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, TRANSCRIPTIONAL REGULATOR (NTRC FAMILY) | Authors: | Mizuno, N, Dramicanin, M, Mizuuchi, M, Adam, J, Wang, Y, Han, Y.W, Yang, W, Steven, A.C, Mizuuchi, K, Ramon-Maiques, S. | Deposit date: | 2013-06-06 | Release date: | 2013-07-03 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (18 Å) | Cite: | Mub is an Aaa+ ATPase that Forms Helical Filaments to Control Target Selection for DNA Transposition. Proc.Natl.Acad.Sci.USA, 110, 2013
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4BT1
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![BU of 4bt1 by Molmil](/molmil-images/mine/4bt1) | MuB is an AAAplus ATPase that forms helical filaments to control target selection for DNA transposition | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, TRANSCRIPTIONAL REGULATOR | Authors: | Mizuno, N, Dramicanin, M, Mizuuchi, M, Adam, J, Wang, Y, Han, Y.W, Yang, W, Steven, A.C, Mizuuchi, K, Ramon-Maiques, S. | Deposit date: | 2013-06-12 | Release date: | 2013-07-03 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (16 Å) | Cite: | Mub is an Aaa+ ATPase that Forms Helical Filaments to Control Target Selection for DNA Transposition. Proc.Natl.Acad.Sci.USA, 110, 2013
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2LQY
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![BU of 2lqy by Molmil](/molmil-images/mine/2lqy) | Structure and orientation of the gH625-644 membrane interacting region of herpes simplex virus type 1 in a membrane mimetic system. | Descriptor: | Envelope glycoprotein H | Authors: | Isernia, C, Galdiero, S, Russo, L, Falanga, A, Cantisani, M, Vitiello, M, Fattorusso, R, Malgieri, G, Galdiero, M. | Deposit date: | 2012-03-19 | Release date: | 2012-04-25 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure and Orientation of the gH625-644 Membrane Interacting Region of Herpes Simplex Virus Type 1 in a Membrane Mimetic System. Biochemistry, 51, 2012
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2JWD
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![BU of 2jwd by Molmil](/molmil-images/mine/2jwd) | protein A | Descriptor: | Immunoglobulin G-binding protein A | Authors: | Robertson, A, Horne, J, Scanlon, M.J, Bottomley, S.P. | Deposit date: | 2007-10-09 | Release date: | 2008-10-21 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Polyglutamine length-dependent midfolding is confined to the Poly-Q region To be Published
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2IJY
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![BU of 2ijy by Molmil](/molmil-images/mine/2ijy) | |
2KB4
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![BU of 2kb4 by Molmil](/molmil-images/mine/2kb4) | NMR structure of the unphosphorylated form of OdhI, OdhI. | Descriptor: | Oxoglutarate dehydrogenase inhibitor | Authors: | Barthe, P, Roumestand, C, Canova, M, Hurard, C, Molle, V, Cohen-Gonsaud, M. | Deposit date: | 2008-11-20 | Release date: | 2009-05-05 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | Dynamic and Structural Characterization of a Bacterial FHA Protein Reveals a New Autoinhibition Mechanism. Structure, 17, 2009
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2KB3
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![BU of 2kb3 by Molmil](/molmil-images/mine/2kb3) | NMR Structure of the phosphorylated form of OdhI, pOdhI. | Descriptor: | Oxoglutarate dehydrogenase inhibitor | Authors: | Barthe, P, Roumestand, C, Canova, M, Hurard, C, Molle, V, Cohen-Gonsaud, M. | Deposit date: | 2008-11-20 | Release date: | 2009-05-05 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Dynamic and Structural Characterization of a Bacterial FHA Protein Reveals a New Autoinhibition Mechanism. Structure, 17, 2009
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2K4C
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![BU of 2k4c by Molmil](/molmil-images/mine/2k4c) | tRNAPhe-based homology model for tRNAVal refined against base N-H RDCs in two media and SAXS data | Descriptor: | 76-MER | Authors: | Grishaev, A, Ying, J, Canny, M.D, Pardi, A, Bax, A. | Deposit date: | 2008-06-04 | Release date: | 2008-12-09 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR, SOLUTION SCATTERING | Cite: | Solution structure of tRNAVal from refinement of homology model against residual dipolar coupling and SAXS data. J.Biomol.Nmr, 42, 2008
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1J5H
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![BU of 1j5h by Molmil](/molmil-images/mine/1j5h) | Solution Structure of Apo-Neocarzinostatin | Descriptor: | Apo-Neocarzinostatin | Authors: | Urbaniak, M.D, Muskett, F.W, Finucane, M.D, Caddick, S, Woolfson, D.N. | Deposit date: | 2002-05-02 | Release date: | 2002-09-11 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution Structure of a Novel Chromoprotein Derived from Apo-Neocarzinostatin and a Synthetic Chromophore Biochemistry, 41, 2002
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2ZNM
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![BU of 2znm by Molmil](/molmil-images/mine/2znm) | Oxidoreductase NmDsbA3 from Neisseria meningitidis | Descriptor: | Thiol:disulfide interchange protein DsbA | Authors: | Vivian, J.P, Scoullar, J, Robertson, A.L, Bottomley, S.P, Horne, J, Chin, Y, Velkov, T, Wielens, J, Thompson, P.E, Piek, S, Byres, E, Beddoe, T, Wilce, M.C.J, Kahler, C, Rossjohn, J, Scanlon, M.J. | Deposit date: | 2008-04-30 | Release date: | 2008-08-19 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and Biochemical Characterization of the Oxidoreductase NmDsbA3 from Neisseria meningitidis J.Biol.Chem., 283, 2008
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1UNF
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![BU of 1unf by Molmil](/molmil-images/mine/1unf) | The crystal structure of the eukaryotic FeSOD from Vigna unguiculata suggests a new enzymatic mechanism | Descriptor: | FE (III) ION, IRON SUPEROXIDE DISMUTASE | Authors: | Munoz, I.G, Moran, J.F, Becana, M, Montoya, G. | Deposit date: | 2003-09-10 | Release date: | 2004-10-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | The Crystal Structure of an Eukaryotic Iron Superoxide Dismutase Suggests Intersubunit Cooperation During Catalysis Protein Sci., 14, 2005
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3AKM
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![BU of 3akm by Molmil](/molmil-images/mine/3akm) | X-ray structure of iFABP from human and rat with bound fluorescent fatty acid analogue | Descriptor: | 11-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)undecanoic acid, Fatty acid-binding protein, intestinal, ... | Authors: | Wielens, J, Laguerre, A.J.K, Parker, M.W, Scanlon, M.J. | Deposit date: | 2010-07-14 | Release date: | 2011-07-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of human and rat intestinal fatty acid binding proteins in complex with 11-(Dansylamino)undecanoic acid To be Published
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3AO5
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![BU of 3ao5 by Molmil](/molmil-images/mine/3ao5) | Fragment-based approach to the design of ligands targeting a novel site on HIV-1 integrase | Descriptor: | 5-(7-bromo-1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazol-3-amine, CADMIUM ION, CHLORIDE ION, ... | Authors: | Wielens, J, Headey, S.J, Parker, M.W, Chalmers, D.K, Scanlon, M.J. | Deposit date: | 2010-09-21 | Release date: | 2011-03-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Fragment-based design of ligands targeting a novel site on the integrase enzyme of human immunodeficiency virus 1 Chemmedchem, 6, 2011
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3AO4
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![BU of 3ao4 by Molmil](/molmil-images/mine/3ao4) | Fragment-based approach to the design of ligands targeting a novel site on HIV-1 integrase | Descriptor: | 3-(1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazol-5-amine, CADMIUM ION, CHLORIDE ION, ... | Authors: | Wielens, J, Headey, S.J, Parker, M.W, Chalmers, D.K, Scanlon, M.J. | Deposit date: | 2010-09-20 | Release date: | 2011-03-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Fragment-based design of ligands targeting a novel site on the integrase enzyme of human immunodeficiency virus 1 Chemmedchem, 6, 2011
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3AO3
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![BU of 3ao3 by Molmil](/molmil-images/mine/3ao3) | Fragment-based approach to the design of ligands targeting a novel site on HIV-1 integrase | Descriptor: | 3-(1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazole-5-carboxylic acid, CADMIUM ION, CHLORIDE ION, ... | Authors: | Wielens, J, Headey, S.J, Parker, M.W, Chalmers, D.K, Scanlon, M.J. | Deposit date: | 2010-09-20 | Release date: | 2011-03-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Fragment-based design of ligands targeting a novel site on the integrase enzyme of human immunodeficiency virus 1 Chemmedchem, 6, 2011
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1M1C
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![BU of 1m1c by Molmil](/molmil-images/mine/1m1c) | Structure of the L-A virus | Descriptor: | Major coat protein | Authors: | Naitow, H, Tang, J, Canady, M, Wickner, R.B, Johnson, J.E. | Deposit date: | 2002-06-18 | Release date: | 2002-10-02 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | L-A virus at 3.4 A resolution reveals particle architecture and mRNA decapping mechanism. Nat.Struct.Biol., 9, 2002
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3A3T
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![BU of 3a3t by Molmil](/molmil-images/mine/3a3t) | The oxidoreductase NmDsbA1 from N. meningitidis | Descriptor: | Thiol:disulfide interchange protein DsbA | Authors: | Vivian, J.P, Scoullar, J, Bushell, S, Beddoe, T, Wilce, M.C.J, Byres, E, Boyle, T.P, Rimmer, K, Doak, B, Simpson, J.S, Graham, B, Heras, B, Kahler, C.M, Rossjohn, J, Scanlon, M.J. | Deposit date: | 2009-06-19 | Release date: | 2009-10-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure and function of the oxidoreductase DsbA1 from Neisseria meningitidis J.Mol.Biol., 394, 2009
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