2X8F
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![BU of 2x8f by Molmil](/molmil-images/mine/2x8f) | Native structure of Endo-1,5-alpha-L-arabinanases from Bacillus subtilis | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | de Sanctis, D, Inacio, J.M, Lindley, P.F, de Sa-Nogueira, I, Bento, I. | Deposit date: | 2010-03-09 | Release date: | 2011-03-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | New Evidence for the Role of Calcium in the Glycosidase Reaction of Gh43 Arabinanases. FEBS J., 277, 2010
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2WLO
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![BU of 2wlo by Molmil](/molmil-images/mine/2wlo) | POTASSIUM CHANNEL FROM MAGNETOSPIRILLUM MAGNETOTACTICUM | Descriptor: | POTASSIUM CHANNEL, POTASSIUM ION | Authors: | Clarke, O.B, Caputo, A.T, Smith, B.J, Gulbis, J.M. | Deposit date: | 2009-06-24 | Release date: | 2010-06-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (4.036 Å) | Cite: | Domain Reorientation and Rotation of an Intracellular Assembly Regulate Conduction in Kir Potassium Channels. Cell(Cambridge,Mass.), 141, 2010
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2WOA
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![BU of 2woa by Molmil](/molmil-images/mine/2woa) | MMP12 complex with a beta hydroxy carboxylic acid | Descriptor: | (3S)-5-(9H-FLUOREN-2-YL)-3-HYDROXYPENTANOIC ACID, CALCIUM ION, GLYCEROL, ... | Authors: | Holmes, I.P, Gaines, S, Watson, S.P, Lorthioir, O, Walker, A, Baddeley, S.J, Herbert, S, Egan, D, Convery, M.A, Singh, O.M.P, Gross, J.W, Strelow, J.M, Smith, R.H, Amour, A.J, Brown, D, Martin, S.L. | Deposit date: | 2009-07-22 | Release date: | 2009-09-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Identification of Beta-Hydroxy Carboxylic Acids as Selective Mmp-12 Inhibitors. Bioorg.Med.Chem.Lett., 19, 2009
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1GGI
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![BU of 1ggi by Molmil](/molmil-images/mine/1ggi) | CRYSTAL STRUCTURE OF AN HIV-1 NEUTRALIZING ANTIBODY 50.1 IN COMPLEX WITH ITS V3 LOOP PEPTIDE ANTIGEN | Descriptor: | HIV-1 V3 LOOP PEPTIDE ANTIGEN, IGG2A 50.1 FAB (HEAVY CHAIN), IGG2A 50.1 FAB (LIGHT CHAIN) | Authors: | Stanfield, R.L, Rini, J.M, Wilson, I.A. | Deposit date: | 1993-04-02 | Release date: | 1993-10-31 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of a human immunodeficiency virus type 1 neutralizing antibody, 50.1, in complex with its V3 loop peptide antigen. Proc.Natl.Acad.Sci.USA, 90, 1993
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4GL9
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![BU of 4gl9 by Molmil](/molmil-images/mine/4gl9) | Crystal structure of inhibitory protein SOCS3 in complex with JAK2 kinase domain and fragment of GP130 intracellular domain | Descriptor: | 2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE-7-ONE, Interleukin-6 receptor subunit beta, PHOSPHATE ION, ... | Authors: | Kershaw, N.J, Murphy, J.M, Laktyushin, A, Nicola, N.A, Babon, J.J. | Deposit date: | 2012-08-14 | Release date: | 2013-03-06 | Last modified: | 2018-06-13 | Method: | X-RAY DIFFRACTION (3.9 Å) | Cite: | SOCS3 binds specific receptor-JAK complexes to control cytokine signaling by direct kinase inhibition. Nat.Struct.Mol.Biol., 20, 2013
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2XIK
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![BU of 2xik by Molmil](/molmil-images/mine/2xik) | Structure of Human YSK1 (Yeast Sps1-Ste20-related Kinase 1) | Descriptor: | 1,2-ETHANEDIOL, 5-[(E)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]-N-[2-(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE, SERINE/THREONINE PROTEIN KINASE 25 | Authors: | Muniz, J.R.C, Rellos, P, Ugochukwu, E, Vollmar, M, Allerston, C, Chaikuad, A, Savitsky, P, Berridge, G, Brenner, B, Elkins, J.M, Daga, N, Gileadi, O, Mahajan, P, Shrestha, B, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S. | Deposit date: | 2010-06-30 | Release date: | 2010-07-14 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structure of Human Ysk1 (Yeast Sps1-Ste20-Related Kinase 1) To be Published
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2XB8
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![BU of 2xb8 by Molmil](/molmil-images/mine/2xb8) | Structure of Mycobacterium tuberculosis type II dehydroquinase in complex with inhibitor compound (2R)-2-(4-methoxybenzyl)-3- dehydroquinic acid | Descriptor: | (1R,2R,4S,5R)-1,4,5-TRIHYDROXY-2-(4-METHOXYBENZYL)-3-OXOCYCLOHEXANECARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-DEHYDROQUINATE DEHYDRATASE, ... | Authors: | Otero, J.M, Tizon, L, Llamas-Saiz, A.L, Fox, G.C, Gonzalez-Bello, C, van Raaij, M.J. | Deposit date: | 2010-04-08 | Release date: | 2010-09-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Understanding the Key Factors that Control the Inhibition of Type II Dehydroquinase by (2R)-2- Benzyl-3-Dehydroquinic Acids. Chemmedchem, 5, 2010
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2WYW
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![BU of 2wyw by Molmil](/molmil-images/mine/2wyw) | High resolution structure of Thermus thermophilus enoyl-acyl carrier protein reductase NAD and triclosan-form | Descriptor: | ENOYL-[ACYL CARRIER PROTEIN] REDUCTASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN | Authors: | Otero, J.M, Noel, A.J, Guardado-Calvo, P, Llamas-Saiz, A.L, van Raaij, M.J. | Deposit date: | 2009-11-20 | Release date: | 2010-11-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | High-resolution structures of Thermus thermophilus enoyl-acyl carrier protein reductase in the apo form, in complex with NAD+ and in complex with NAD+ and triclosan. Acta Crystallogr. Sect. F Struct. Biol. Cryst. Commun., 68, 2012
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4D89
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![BU of 4d89 by Molmil](/molmil-images/mine/4d89) | Crystal Structure of Human Beta Secretase in Complex with NVP-BXD552, derived from a soaking experiment | Descriptor: | (3S,4S,5R)-3-(4-amino-3-{[(2R)-3-ethoxy-1,1,1-trifluoropropan-2-yl]oxy}-5-fluorobenzyl)-5-[(3-tert-butylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide, Beta-secretase 1 | Authors: | Rondeau, J.M, Bourgier, E. | Deposit date: | 2012-01-10 | Release date: | 2012-11-21 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Discovery of cyclic sulfone hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides J.Med.Chem., 55, 2012
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4D8F
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![BU of 4d8f by Molmil](/molmil-images/mine/4d8f) | Chlamydia trachomatis NrdB with a Mn/Fe cofactor (procedure 1 - high Mn) | Descriptor: | ACETIC ACID, FE (III) ION, MANGANESE (II) ION, ... | Authors: | Dassama, L.M.K, Boal, A.K, Krebs, C, Rosenzweig, A.C, Bollinger Jr, J.M. | Deposit date: | 2012-01-10 | Release date: | 2012-02-15 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Evidence that the beta subunit of Chlamydia trachomatis ribonucleotide reductase is active with the manganese ion of its manganese(IV)/iron(III) cofactor in site 1. J.Am.Chem.Soc., 134, 2012
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1I2W
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![BU of 1i2w by Molmil](/molmil-images/mine/1i2w) | BETA-LACTAMASE FROM BACILLUS LICHENIFORMIS BS3 COMPLEXED WITH CEFOXITIN | Descriptor: | (2R)-5-[(carbamoyloxy)methyl]-2-{(1S)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, BETA-LACTAMASE, CARBAMIC ACID | Authors: | Fonze, E, Vanhove, M, Dive, G, Sauvage, E, Frere, J.M, Charlier, P. | Deposit date: | 2001-02-12 | Release date: | 2002-03-13 | Last modified: | 2018-09-12 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structures of the Bacillus licheniformis BS3 class A beta-lactamase and of the acyl-enzyme adduct formed with cefoxitin Biochemistry, 41, 2002
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2WV9
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![BU of 2wv9 by Molmil](/molmil-images/mine/2wv9) | Crystal Structure of the NS3 protease-helicase from Murray Valley encephalitis virus | Descriptor: | FLAVIVIRIN PROTEASE NS2B REGULATORY SUBUNIT, FLAVIVIRIN PROTEASE NS3 CATALYTIC SUBUNIT | Authors: | Assenberg, R, Mastrangelo, E, Walter, T.S, Verma, A, Milani, M, Owens, R.J, Stuart, D.I, Grimes, J.M, Mancini, E.J. | Deposit date: | 2009-10-15 | Release date: | 2009-12-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Crystal Structure of a Novel Conformational State of the Flavivirus Ns3 Protein: Implications for Polyprotein Processing and Viral Replication. J.Virol., 83, 2009
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2WYV
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![BU of 2wyv by Molmil](/molmil-images/mine/2wyv) | High resolution structure of Thermus thermophilus enoyl-acyl carrier protein reductase NAD-form | Descriptor: | ENOYL-[ACYL CARRIER PROTEIN] REDUCTASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION | Authors: | Otero, J.M, Noel, A.J, Guardado-Calvo, P, Llamas-Saiz, A.L, van Raaij, M.J. | Deposit date: | 2009-11-20 | Release date: | 2010-11-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | High-resolution structures of Thermus thermophilus enoyl-acyl carrier protein reductase in the apo form, in complex with NAD+ and in complex with NAD+ and triclosan. Acta Crystallogr. Sect. F Struct. Biol. Cryst. Commun., 68, 2012
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2WYU
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![BU of 2wyu by Molmil](/molmil-images/mine/2wyu) | High resolution structure of Thermus thermophilus enoyl-acyl carrier protein reductase apo-form | Descriptor: | ENOYL-[ACYL CARRIER PROTEIN] REDUCTASE, GLYCEROL, SODIUM ION | Authors: | Otero, J.M, Noel, A.J, Guardado-Calvo, P, Llamas-Saiz, A.L, van Raaij, M.J. | Deposit date: | 2009-11-20 | Release date: | 2010-11-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | High-resolution structures of Thermus thermophilus enoyl-acyl carrier protein reductase in the apo form, in complex with NAD+ and in complex with NAD+ and triclosan. Acta Crystallogr. Sect. F Struct. Biol. Cryst. Commun., 68, 2012
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2WY8
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![BU of 2wy8 by Molmil](/molmil-images/mine/2wy8) | Staphylococcus aureus complement subversion protein Sbi-IV in complex with complement fragment C3d | Descriptor: | COMPLEMENT C3D FRAGMENT, GLYCEROL, IGG-BINDING PROTEIN | Authors: | Clark, E.A, Crennell, S, Upadhyay, A, Mackay, J.D, Bagby, S, van den Elsen, J.M. | Deposit date: | 2009-11-13 | Release date: | 2010-12-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A Structural Basis for Staphylococcal Complement Subversion: X-Ray Structure of the Complement- Binding Domain of Staphylococcus Aureus Protein Sbi in Complex with Ligand C3D. Mol.Immunol., 48, 2011
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4HEA
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![BU of 4hea by Molmil](/molmil-images/mine/4hea) | Crystal structure of the entire respiratory complex I from Thermus thermophilus | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, IRON/SULFUR CLUSTER, ... | Authors: | Baradaran, R, Berrisford, J.M, Minhas, G.S, Sazanov, L.A. | Deposit date: | 2012-10-03 | Release date: | 2013-02-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.3027 Å) | Cite: | Crystal structure of the entire respiratory complex I. Nature, 494, 2013
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2X1E
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![BU of 2x1e by Molmil](/molmil-images/mine/2x1e) | The crystal structure of mature acyl coenzyme A:isopenicillin N acyltransferase from Penicillium chrysogenum in complex 6- aminopenicillanic acid | Descriptor: | (2S,5R,6R)-6-AMINO-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, ACYL-COENZYME, CHLORIDE ION, ... | Authors: | Bokhove, M, Yoshida, H, Hensgens, C.M.H, van der Laan, J.M, Sutherland, J.D, Dijkstra, B.W. | Deposit date: | 2009-12-23 | Release date: | 2010-03-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of an Isopenicillin N Converting Ntn-Hydrolase Reveal Different Catalytic Roles for the Active Site Residues of Precursor and Mature Enzyme. Structure, 18, 2010
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6K2G
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![BU of 6k2g by Molmil](/molmil-images/mine/6k2g) | |
6WW5
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![BU of 6ww5 by Molmil](/molmil-images/mine/6ww5) | Structure of VcINDY-Na-Fab84 in nanodisc | Descriptor: | 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, DASS family sodium-coupled anion symporter, Fab84 Heavy Chain, ... | Authors: | Sauer, D.B, Marden, J, Song, J.M, Koide, A, Koide, S, Wang, D.N. | Deposit date: | 2020-05-07 | Release date: | 2020-09-16 | Method: | ELECTRON MICROSCOPY (3.15 Å) | Cite: | Structural basis for the reaction cycle of DASS dicarboxylate transporters. Elife, 9, 2020
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6WU3
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![BU of 6wu3 by Molmil](/molmil-images/mine/6wu3) | |
5HGI
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![BU of 5hgi by Molmil](/molmil-images/mine/5hgi) | Crystal structure of apo human IRE1 alpha | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, BETA-MERCAPTOETHANOL, CESIUM ION, ... | Authors: | Feldman, H.C, Tong, M, Wang, L, Meza-Acevedo, R, Gobillot, T.A, Gliedt, J.M, Hari, S.B, Mitra, A.K, Backes, B.J, Papa, F.R, Seeliger, M.A, Maly, D.J. | Deposit date: | 2016-01-08 | Release date: | 2016-06-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.584 Å) | Cite: | Structural and Functional Analysis of the Allosteric Inhibition of IRE1 alpha with ATP-Competitive Ligands. Acs Chem.Biol., 11, 2016
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2XF1
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![BU of 2xf1 by Molmil](/molmil-images/mine/2xf1) | Crystal structure of Plasmodium falciparum actin depolymerization factor 1 | Descriptor: | COFILIN ACTIN-DEPOLYMERIZING FACTOR HOMOLOG 1, SULFATE ION | Authors: | Singh, B.K, Sattler, J.M, Huttu, J, Chatterjee, M, Schueler, H, Kursula, I. | Deposit date: | 2010-05-20 | Release date: | 2011-06-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Crystal Structures Explain Functional Differences in the Two Actin Depolymerization Factors of the Malaria Parasite. J.Biol.Chem., 286, 2011
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2XDA
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![BU of 2xda by Molmil](/molmil-images/mine/2xda) | STRUCTURE OF HELICOBACTER PYLORI TYPE II DEHYDROQUINASE IN COMPLEX WITH INHIBITOR COMPOUND (4R,6R,7S)-2-(2-Cyclopropyl)ethyl-4,6,7- trihydroxy-4,5,6,7-tetrahydrobenzo(b)thiophene-4-carboxylic acid | Descriptor: | (4R,6R,7S)-2-(2-CYCLOPROPYLETHYL)-4,6,7-TRIHYDROXY-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-4-CARBOXYLIC ACID, 3-DEHYDROQUINATE DEHYDRATASE | Authors: | Paz, S, Tizon, L, Otero, J.M, Llamas-Saiz, A.L, Fox, G.C, van Raaij, M.J, Lamb, H, Hawkins, A.R, Castedo, L, Gonzalez-Bello, C. | Deposit date: | 2010-04-30 | Release date: | 2010-11-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Tetrahydrobenzothiophene derivatives: conformationally restricted inhibitors of type II dehydroquinase. ChemMedChem, 6, 2011
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2XD9
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![BU of 2xd9 by Molmil](/molmil-images/mine/2xd9) | STRUCTURE OF HELICOBACTER PYLORI TYPE II DEHYDROQUINASE IN COMPLEX WITH INHIBITOR COMPOUND (4R,6R,7S)-4,6,7-Trihydroxy-2-((E)-prop-1- enyl)-4,5,6,7-tetrahydrobenzo(b)thiophene-4-carboxylic acid | Descriptor: | (4R,6R,7S)-4,6,7-TRIHYDROXY-2-[(1E)-PROP-1-EN-1-YL]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-4-CARBOXYLIC ACID, 3-DEHYDROQUINATE DEHYDRATASE | Authors: | Paz, S, Tizon, L, Otero, J.M, Llamas-Saiz, A.L, Fox, G.C, van Raaij, M.J, Lamb, H, Hawkins, A.R, Lapthorn, A.J, Castedo, L, Gonzalez-Bello, C. | Deposit date: | 2010-04-30 | Release date: | 2010-11-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Tetrahydrobenzothiophene derivatives: conformationally restricted inhibitors of type II dehydroquinase. ChemMedChem, 6, 2011
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2XFA
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![BU of 2xfa by Molmil](/molmil-images/mine/2xfa) | Crystal structure of Plasmodium berghei actin depolymerization factor 2 | Descriptor: | ACTIN DEPOLYMERIZATION FACTOR 2 | Authors: | Singh, B.K, Sattler, J.M, Huttu, J, Chatterjee, M, Schueler, H, Kursula, I. | Deposit date: | 2010-05-21 | Release date: | 2011-06-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structures Explain Functional Differences in the Two Actin Depolymerization Factors of the Malaria Parasite. J.Biol.Chem., 286, 2011
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