4KZ6
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![BU of 4kz6 by Molmil](/molmil-images/mine/4kz6) | Crystal structure of AmpC beta-lactamase in complex with fragment 13 ((2R,6R)-6-methyl-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic acid) | Descriptor: | (2R,6R)-6-methyl-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION | Authors: | Eidam, O, Barelier, S, Fish, I, Shoichet, B.K. | Deposit date: | 2013-05-29 | Release date: | 2014-05-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Increasing chemical space coverage by combining empirical and computational fragment screens. Acs Chem.Biol., 9, 2014
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2JA3
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![BU of 2ja3 by Molmil](/molmil-images/mine/2ja3) | Cytoplasmic Domain of the Human Chloride Transporter ClC-5 in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE CHANNEL PROTEIN 5 | Authors: | Meyer, S, Savaresi, S, Forster, I.C, Dutzler, R. | Deposit date: | 2006-11-21 | Release date: | 2007-01-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Nucleotide Recognition by the Cytoplasmic Domain of the Human Chloride Transporter Clc-5 Nat.Struct.Mol.Biol., 14, 2006
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3OS2
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![BU of 3os2 by Molmil](/molmil-images/mine/3os2) | PFV target capture complex (TCC) at 3.32 A resolution | Descriptor: | DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), DNA (5'-D(*CP*CP*CP*GP*AP*GP*GP*CP*AP*CP*GP*TP*GP*CP*TP*AP*GP*CP*AP*CP*GP*TP*GP*CP*CP*TP*CP*GP*GP*G)-3'), DNA (5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3'), ... | Authors: | Maertens, G.N, Hare, S, Cherepanov, P. | Deposit date: | 2010-09-08 | Release date: | 2010-11-17 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.32 Å) | Cite: | The mechanism of retroviral integration from X-ray structures of its key intermediates Nature, 468, 2010
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3OS1
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![BU of 3os1 by Molmil](/molmil-images/mine/3os1) | PFV target capture complex (TCC) at 2.97 A resolution | Descriptor: | DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), DNA (5'-D(*CP*CP*CP*GP*AP*GP*GP*CP*AP*CP*GP*TP*GP*CP*TP*AP*GP*CP*AP*CP*GP*TP*GP*CP*CP*TP*CP*GP*GP*G)-3'), DNA (5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*(2DA))-3'), ... | Authors: | Maertens, G.N, Hare, S, Cherepanov, P. | Deposit date: | 2010-09-08 | Release date: | 2010-11-17 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.97 Å) | Cite: | The mechanism of retroviral integration from X-ray structures of its key intermediates Nature, 468, 2010
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2WU9
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![BU of 2wu9 by Molmil](/molmil-images/mine/2wu9) | Crystal structure of peroxisomal KAT2 from Arabidopsis thaliana | Descriptor: | 1,2-ETHANEDIOL, 3-KETOACYL-COA THIOLASE 2, PEROXISOMAL | Authors: | Pye, V.E, Christensen, C.E, Dyer, J.H, Arent, S, Henriksen, A. | Deposit date: | 2009-10-01 | Release date: | 2010-05-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Peroxisomal Plant 3-Ketoacyl-Coa Thiolases Structure and Activity are Regulated by a Sensitive Redox Switch J.Biol.Chem., 285, 2010
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2WUA
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![BU of 2wua by Molmil](/molmil-images/mine/2wua) | Structure of the peroxisomal 3-ketoacyl-CoA thiolase from Sunflower | Descriptor: | ACETOACETYL COA THIOLASE | Authors: | Pye, V.E, Christensen, C.E, Dyer, J.H, Arent, S, Henriksen, A. | Deposit date: | 2009-10-01 | Release date: | 2010-05-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Peroxisomal Plant 3-Ketoacyl-Coa Thiolases Structure and Activity are Regulated by a Sensitive Redox Switch J.Biol.Chem., 285, 2010
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2QMB
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![BU of 2qmb by Molmil](/molmil-images/mine/2qmb) | |
2QLS
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![BU of 2qls by Molmil](/molmil-images/mine/2qls) | crystal structure of hemoglobin from dog (Canis familiaris) at 3.5 Angstrom resolution | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Packianathan, C, Sundaresan, S, Palani, K, Neeelagandan, K, Ponnuswamy, M.N. | Deposit date: | 2007-07-13 | Release date: | 2008-07-22 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Purification, Crystallization and Crystal structure analysis of hemoglobin from Dog (Canis familiaris) To be Published
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2LFV
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![BU of 2lfv by Molmil](/molmil-images/mine/2lfv) | Solution Structure of the SPOR domain from E. coli DamX | Descriptor: | Protein damX | Authors: | Williams, K.B, Arends, S.J.R, Popham, D.L, Fowler, C.A, Weiss, D.S. | Deposit date: | 2011-07-15 | Release date: | 2012-07-18 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Nuclear Magnetic Resonance Solution Structure of the Peptidoglycan-Binding SPOR Domain from Escherichia coli DamX: Insights into Septal Localization. Biochemistry, 52, 2013
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2IX5
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![BU of 2ix5 by Molmil](/molmil-images/mine/2ix5) | Short chain specific acyl-CoA oxidase from Arabidopsis thaliana, ACX4 in complex with acetoacetyl-CoA | Descriptor: | ACETOACETYL-COENZYME A, ACYL-COENZYME A OXIDASE 4, PEROXISOMAL, ... | Authors: | Mackenzie, J, Pedersen, L, Arent, S, Henriksen, A. | Deposit date: | 2006-07-07 | Release date: | 2006-08-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Controlling Electron Transfer in Acyl-Coa Oxidases and Dehydrogenases: A Structural View. J.Biol.Chem., 281, 2006
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1ESO
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![BU of 1eso by Molmil](/molmil-images/mine/1eso) | MONOMERIC CU,ZN SUPEROXIDE DISMUTASE FROM ESCHERICHIA COLI | Descriptor: | COPPER (II) ION, CU, ZN SUPEROXIDE DISMUTASE, ... | Authors: | Pesce, A, Capasso, C, Battistoni, A, Folcarelli, S, Rotilio, G, Desideri, A, Bolognesi, M. | Deposit date: | 1997-06-27 | Release date: | 1998-07-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Unique structural features of the monomeric Cu,Zn superoxide dismutase from Escherichia coli, revealed by X-ray crystallography. J.Mol.Biol., 274, 1997
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3EPV
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![BU of 3epv by Molmil](/molmil-images/mine/3epv) | X-ray Structure of the Metal-sensor CnrX in both the Apo- and Copper-bound Forms | Descriptor: | COPPER (II) ION, Nickel and cobalt resistance protein cnrR | Authors: | Pompidor, G, Maillard, A.P, Girard, E, Gambarelli, S, Kahn, R, Coves, J. | Deposit date: | 2008-09-30 | Release date: | 2008-11-25 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.742 Å) | Cite: | X-ray structure of the metal-sensor CnrX in both the apo- and copper-bound forms. Febs Lett., 2008
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2R80
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![BU of 2r80 by Molmil](/molmil-images/mine/2r80) | Pigeon Hemoglobin (OXY form) | Descriptor: | Hemoglobin subunit alpha-A, Hemoglobin subunit beta, OXYGEN MOLECULE, ... | Authors: | Ponnuswamy, M.N, Packianathan, C, Sundaresan, S, Neelagandan, K, Palani, K, Muller, J.J, Heinemann, U. | Deposit date: | 2007-09-10 | Release date: | 2008-09-30 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | X-ray crystal structure analysis of Hemolgobin from Pigeon (Columba Livia) at 1.44 angstrom To be Published
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4KZ3
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![BU of 4kz3 by Molmil](/molmil-images/mine/4kz3) | Crystal structure of AmpC beta-lactamase in complex with fragment 44 (5-chloro-3-sulfamoylthiophene-2-carboxylic acid) | Descriptor: | 5-chloro-3-sulfamoylthiophene-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION | Authors: | Eidam, O, Barelier, S, Fish, I, Shoichet, B.K. | Deposit date: | 2013-05-29 | Release date: | 2014-05-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Increasing chemical space coverage by combining empirical and computational fragment screens. Acs Chem.Biol., 9, 2014
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1YNL
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![BU of 1ynl by Molmil](/molmil-images/mine/1ynl) | Identification of Key residues of the NC6.8 Fab antibody fragment binding to synthetic sweeterners: Crystal structure of NC6.8 co-crystalized with high potency sweetener compound SC45647 | Descriptor: | 2-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-ETHANESULFONIC ACID, Ig gamma heavy chain, Ig gamma light chain | Authors: | Gokulan, K, Khare, S, Ronning, D.R, Linthicum, S.D, Sacchettini, J.C, Rupp, B. | Deposit date: | 2005-01-24 | Release date: | 2005-08-16 | Last modified: | 2018-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Cocrystal Structures of NC6.8 Fab Identify Key Interactions for High Potency Sweetener Recognition: Implications for the Design of Synthetic Sweeteners Biochemistry, 44, 2005
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1KVH
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![BU of 1kvh by Molmil](/molmil-images/mine/1kvh) | NCSi-gb-bulge-DNA complex induced formation of a DNA bulge structure by a molecular wedge ligand-post-activated neocarzinostatin chromophore | Descriptor: | 5'-D(*CP*CP*CP*GP*AP*TP*GP*C)-3', 5'-D(*GP*CP*AP*AP*TP*TP*CP*GP*GP*G)-3', SPIRO[[7-METHOXY-5-METHYL-1,2-DIHYDRO-NAPHTHALENE]-3,1'-[5-HYDROXY-9-[2-METHYLAMINO-2,6-DIDEOXYGALACTOPYRANOSYL-OXY]-5-(2-OXO-[1,3]DIOXOLAN-4-YL)-3A,5,9,9A-TETRAHYDRO-3H-1-OXA-CYCLOPENTA[A]-S-INDACEN-2-ONE]] | Authors: | Gao, X, Stassinopoulos, A, Ji, J, Kwon, Y, Bare, S, Goldberg, I.H. | Deposit date: | 2002-01-26 | Release date: | 2002-06-19 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Induced formation of a DNA bulge structure by a molecular wedge ligand-postactivated neocarzinostatin chromophore. Biochemistry, 41, 2002
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4KZ5
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![BU of 4kz5 by Molmil](/molmil-images/mine/4kz5) | Crystal structure of AmpC beta-lactamase in complex with fragment 5 (N-{[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}glycine) | Descriptor: | Beta-lactamase, N-{[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}glycine, PHOSPHATE ION | Authors: | Eidam, O, Barelier, S, Fish, I, Shoichet, B.K. | Deposit date: | 2013-05-29 | Release date: | 2014-05-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Increasing chemical space coverage by combining empirical and computational fragment screens. Acs Chem.Biol., 9, 2014
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1R54
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![BU of 1r54 by Molmil](/molmil-images/mine/1r54) | Crystal structure of the catalytic domain of human ADAM33 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADAM 33, CALCIUM ION, ... | Authors: | Orth, P, Reicher, P, Wang, W, Prosise, W.W, Yarosh-Tomaine, T, Hammond, G, Xiao, L, Mirza, U.A, Zou, J, Strickland, C, Taremi, S.S. | Deposit date: | 2003-10-09 | Release date: | 2004-10-12 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structre of the catalytic domain of human ADAM33 J.Mol.Biol., 335, 2004
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4KZA
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![BU of 4kza by Molmil](/molmil-images/mine/4kza) | Crystal structure of AmpC beta-lactamase in complex with fragment 48 (3-(cyclopropylsulfamoyl)thiophene-2-carboxylic acid) | Descriptor: | 3-(cyclopropylsulfamoyl)thiophene-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION | Authors: | Eidam, O, Barelier, S, Fish, I, Shoichet, B.K. | Deposit date: | 2013-05-29 | Release date: | 2014-05-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Increasing chemical space coverage by combining empirical and computational fragment screens. Acs Chem.Biol., 9, 2014
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4KZ7
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![BU of 4kz7 by Molmil](/molmil-images/mine/4kz7) | Crystal structure of AmpC beta-lactamase in complex with fragment 16 ((1R,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid) | Descriptor: | (1R,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid, Beta-lactamase, PHOSPHATE ION | Authors: | Eidam, O, Barelier, S, Fish, I, Shoichet, B.K. | Deposit date: | 2013-05-29 | Release date: | 2014-05-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Increasing chemical space coverage by combining empirical and computational fragment screens. Acs Chem.Biol., 9, 2014
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4KZ9
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![BU of 4kz9 by Molmil](/molmil-images/mine/4kz9) | Crystal structure of AmpC beta-lactamase in complex with fragment 41 ((4R,4aS,8aS)-4-phenyldecahydroquinolin-4-ol) | Descriptor: | (4R,4aS,8aS)-4-phenyldecahydroquinolin-4-ol, Beta-lactamase, PHOSPHATE ION | Authors: | Eidam, O, Barelier, S, Fish, I, Shoichet, B.K. | Deposit date: | 2013-05-29 | Release date: | 2014-05-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Increasing chemical space coverage by combining empirical and computational fragment screens. Acs Chem.Biol., 9, 2014
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3OS0
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![BU of 3os0 by Molmil](/molmil-images/mine/3os0) | PFV strand transfer complex (STC) at 2.81 A resolution | Descriptor: | DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), DNA (5'-D(*CP*CP*CP*GP*AP*G*GP*CP*AP*CP*GP*TP*G)-3'), DNA (5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3'), ... | Authors: | Maertens, G.N, Hare, S, Cherepanov, P. | Deposit date: | 2010-09-08 | Release date: | 2010-11-17 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | The mechanism of retroviral integration from X-ray structures of its key intermediates Nature, 468, 2010
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1H7K
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![BU of 1h7k by Molmil](/molmil-images/mine/1h7k) | Formation of a tyrosyl radical intermediate in Proteus mirabilis catalase by directed mutagenesis and consequences for nucleotide reactivity | Descriptor: | ACETATE ION, CATALASE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Andreoletti, P, Gambarelli, S, Gaillard, J, Sainz, G, Stojanoff, V, Jouve, H.M. | Deposit date: | 2001-07-08 | Release date: | 2004-02-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Formation of a Tyrosyl Radical Intermediate in Proteus Mirabilis Catalase by Directed Mutagenesis and Consequences for Nucleotide Reactivity. Biochemistry, 40, 2001
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2F2W
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![BU of 2f2w by Molmil](/molmil-images/mine/2f2w) | alpha-spectrin SH3 domain R21A mutant | Descriptor: | SULFATE ION, Spectrin alpha chain, brain | Authors: | Camara-Artigas, A, Conejero-Lara, F, Casares, S, Lopez-Mayorga, O, Vega, C. | Deposit date: | 2005-11-18 | Release date: | 2006-10-31 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Cooperative propagation of local stability changes from low-stability and high-stability regions in a SH3 domain Proteins, 67, 2007
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2F2X
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![BU of 2f2x by Molmil](/molmil-images/mine/2f2x) | alpha-spectrin SH3 domain R21G mutant | Descriptor: | SULFATE ION, Spectrin alpha chain, brain | Authors: | Camara-Artigas, A, Conejero-Lara, F, Casares, S, Lopez-Mayorga, O, Vega, C. | Deposit date: | 2005-11-18 | Release date: | 2006-10-31 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Cooperative propagation of local stability changes from low-stability and high-stability regions in a SH3 domain Proteins, 67, 2007
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