2WPW
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![BU of 2wpw by Molmil](/molmil-images/mine/2wpw) | Tandem GNAT protein from the clavulanic acid biosynthesis pathway (without AcCoA) | Descriptor: | ACETYL COENZYME *A, ORF14 | Authors: | Iqbal, A, Arunlanantham, H, McDonough, M.A, Chowdhury, R, Clifton, I.J. | Deposit date: | 2009-08-11 | Release date: | 2009-12-29 | Last modified: | 2018-03-28 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Crystallographic and mass spectrometric analyses of a tandem GNAT protein from the clavulanic acid biosynthesis pathway. Proteins, 78, 2010
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2ZCG
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2WSD
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![BU of 2wsd by Molmil](/molmil-images/mine/2wsd) | Proximal mutations at the type 1 Cu site of CotA-laccase: I494A mutant | Descriptor: | 1,2-ETHANEDIOL, COPPER (II) ION, OXYGEN MOLECULE, ... | Authors: | Silva, C.S, Durao, P, Chen, Z, Soares, C.M, Pereira, M.M, Todorovic, S, Hildebrandt, P, Martins, L.O, Lindley, P.F, Bento, I. | Deposit date: | 2009-09-04 | Release date: | 2010-09-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Proximal Mutations at the Type 1 Copper Site of Cota Laccase: Spectroscopic, Redox, Kinetic and Structural Characterization of I494A and L386A Mutants. Biochem.J., 412, 2008
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3BB7
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![BU of 3bb7 by Molmil](/molmil-images/mine/3bb7) | Structure of Prevotella intermedia prointerpain A fragment 39-359 (mutant C154A) | Descriptor: | interpain A | Authors: | Mallorqui-Fernandez, N, Manandhar, S.P, Mallorqui-Fernandez, G, Uson, I, Wawrzonek, K, Kantyka, T, Sola, M, Thogersen, I.B, Enghild, J.J, Potempa, J, Gomis-Ruth, F.X. | Deposit date: | 2007-11-09 | Release date: | 2007-11-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A New Autocatalytic Activation Mechanism for Cysteine Proteases Revealed by Prevotella intermedia Interpain A J.Biol.Chem., 283, 2008
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4HYV
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![BU of 4hyv by Molmil](/molmil-images/mine/4hyv) | Pyruvate kinase (PYK) from Trypanosoma brucei in the presence of Magnesium, PEP and F26BP | Descriptor: | 2,6-di-O-phosphono-beta-D-fructofuranose, CHLORIDE ION, GLYCEROL, ... | Authors: | Zhong, W, Morgan, H.P, McNae, I.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | Deposit date: | 2012-11-14 | Release date: | 2013-09-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | `In crystallo' substrate binding triggers major domain movements and reveals magnesium as a co-activator of Trypanosoma brucei pyruvate kinase. Acta Crystallogr.,Sect.D, 69, 2013
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2WTJ
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![BU of 2wtj by Molmil](/molmil-images/mine/2wtj) | CRYSTAL STRUCTURE OF CHK2 IN COMPLEX WITH AN INHIBITOR | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-5-(2,3-DIHYDROTHIENO[3,4-B][1,4]DIOXIN-5-YL)-N-[2-(DIMETHYLAMINO)ETHYL]PYRIDINE-3-CARBOXAMIDE, CHECKPOINT KINASE 2, ... | Authors: | Hilton, S, Naud, S, Caldwell, J.J, Boxall, K, Burns, S, Anderson, V.E, Antoni, L, Allen, C.E, Pearl, L.H, Oliver, A.W, Aherne, G.W, Garrett, M.D, Collins, I. | Deposit date: | 2009-09-16 | Release date: | 2009-12-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Identification and Characterisation of 2-Aminopyridine Inhibitors of Checkpoint Kinase 2 Bioorg.Med.Chem., 18, 2010
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4I5I
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![BU of 4i5i by Molmil](/molmil-images/mine/4i5i) | Crystal structure of the SIRT1 catalytic domain bound to NAD and an EX527 analog | Descriptor: | (6S)-2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxamide, NAD-dependent protein deacetylase sirtuin-1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Zhao, X, Allison, D, Condon, B, Zhang, F, Gheyi, T, Zhang, A, Ashok, S, Russell, M, Macewan, I, Qian, Y, Jamison, J.A, Luz, J.G. | Deposit date: | 2012-11-28 | Release date: | 2013-01-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The 2.5 angstrom crystal structure of the SIRT1 catalytic domain bound to nicotinamide adenine dinucleotide (NAD+) and an indole (EX527 analogue) reveals a novel mechanism of histone deacetylase inhibition. J.Med.Chem., 56, 2013
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2X9M
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![BU of 2x9m by Molmil](/molmil-images/mine/2x9m) | Hendra virus attachment glycoprotein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCOPROTEIN G | Authors: | Bowden, T.A, Crispin, M, Harvey, D, Jones, E.Y, Stuart, D.I. | Deposit date: | 2010-03-23 | Release date: | 2010-04-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Dimeric Architecture of the Hendra Virus Attachment Glycoprotein: Evidence for a Conserved Mode of Assembly. J.Virol., 84, 2010
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4M2L
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![BU of 4m2l by Molmil](/molmil-images/mine/4m2l) | Gamma subunit of the translation initiation factor 2 from Sulfolobus solfataricus in nucleotide-free form | Descriptor: | 1,2-ETHANEDIOL, PHOSPHATE ION, SULFATE ION, ... | Authors: | Nikonov, O.S, Stolboushkina, E.A, Arkhipova, V.I, Gabdulkhakov, A.G, Nikulin, A.D, Garber, M.B, Nikonov, S.V. | Deposit date: | 2013-08-05 | Release date: | 2014-03-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.149 Å) | Cite: | Conformational transitions in the gamma subunit of the archaeal translation initiation factor 2. Acta Crystallogr.,Sect.D, 70, 2014
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4BDK
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![BU of 4bdk by Molmil](/molmil-images/mine/4bdk) | Fragment-based screening identifies a new area for inhibitor binding to checkpoint kinase 2 (CHK2) | Descriptor: | 1,2-ETHANEDIOL, CHECKPOINT KINASE 2, N-[(4-methoxyphenyl)methyl]quinoxaline-6-carboxamide, ... | Authors: | Silva-Santisteban, M.C, Westwood, I.M, Boxall, K, Brown, N, Peacock, S, McAndrew, C, Barrie, E, Richards, M, Mirza, A, Oliver, A.W, Burke, R, Hoelder, S, Jones, K, Aherne, G.W, Blagg, J, Collins, I, Garrett, M.D, van Montfort, R.L.M. | Deposit date: | 2012-10-05 | Release date: | 2013-06-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Fragment-Based Screening Maps Inhibitor Interactions in the ATP-Binding Site of Checkpoint Kinase 2. Plos One, 8, 2013
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1F2D
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![BU of 1f2d by Molmil](/molmil-images/mine/1f2d) | 1-AMINOCYCLOPROPANE-1-CARBOXYLATE DEAMINASE | Descriptor: | 1-AMINOCYCLOPROPANE-1-CARBOXYLATE DEAMINASE, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | Authors: | Yao, M, Ose, T, Sugimoto, H, Horiuchi, A, Nakagawa, A, Yokoi, D, Murakami, T, Honma, M, Wakatsuki, S, Tanaka, I. | Deposit date: | 2000-05-24 | Release date: | 2000-12-20 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of 1-aminocyclopropane-1-carboxylate deaminase from Hansenula saturnus. J.Biol.Chem., 275, 2000
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3BBA
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![BU of 3bba by Molmil](/molmil-images/mine/3bba) | Structure of active wild-type Prevotella intermedia interpain A cysteine protease | Descriptor: | interpain A | Authors: | Mallorqui-Fernandez, N, Manandhar, S.P, Mallorqui-Fernandez, G, Uson, I, Wawrzonek, K, Kantyka, T, Sola, M, Thogersen, I.B, Enghild, J.J, Potempa, J, Gomis-Ruth, F.X. | Deposit date: | 2007-11-09 | Release date: | 2007-11-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | A New Autocatalytic Activation Mechanism for Cysteine Proteases Revealed by Prevotella intermedia Interpain A J.Biol.Chem., 283, 2008
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3BCC
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![BU of 3bcc by Molmil](/molmil-images/mine/3bcc) | STIGMATELLIN AND ANTIMYCIN BOUND CYTOCHROME BC1 COMPLEX FROM CHICKEN | Descriptor: | ANTIMYCIN, FE2/S2 (INORGANIC) CLUSTER, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Zhang, Z, Huang, L, Shulmeister, V.M, Chi, Y.-I, Kim, K.K, Hung, L.-W, Crofts, A.R, Berry, E.A, Kim, S.-H. | Deposit date: | 1998-03-23 | Release date: | 1998-08-19 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Electron transfer by domain movement in cytochrome bc1. Nature, 392, 1998
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2WKJ
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![BU of 2wkj by Molmil](/molmil-images/mine/2wkj) | Crystal structure of the E192N mutant of E. Coli N-acetylneuraminic acid lyase in complex with pyruvate at 1.45A resolution in space group P212121 | Descriptor: | N-ACETYLNEURAMINATE LYASE, PENTAETHYLENE GLYCOL, PYRUVIC ACID | Authors: | Campeotto, I, Carr, S.B, Trinh, C.H, Nelson, A.S, Berry, A, Phillips, S.E.V, Pearson, A.R. | Deposit date: | 2009-06-11 | Release date: | 2009-12-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structure of an Escherichia coli N-acetyl-D-neuraminic acid lyase mutant, E192N, in complex with pyruvate at 1.45 angstrom resolution. Acta Crystallogr. Sect. F Struct. Biol. Cryst. Commun., 65, 2009
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4BDG
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![BU of 4bdg by Molmil](/molmil-images/mine/4bdg) | Fragment-based screening identifies a new area for inhibitor binding to checkpoint kinase 2 (CHK2) | Descriptor: | 1,2-ETHANEDIOL, 3-(PYRIDIN-3-YL)-1H-PYRAZOL-5-AMINE, CHLORIDE ION, ... | Authors: | Silva-Santisteban, M.C, Westwood, I.M, Boxall, K, Brown, N, Peacock, S, McAndrew, C, Barrie, E, Richards, M, Mirza, A, Oliver, A.W, Burke, R, Hoelder, S, Jones, K, Aherne, G.W, Blagg, J, Collins, I, Garrett, M.D, van Montfort, R.L.M. | Deposit date: | 2012-10-05 | Release date: | 2013-06-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Fragment-Based Screening Maps Inhibitor Interactions in the ATP-Binding Site of Checkpoint Kinase 2. Plos One, 8, 2013
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1F5Y
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![BU of 1f5y by Molmil](/molmil-images/mine/1f5y) | NMR STRUCTURE OF A CONCATEMER OF THE FIRST AND SECOND LIGAND-BINDING MODULES OF THE HUMAN LDL RECEPTOR | Descriptor: | CALCIUM ION, LOW-DENSITY LIPOPROTEIN RECEPTOR | Authors: | Kurniawan, N.D, Atkins, A.R, Brereton, I.M, Kroon, P.A, Smith, R. | Deposit date: | 2000-06-18 | Release date: | 2000-08-30 | Last modified: | 2022-02-16 | Method: | SOLUTION NMR | Cite: | NMR structure of a concatemer of the first and second ligand-binding modules of the human low-density lipoprotein receptor. Protein Sci., 9, 2000
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3RS8
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![BU of 3rs8 by Molmil](/molmil-images/mine/3rs8) | Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima in complex with ADP-ribose | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W. | Deposit date: | 2011-05-02 | Release date: | 2011-06-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Identification of unknown protein function using metabolite cocktail screening. Structure, 20, 2012
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3RTE
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![BU of 3rte by Molmil](/molmil-images/mine/3rte) | Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima soaked with NADP and ATP. | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W. | Deposit date: | 2011-05-03 | Release date: | 2011-06-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Identification of unknown protein function using metabolite cocktail screening. Structure, 20, 2012
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4LP6
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![BU of 4lp6 by Molmil](/molmil-images/mine/4lp6) | Crystal Structure of Human Carbonic Anhydrase II in complex with a quinoline oligoamide foldamer | Descriptor: | 8-({[4-(3-aminopropoxy)-8-({[4-hydroxy-8-({[4-(2-methylpropoxy)-8-({[4-(3-{[(4-sulfamoylbenzoyl)amino]methyl}phenoxy)butyl]carbamoyl}amino)quinolin-2-yl]carbonyl}amino)quinolin-2-yl]carbonyl}amino)quinolin-2-yl]carbonyl}amino)-4-(carboxymethoxy)quinoline-2-carboxylic acid, Carbonic anhydrase 2, ZINC ION | Authors: | Buratto, J, Granier, T, Langlois D'estaintot, B, Huc, I, Gallois, B. | Deposit date: | 2013-07-15 | Release date: | 2013-10-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure of a complex formed by a protein and a helical aromatic oligoamide foldamer at 2.1 angstrom resolution. Angew.Chem.Int.Ed.Engl., 53, 2014
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3RS9
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![BU of 3rs9 by Molmil](/molmil-images/mine/3rs9) | Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima in complex with P1,P3-Di(adenosine-5') triphosphate | Descriptor: | BIS(ADENOSINE)-5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W. | Deposit date: | 2011-05-02 | Release date: | 2011-06-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.103 Å) | Cite: | Identification of unknown protein function using metabolite cocktail screening. Structure, 20, 2012
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3RTG
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![BU of 3rtg by Molmil](/molmil-images/mine/3rtg) | Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima soaked with Coenzyme A and ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, COENZYME A, MAGNESIUM ION, ... | Authors: | Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W. | Deposit date: | 2011-05-03 | Release date: | 2011-06-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.052 Å) | Cite: | Identification of unknown protein function using metabolite cocktail screening. Structure, 20, 2012
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2WIW
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![BU of 2wiw by Molmil](/molmil-images/mine/2wiw) | Crystal structures of Holliday junction resolvases from Archaeoglobus fulgidus bound to DNA substrate | Descriptor: | 5'-D(*DC*DG*DG*DA*DT*DA*DT*DC*DC*DGP)-3', GLYCEROL, HEXANE-1,6-DIOL, ... | Authors: | Carolis, C, Koehler, C, Sauter, C, Basquin, J, Suck, D, Toeroe, I. | Deposit date: | 2009-05-18 | Release date: | 2009-05-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structures of Holliday Junction Resolvases from Archaeoglobus Fulgidus Bound to DNA Substrate To be Published
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2WI0
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1F9A
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![BU of 1f9a by Molmil](/molmil-images/mine/1f9a) | CRYSTAL STRUCTURE ANALYSIS OF NMN ADENYLYLTRANSFERASE FROM METHANOCOCCUS JANNASCHII | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, HYPOTHETICAL PROTEIN MJ0541, MAGNESIUM ION | Authors: | D'Angelo, I, Raffaelli, N, Dabusti, V, Lorenzi, T, Magni, G, Rizzi, M. | Deposit date: | 2000-07-09 | Release date: | 2001-01-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of nicotinamide mononucleotide adenylyltransferase: a key enzyme in NAD(+) biosynthesis. Structure Fold.Des., 8, 2000
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3U1S
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![BU of 3u1s by Molmil](/molmil-images/mine/3u1s) | Crystal structure of human Fab PGT145, a broadly reactive and potent HIV-1 neutralizing antibody | Descriptor: | Fab PGT145 Heavy chain, Fab PGT145 Light chain, GLYCEROL, ... | Authors: | Julien, J.-P, Diwanji, D, Burton, D.R, Wilson, I.A. | Deposit date: | 2011-09-30 | Release date: | 2011-12-07 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of HIV-1 gp120 V1/V2 domain with broadly neutralizing antibody PG9. Nature, 480, 2011
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