4P6K
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2BMR
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![BU of 2bmr by Molmil](/molmil-images/mine/2bmr) | The Crystal Structure of Nitrobenzene Dioxygenase in complex with 3- nitrotoluene | Descriptor: | 1,2-ETHANEDIOL, 3-NITROTOLUENE, ETHANOL, ... | Authors: | Friemann, R, Ivkovic-Jensen, M.M, Lessner, D.J, Yu, C, Gibson, D.T, Parales, R.E, Eklund, H, Ramaswamy, S. | Deposit date: | 2005-03-15 | Release date: | 2005-05-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural insight into the dioxygenation of nitroarene compounds: the crystal structure of nitrobenzene dioxygenase. J. Mol. Biol., 348, 2005
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2BZC
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3X1M
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6FMV
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![BU of 6fmv by Molmil](/molmil-images/mine/6fmv) | IMISX-EP of Hg-BacA soaking SIRAS | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CITRATE ANION, ... | Authors: | Huang, C.-Y, Olieric, V, Howe, N, Warshamanage, R, Weinert, T, Panepucci, E, Vogeley, L, Basu, S, Diederichs, K, Caffrey, M, Wang, M. | Deposit date: | 2018-02-02 | Release date: | 2018-09-05 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | In situ serial crystallography for rapid de novo membrane protein structure determination. Commun Biol, 1, 2018
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4P7Q
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![BU of 4p7q by Molmil](/molmil-images/mine/4p7q) | Structure of Escherichia coli PgaB C-terminal domain in complex with N-acetylglucosamine | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Poly-beta-1,6-N-acetyl-D-glucosamine N-deacetylase | Authors: | Little, D.J, Li, G, Ing, C, DiFrancesco, B, Bamford, N.C, Robinson, H, Nitz, M, Pomes, R, Howell, P.L. | Deposit date: | 2014-03-27 | Release date: | 2014-07-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.651 Å) | Cite: | Modification and periplasmic translocation of the biofilm exopolysaccharide poly-beta-1,6-N-acetyl-D-glucosamine. Proc.Natl.Acad.Sci.USA, 111, 2014
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3ZIE
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![BU of 3zie by Molmil](/molmil-images/mine/3zie) | SepF-like protein from Archaeoglobus fulgidus | Descriptor: | SEPF-LIKE PROTEIN | Authors: | Duman, R, Ishikawa, S, Celik, I, Ogasawara, N, Lowe, J, Hamoen, L.W. | Deposit date: | 2013-01-08 | Release date: | 2013-11-20 | Last modified: | 2013-12-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and Genetic Analyses Reveal the Protein Sepf as a New Membrane Anchor for the Z Ring Proc.Natl.Acad.Sci.USA, 110, 2013
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2BJ0
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![BU of 2bj0 by Molmil](/molmil-images/mine/2bj0) | Crystal Structure of AChBP from Bulinus truncatus revals the conserved structural scaffold and sites of variation in nicotinic acetylcholine receptors | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, ACETYLCHOLINE-BINDING PROTEIN | Authors: | Celie, P.H.N, Klaassen, R.V, Van Rossum-Fikkert, S.E, Van Elk, R, Van Nierop, P, Smit, A.B, Sixma, T.K. | Deposit date: | 2005-01-27 | Release date: | 2005-05-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of Acetylcholine-Binding Protein from Bulinus Truncatus Reveals the Conserved Structural Scaffold and Sites of Variation in Nicotinic Acetylcholine Receptors. J.Biol.Chem., 280, 2005
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4M3F
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![BU of 4m3f by Molmil](/molmil-images/mine/4m3f) | Rapid and efficient design of new inhibitors of Mycobacterium tuberculosis transcriptional repressor EthR using fragment growing, merging and linking approaches | Descriptor: | HTH-type transcriptional regulator EthR, N-(3-methylbutyl)-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide | Authors: | Villemagne, B, Flipo, M, Blondiaux, N, Crauste, C, Malaquin, S, Leroux, F, Piveteau, C, Villeret, V, Brodin, P, Villoutreix, B, Sperandio, O, Wohlkonig, A, Wintjens, R, Deprez, B, Baulard, A, Willand, N. | Deposit date: | 2013-08-06 | Release date: | 2014-06-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Ligand Efficiency Driven Design of New Inhibitors of Mycobacterium tuberculosis Transcriptional Repressor EthR Using Fragment Growing, Merging, and Linking Approaches. J.Med.Chem., 57, 2014
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7F4C
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![BU of 7f4c by Molmil](/molmil-images/mine/7f4c) | The crystal structure of the immature holo-enzyme of homoserine dehydrogenase complexed with NADP and 1,4-butandiol from the hyperthermophilic archaeon Sulfurisphaera tokodaii. | Descriptor: | 1,4-BUTANEDIOL, Homoserine dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Ogata, K, Kaneko, R, Kubota, T, Watanabe, K, Kurihara, E, Oshima, T, Yoshimune, K, Goto, M. | Deposit date: | 2021-06-18 | Release date: | 2022-06-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Conformational changes in the catalytic region are responsible for heat-induced activation of hyperthermophilic homoserine dehydrogenase. Commun Biol, 5, 2022
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1KAM
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![BU of 1kam by Molmil](/molmil-images/mine/1kam) | Structure of Bacillus subtilis Nicotinic Acid Mononucleotide Adenylyl Transferase | Descriptor: | NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE | Authors: | Olland, A.M, Underwood, K.W, Czerwinski, R.M, Lo, M.C, Aulabaugh, A, Bard, J, Stahl, M.L, Somers, W.S, Sullivan, F.X, Chopra, R. | Deposit date: | 2001-11-02 | Release date: | 2002-07-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Identification, characterization, and crystal structure of Bacillus subtilis nicotinic acid mononucleotide adenylyltransferase. J.Biol.Chem., 277, 2002
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1KBB
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![BU of 1kbb by Molmil](/molmil-images/mine/1kbb) | Mechanistic Analyses of Catalysis in Human Pancreatic alpha-Amylase: Detailed Kinetic and Structural Studies of Mutants of Three Conserved Carboxylic Acids | Descriptor: | ALPHA-AMYLASE, PANCREATIC, CALCIUM ION, ... | Authors: | Rydberg, E.H, Li, C, Maurus, R, Overall, C.M, Brayer, G.D, Withers, S.G. | Deposit date: | 2001-11-05 | Release date: | 2002-04-10 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Mechanistic analyses of catalysis in human pancreatic alpha-amylase: detailed kinetic and structural studies of mutants of three conserved carboxylic acids. Biochemistry, 41, 2002
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2C13
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![BU of 2c13 by Molmil](/molmil-images/mine/2c13) | 5-hydroxy-levulinic acid bound to Porphobilinogen synthase from Pseudomonas aeruginosa | Descriptor: | CHLORIDE ION, DELTA-AMINOLEVULINIC ACID DEHYDRATASE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Frere, F, Nentwich, M, Gacond, S, Heinz, D.W, Neier, R, Frankenberg-Dinkel, N. | Deposit date: | 2005-09-11 | Release date: | 2006-06-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Probing the Active Site of Pseudomonas Aeruginosa Porphobilinogen Synthase Using Newly Developed Inhibitors. Biochemistry, 45, 2006
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2C3J
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![BU of 2c3j by Molmil](/molmil-images/mine/2c3j) | Identification of a buried pocket for potent and selective inhibition of Chk1: prediction and verification | Descriptor: | DEBROMOHYMENIALDISINE, SERINE/THREONINE-PROTEIN KINASE CHK1, SULFITE ION | Authors: | Foloppe, N, Fisher, L.M, Francis, G, Howes, R, Kierstan, P, Potter, A. | Deposit date: | 2005-10-10 | Release date: | 2005-11-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Identification of a Buried Pocket for Potent and Selective Inhibition of Chk1: Prediction and Verification. Bioorg.Med.Chem., 14, 2006
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2C4G
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![BU of 2c4g by Molmil](/molmil-images/mine/2c4g) | STRUCTURE OF CDK2-CYCLIN A WITH PHA-533514 | Descriptor: | (3Z)-5-ACETYL-3-(BENZOYLIMINO)-3,6-DIHYDROPYRROLO[3,4-C]PYRAZOL-5-IUM, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ... | Authors: | Cameron, A, Fogliatto, G, Pevarello, P, Fancelli, D, Vulpetti, A, Amici, R, Villa, M, Pittala, V, Ciomei, M, Mercurio, C, Bischoff, J.R, Roletto, F, Varasi, M, Brasca, M.G. | Deposit date: | 2005-10-19 | Release date: | 2005-11-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | 3-Amino-1,4,5,6-Tetrahydropyrrolo[3,4-C]Pyrazoles: A New Class of Cdk2 Inhibitors. Bioorg.Med.Chem.Lett., 16, 2006
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4L78
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![BU of 4l78 by Molmil](/molmil-images/mine/4l78) | Xenon Trapping and Statistical Coupling Analysis Uncover Regions Important for Structure and Function of Multidomain Protein StPurL | Descriptor: | ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | Authors: | Tanwar, A.S, Goyal, V.D, Choudhary, D, Panjikar, S, Anand, R. | Deposit date: | 2013-06-13 | Release date: | 2013-12-11 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Importance of hydrophobic cavities in allosteric regulation of formylglycinamide synthetase: insight from xenon trapping and statistical coupling analysis Plos One, 8, 2013
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4RIC
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![BU of 4ric by Molmil](/molmil-images/mine/4ric) | FAN1 Nuclease bound to 5' hydroxyl (dT-dT) single flap DNA | Descriptor: | CALCIUM ION, DNA (5'-D(*GP*CP*TP*GP*AP*GP*GP*AP*GP*TP*CP*T)-3'), DNA (5'-D(*TP*TP*AP*GP*CP*CP*AP*CP*GP*CP*CP*TP*AP*GP*AP*CP*TP*CP*CP*TP*C)-3'), ... | Authors: | Pavletich, N.P, Wang, R. | Deposit date: | 2014-10-05 | Release date: | 2014-12-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | DNA repair. Mechanism of DNA interstrand cross-link processing by repair nuclease FAN1. Science, 346, 2014
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4RBP
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![BU of 4rbp by Molmil](/molmil-images/mine/4rbp) | Crystal structure of HIV neutralizing antibody 2G12 in complex with a bacterial oligosaccharide analog of mammalian oligomanose | Descriptor: | Fab 2G12 heavy chain, Fab 2G12 light chain, GLYCEROL, ... | Authors: | Stanfield, R.L, Wilson, I.A, De Castro, C, Marzaioli, A.M, Pantophlet, R. | Deposit date: | 2014-09-12 | Release date: | 2014-11-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure of the HIV neutralizing antibody 2G12 in complex with a bacterial oligosaccharide analog of mammalian oligomannose. Glycobiology, 25, 2015
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1W47
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![BU of 1w47 by Molmil](/molmil-images/mine/1w47) | P4 protein from Bacteriophage PHI12 in complex with ADP and MN | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, NTPASE P4 | Authors: | Mancini, E.J, Kainov, D.E, Grimes, J.M, Tuma, R, Bamford, D.H, Stuart, D.I. | Deposit date: | 2004-07-22 | Release date: | 2004-11-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Atomic Snapshots of an RNA Packaging Motor Reveal Conformational Changes Linking ATP Hydrolysis to RNA Translocation Cell(Cambridge,Mass.), 118, 2004
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1W5S
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![BU of 1w5s by Molmil](/molmil-images/mine/1w5s) | Structure of the Aeropyrum Pernix ORC2 protein (ADP form) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ORIGIN RECOGNITION COMPLEX SUBUNIT 2 ORC2, SULFATE ION | Authors: | Singleton, M.R, Morales, R, Grainge, I, Cook, N, Isupov, M.N, Wigley, D.B. | Deposit date: | 2004-08-09 | Release date: | 2004-10-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Conformational Changes Induced by Nucleotide Binding in Cdc6/Orc from Aeropyrum Pernix J.Mol.Biol., 343, 2004
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1JV6
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![BU of 1jv6 by Molmil](/molmil-images/mine/1jv6) | BACTERIORHODOPSIN D85S/F219L DOUBLE MUTANT AT 2.00 ANGSTROM RESOLUTION | Descriptor: | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, RETINAL | Authors: | Rouhani, S, Cartailler, J.-P, Facciotti, M.T, Walian, P, Needleman, R, Lanyi, J.K, Glaeser, R.M, Luecke, H. | Deposit date: | 2001-08-28 | Release date: | 2001-10-31 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the D85S mutant of bacteriorhodopsin: model of an O-like photocycle intermediate. J.Mol.Biol., 313, 2001
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6FMX
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![BU of 6fmx by Molmil](/molmil-images/mine/6fmx) | IMISX-EP of W-PgpB | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Phosphatidylglycerophosphatase B, TUNGSTATE(VI)ION | Authors: | Huang, C.-Y, Olieric, V, Howe, N, Warshamanage, R, Weinert, T, Panepucci, E, Vogeley, L, Basu, S, Diederichs, K, Caffrey, M, Wang, M. | Deposit date: | 2018-02-02 | Release date: | 2018-09-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | In situ serial crystallography for rapid de novo membrane protein structure determination. Commun Biol, 1, 2018
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2C15
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![BU of 2c15 by Molmil](/molmil-images/mine/2c15) | 5-(4-Carboxy-2-oxo-butoxy)-4-oxo-pentanoic acid acid bound to Porphobilinogen synthase from Pseudomonas aeruginosa | Descriptor: | DELTA-AMINOLEVULINIC ACID DEHYDRATASE, MAGNESIUM ION | Authors: | Frere, F, Nentwich, M, Gacond, S, Heinz, D.W, Neier, R, Frankenberg-Dinkel, N. | Deposit date: | 2005-09-11 | Release date: | 2006-06-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Probing the Active Site of Pseudomonas Aeruginosa Porphobilinogen Synthase Using Newly Developed Inhibitors. Biochemistry, 45, 2006
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3ZDW
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![BU of 3zdw by Molmil](/molmil-images/mine/3zdw) | Substrate and dioxygen binding to the endospore coat laccase CotA from Bacillus subtilis | Descriptor: | 3-ETHYL-2-[(2Z)-2-(3-ETHYL-6-SULFO-1,3-BENZOTHIAZOL-2(3H)-YLIDENE)HYDRAZINO]-6-SULFO-3H-1,3-BENZOTHIAZOL-1-IUM, COPPER (I) ION, COTA LACCASE, ... | Authors: | Enguita, F.J, Marcal, D, Grenha, R, Lindley, P.F, Carrondo, M.A. | Deposit date: | 2012-12-01 | Release date: | 2012-12-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Substrate and Dioxygen Binding to the Endospore Coat Laccase from Bacillus Subtilis. J.Biol.Chem., 279, 2004
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4RI9
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![BU of 4ri9 by Molmil](/molmil-images/mine/4ri9) | |