2VTT
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![BU of 2vtt by Molmil](/molmil-images/mine/2vtt) | Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. | Descriptor: | 4-{[(2,6-difluorophenyl)carbonyl]amino}-N-[(3S)-piperidin-3-yl]-1H-pyrazole-3-carboxamide, CELL DIVISION PROTEIN KINASE 2 | Authors: | Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J. | Deposit date: | 2008-05-15 | Release date: | 2008-08-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. J.Med.Chem., 51, 2008
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6P4A
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6P0S
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![BU of 6p0s by Molmil](/molmil-images/mine/6p0s) | Crystal structure of ternary DNA complex "FX2" containing E. coli Fis and phage lambda Xis | Descriptor: | DNA (27-MER), FX1-2, DNA-binding protein Fis, ... | Authors: | Hancock, S.P, Cascio, D, Johnson, R.C. | Deposit date: | 2019-05-17 | Release date: | 2019-06-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Cooperative DNA binding by proteins through DNA shape complementarity. Nucleic Acids Res., 47, 2019
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4XBI
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![BU of 4xbi by Molmil](/molmil-images/mine/4xbi) | Structure Of A Malarial Protein Involved in Proteostasis | Descriptor: | ClpB protein, putative,Green fluorescent protein, SULFATE ION | Authors: | Egea, P.F, Ah Young, A.P, Cascio, D. | Deposit date: | 2014-12-17 | Release date: | 2015-07-29 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.013 Å) | Cite: | Structural mapping of the ClpB ATPases of Plasmodium falciparum: Targeting protein folding and secretion for antimalarial drug design. Protein Sci., 24, 2015
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1SLH
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![BU of 1slh by Molmil](/molmil-images/mine/1slh) | Mycobacterium tuberculosis dUTPase complexed with magnesium and dUDP | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DEOXYURIDINE-5'-DIPHOSPHATE, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ... | Authors: | Sawaya, M.R, Chan, S, Segelke, B, Lekin, T, Krupka, H, Cho, U.S, Kim, M.-Y, So, M, Kim, C.-Y, Naranjo, C.M, Rogers, Y.C, Park, M.S, Waldo, G.S, Pashkov, I, Cascio, D, Yeates, T.O, Perry, J.L, Terwilliger, T.C, Eisenberg, D, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2004-03-05 | Release date: | 2004-03-16 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of the Mycobacterium tuberculosis dUTPase: insights into the catalytic mechanism. J.Mol.Biol., 341, 2004
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1FNJ
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![BU of 1fnj by Molmil](/molmil-images/mine/1fnj) | CRYSTAL STRUCTURE ANALYSIS OF CHORISMATE MUTASE MUTANT C88S/R90K | Descriptor: | PROTEIN (CHORISMATE MUTASE) | Authors: | Kast, P, Grisostomi, C, Chen, I.A, Li, S, Krengel, U, Xue, Y, Hilvert, D. | Deposit date: | 2000-08-22 | Release date: | 2000-10-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A strategically positioned cation is crucial for efficient catalysis by chorismate mutase. J.Biol.Chem., 275, 2000
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3B35
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![BU of 3b35 by Molmil](/molmil-images/mine/3b35) | Crystal structure of the M180A mutant of the aminopeptidase from Vibrio proteolyticus | Descriptor: | Bacterial leucyl aminopeptidase, SODIUM ION, THIOCYANATE ION, ... | Authors: | Ataie, N.J, Hoang, Q.Q, Petsko, G.A, Ringe, D. | Deposit date: | 2007-10-19 | Release date: | 2007-11-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Zinc coordination geometry and ligand binding affinity: the structural and kinetic analysis of the second-shell serine 228 residue and the methionine 180 residue of the aminopeptidase from Vibrio proteolyticus. Biochemistry, 47, 2008
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4XRD
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![BU of 4xrd by Molmil](/molmil-images/mine/4xrd) | Salmonella typhimurium AhpC W169F mutant | Descriptor: | Alkyl hydroperoxide reductase subunit C, CHLORIDE ION, POTASSIUM ION, ... | Authors: | Perkins, A, Nelson, K, Parsonage, D, Poole, L, Karplus, P.A. | Deposit date: | 2015-01-21 | Release date: | 2016-01-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Experimentally Dissecting the Origins of Peroxiredoxin Catalysis. Antioxid.Redox Signal., 28, 2018
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4XS4
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![BU of 4xs4 by Molmil](/molmil-images/mine/4xs4) | Salmonella typhimurium AhpC C165S mutant | Descriptor: | Alkyl hydroperoxide reductase subunit C, POTASSIUM ION | Authors: | Perkins, A, Nelson, K, Parsonage, D, Poole, L, Karplus, P.A. | Deposit date: | 2015-01-21 | Release date: | 2016-01-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Experimentally Dissecting the Origins of Peroxiredoxin Catalysis. Antioxid.Redox Signal., 28, 2018
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6P7V
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![BU of 6p7v by Molmil](/molmil-images/mine/6p7v) | Structure of the K. lactis CBF3 core | Descriptor: | Cep3, Ctf13, Skp1 | Authors: | Lee, P.D, Wei, H, Tan, D, Harrison, S.C. | Deposit date: | 2019-06-06 | Release date: | 2019-09-11 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structure of the Centromere Binding Factor 3 Complex from Kluyveromyces lactis. J.Mol.Biol., 431, 2019
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4XTS
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![BU of 4xts by Molmil](/molmil-images/mine/4xts) | Salmonella typhimurium AhpC T43A mutant | Descriptor: | Alkyl hydroperoxide reductase subunit C, CHLORIDE ION | Authors: | Perkins, A, Nelson, K, Parsonage, D, Poole, L, Karplus, P.A. | Deposit date: | 2015-01-24 | Release date: | 2016-01-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.704 Å) | Cite: | Experimentally Dissecting the Origins of Peroxiredoxin Catalysis. Antioxid.Redox Signal., 28, 2018
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2YNG
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![BU of 2yng by Molmil](/molmil-images/mine/2yng) | HIV-1 Reverse Transcriptase in complex with inhibitor GSK560 | Descriptor: | 2-azanyl-N-[[4-bromanyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-4-chloranyl-1H-imidazole-5-carboxamide, MAGNESIUM ION, P51 RT, ... | Authors: | Chong, P, Sebahar, P, Youngman, M, Garrido, D, Zhang, H, Stewart, E.L, Nolte, R.T, Wang, L, Ferris, R.G, Edelstein, M, Weaver, K, Mathis, A, Peat, A. | Deposit date: | 2012-10-14 | Release date: | 2013-01-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Rational Design of Potent Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase. J.Med.Chem., 55, 2012
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4XXF
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![BU of 4xxf by Molmil](/molmil-images/mine/4xxf) | L-fuculose 1-phosphate aldolase from Glaciozyma antarctica PI12 | Descriptor: | Fuculose-1-phosphate aldolase, ZINC ION | Authors: | Jaafar, N.R, Abu Bakar, F.D, Abdul Murad, A.M, Illias, R, Littler, D, Beddoe, T, Rossjohn, J, Mahadi, M.N. | Deposit date: | 2015-01-30 | Release date: | 2015-02-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Crystal structure of fuculose aldolase from the Antarctic psychrophilic yeast Glaciozyma antarctica PI12. Acta Crystallogr.,Sect.F, 72, 2016
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8IF4
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![BU of 8if4 by Molmil](/molmil-images/mine/8if4) | Structure of human alpha-2/delta-1 without mirogabalin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Voltage-dependent calcium channel subunit alpha-2/delta-1 | Authors: | Kozai, D, Numoto, N, Fujiyoshi, Y. | Deposit date: | 2023-02-17 | Release date: | 2023-04-05 | Last modified: | 2023-04-12 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Recognition Mechanism of a Novel Gabapentinoid Drug, Mirogabalin, for Recombinant Human alpha 2 delta 1, a Voltage-Gated Calcium Channel Subunit. J.Mol.Biol., 435, 2023
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2YBU
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![BU of 2ybu by Molmil](/molmil-images/mine/2ybu) | Crystal structure of human acidic chitinase in complex with bisdionin F | Descriptor: | 3,7-DIMETHYL-1-[3-(3-METHYL-2,6-DIOXO-9H-PURIN-1-YL)PROPYL]PURINE-2,6-DIONE, ACIDIC MAMMALIAN CHITINASE, GLYCEROL | Authors: | Sutherland, T.E, Andersen, O.A, Betou, M, Eggleston, I.M, Maizels, R.M, van Aalten, D, Allen, J.E. | Deposit date: | 2011-03-10 | Release date: | 2011-06-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Analyzing airway inflammation with chemical biology: dissection of acidic mammalian chitinase function with a selective drug-like inhibitor. Chem. Biol., 18, 2011
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4PGJ
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3FOD
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3MES
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![BU of 3mes by Molmil](/molmil-images/mine/3mes) | Crystal structure of choline kinase from Cryptosporidium parvum Iowa II, cgd3_2030 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Choline kinase, DECAMETHONIUM ION, ... | Authors: | Qiu, W, Wernimont, A, Hills, T, Lew, J, Artz, J.D, Xiao, T, Allali-Hassani, A, Vedadi, M, Kozieradzki, I, Cossar, D, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Hui, R, Ma, D, Structural Genomics Consortium (SGC) | Deposit date: | 2010-03-31 | Release date: | 2010-04-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal structure of choline kinase from Cryptosporidium parvum Iowa II, cgd3_2030 TO BE PUBLISHED
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2YFN
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![BU of 2yfn by Molmil](/molmil-images/mine/2yfn) | galactosidase domain of alpha-galactosidase-sucrose kinase, AgaSK | Descriptor: | 1,2-ETHANEDIOL, ALPHA-GALACTOSIDASE-SUCROSE KINASE AGASK, GLYCEROL, ... | Authors: | Sulzenbacher, G, Bruel, L, Tison-Cervera, M, Pujol, A, Nicoletti, C, Perrier, J, Galinier, A, Ropartz, D, Fons, M, Pompeo, F, Giardina, T. | Deposit date: | 2011-04-07 | Release date: | 2011-09-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Agask, a Bifunctional Enzyme from the Human Microbiome Coupling Galactosidase and Kinase Activities J.Biol.Chem., 286, 2011
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8IF3
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![BU of 8if3 by Molmil](/molmil-images/mine/8if3) | Structure of human alpha-2/delta-1 with mirogabalin | Descriptor: | 2-[(1R,5S,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kozai, D, Numoto, N, Fujiyoshi, Y. | Deposit date: | 2023-02-17 | Release date: | 2023-04-05 | Last modified: | 2023-04-12 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Recognition Mechanism of a Novel Gabapentinoid Drug, Mirogabalin, for Recombinant Human alpha 2 delta 1, a Voltage-Gated Calcium Channel Subunit. J.Mol.Biol., 435, 2023
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8IHP
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![BU of 8ihp by Molmil](/molmil-images/mine/8ihp) | Structure of Semliki Forest virus VLP in complex with the receptor VLDLR-LA3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Capsid protein, ... | Authors: | Cao, D, Ma, B, Cao, Z, Zhang, X, Xiang, Y. | Deposit date: | 2023-02-23 | Release date: | 2023-04-12 | Last modified: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structure of Semliki Forest virus in complex with its receptor VLDLR. Cell, 186, 2023
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4XM5
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![BU of 4xm5 by Molmil](/molmil-images/mine/4xm5) | C. glabrata Slx1. | Descriptor: | CHLORIDE ION, Structure-specific endonuclease subunit SLX1, ZINC ION | Authors: | Gaur, V, Wyatt, H.D.M, Komorowska, W, Szczepanowski, R.H, de Sanctis, D, Gorecka, K.M, West, S.C, Nowotny, M. | Deposit date: | 2015-01-14 | Release date: | 2015-03-25 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Structural and Mechanistic Analysis of the Slx1-Slx4 Endonuclease. Cell Rep, 10, 2015
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2YML
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![BU of 2yml by Molmil](/molmil-images/mine/2yml) | Native L-haloacid dehalogenase from a Rhodobacteraceae family bacterium | Descriptor: | L-HALOACID DEHALOGENASE | Authors: | Novak, H.R, Sayer, C, Isupov, M.N, Paszkiewicz, K, Gotz, D, Spragg, A.M, Littlechild, J.A. | Deposit date: | 2012-10-09 | Release date: | 2013-05-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Marine Rhodobacteraceae L-Haloacid Dehalogenase Contains a Novel His/Glu Dyad that Could Activate the Catalytic Water. FEBS J., 280, 2013
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2YMQ
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![BU of 2ymq by Molmil](/molmil-images/mine/2ymq) | Chloropropionic acid complex bound L-haloacid dehalogenase from a Rhodobacteraceae family bacterium | Descriptor: | L-HALOACID DEHALOGENASE | Authors: | Novak, H.R, Sayer, C, Isupov, M.N, Paszkiewicz, K, Gotz, D, Spragg, A.M, Littlechild, J.A. | Deposit date: | 2012-10-10 | Release date: | 2013-05-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Marine Rhodobacteraceae L-Haloacid Dehalogenase Contains a Novel His/Glu Dyad that Could Activate the Catalytic Water. FEBS J., 280, 2013
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8QHM
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![BU of 8qhm by Molmil](/molmil-images/mine/8qhm) | DNA mimic Foldamer with sticky ends | Descriptor: | DNA mimic Foldamer | Authors: | Deepak, D, Loos, M, Huc, I. | Deposit date: | 2023-09-08 | Release date: | 2023-10-11 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Enhancing the Features of DNA Mimic Foldamers for Structural Investigations. Chemistry, 30, 2024
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