5CLP
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![BU of 5clp by Molmil](/molmil-images/mine/5clp) | Crystal Structure of CK2alpha with 3,4-dichlorophenethylamine bound | Descriptor: | 2-(3,4-dichlorophenyl)ethanamine, ACETATE ION, Casein kinase II subunit alpha | Authors: | Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M. | Deposit date: | 2015-07-16 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.684 Å) | Cite: | Specific inhibition of CK2 alpha from an anchor outside the active site. Chem Sci, 7, 2016
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4LB6
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1JEZ
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![BU of 1jez by Molmil](/molmil-images/mine/1jez) | THE STRUCTURE OF XYLOSE REDUCTASE, A DIMERIC ALDO-KETO REDUCTASE FROM CANDIDA TENUIS | Descriptor: | XYLOSE REDUCTASE | Authors: | Kavanagh, K.L, Klimacek, M, Nidetzky, B, Wilson, D.K. | Deposit date: | 2001-06-19 | Release date: | 2002-07-05 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The structure of apo and holo forms of xylose reductase, a dimeric aldo-keto reductase from Candida tenuis. Biochemistry, 41, 2002
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4L36
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![BU of 4l36 by Molmil](/molmil-images/mine/4l36) | Crystal structure of the cytochrome P450 enzyme TxtE | Descriptor: | HEME B/C, IMIDAZOLE, Putative P450-like protein | Authors: | Yu, F, Li, M.J, Xu, C.Y, Wang, Z.J, Zhou, H, Yang, M, Chen, Y.X, Tang, L, He, J.H. | Deposit date: | 2013-06-05 | Release date: | 2013-12-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.104 Å) | Cite: | Structural Insights into the Mechanism for Recognizing Substrate of the Cytochrome P450 Enzyme TxtE. Plos One, 8, 2013
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8AKO
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![BU of 8ako by Molmil](/molmil-images/mine/8ako) | Structure of EspB-EspK complex: the non-identical twin of the PE-PPE-EspG secretion mechanism. | Descriptor: | ESX-1 secretion-associated protein EspB, ESX-1 secretion-associated protein EspK | Authors: | Gijsbers, A, Eymery, M, Menart, I, Vinciauskaite, V, Gao, Y, Siliqi, D, Peters, P, Mccarthy, A, Ravelli, R.B.G. | Deposit date: | 2022-07-30 | Release date: | 2022-12-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.293 Å) | Cite: | The crystal structure of the EspB-EspK virulence factor-chaperone complex suggests an additional type VII secretion mechanism in Mycobacterium tuberculosis. J.Biol.Chem., 299, 2022
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3NIU
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![BU of 3niu by Molmil](/molmil-images/mine/3niu) | Crystal structure of the complex of dimeric goat lactoperoxidase with diethylene glycol at 2.9 A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Vikram, G, Singh, R.P, Singh, A.K, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2010-06-16 | Release date: | 2010-07-14 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Crystal structure of the complex of dimeric goat lactoperoxidase with diethylene glycol at 2.9 A resolution To be Published
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3NJC
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![BU of 3njc by Molmil](/molmil-images/mine/3njc) | Crystal structure of the yslB protein from Bacillus subtilis. Northeast Structural Genomics Consortium Target SR460. | Descriptor: | YSLB protein | Authors: | Vorobiev, S, Abashidze, M, Seetharaman, J, Wang, D, Cunningham, K, Ma, L.-C, Owens, L, Fang, Y, Xiao, R, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2010-06-17 | Release date: | 2010-09-22 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.693 Å) | Cite: | Crystal structure of the yslB protein from Bacillus subtilis. To be Published
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3NJL
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![BU of 3njl by Molmil](/molmil-images/mine/3njl) | D116A mutant of SO1698 protein, an aspartic peptidase from Shewanella oneidensis, at pH7.5 | Descriptor: | MAGNESIUM ION, Peptidase | Authors: | Osipiuk, J, Mulligan, R, Bargassa, M, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2010-06-17 | Release date: | 2010-07-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Characterization of member of DUF1888 protein family, self-cleaving and self-assembling endopeptidase. J.Biol.Chem., 287, 2012
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6HKM
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![BU of 6hkm by Molmil](/molmil-images/mine/6hkm) | Crystal structure of Compound 1 with ERK5 | Descriptor: | Mitogen-activated protein kinase 7, [4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-[4-(trifluoromethyloxy)phenyl]methanone | Authors: | Nguyen, D, Lemos, C, Wortmann, L, Eis, K, Holton, S.J, Boemer, U, Lechner, C, Prechtl, S, Suelze, D, Siegel, F, Prinz, F, Lesche, R, Nicke, B, Mumberg, D, Bauser, M, Haegebarth, A. | Deposit date: | 2018-09-07 | Release date: | 2019-02-27 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Discovery and Characterization of the Potent and Highly Selective (Piperidin-4-yl)pyrido[3,2- d]pyrimidine Based in Vitro Probe BAY-885 for the Kinase ERK5. J. Med. Chem., 62, 2019
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6HL3
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![BU of 6hl3 by Molmil](/molmil-images/mine/6hl3) | wild-type NuoEF from Aquifex aeolicus - oxidized form bound to NAD+ | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Gerhardt, S, Friedrich, T, Einsle, O, Gnandt, E, Schulte, M, Fiegen, D. | Deposit date: | 2018-09-10 | Release date: | 2019-06-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I. Nat Commun, 10, 2019
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6G3M
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![BU of 6g3m by Molmil](/molmil-images/mine/6g3m) | Phosphotriesterase PTE_C23M_4 | Descriptor: | 1-ethyl-1-methyl-cyclohexane, CHLORIDE ION, FORMIC ACID, ... | Authors: | Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J. | Deposit date: | 2018-03-26 | Release date: | 2019-04-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.665 Å) | Cite: | Phosphotriesterase
PTE_C23M_4 To Be Published
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6G4N
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![BU of 6g4n by Molmil](/molmil-images/mine/6g4n) | Torpedo californica acetylcholinesterase bound to uncharged hybrid reactivator 2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-[4-[(7-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(oxidanylamino)methyl]pyridin-3-ol, Acetylcholinesterase, ... | Authors: | Santoni, G, De la Mora, E, de Souza, J, Silman, I, Sussman, J, Baati, R, Weik, M, Nachon, F. | Deposit date: | 2018-03-28 | Release date: | 2018-08-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure-Based Optimization of Nonquaternary Reactivators of Acetylcholinesterase Inhibited by Organophosphorus Nerve Agents. J. Med. Chem., 61, 2018
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6HLM
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![BU of 6hlm by Molmil](/molmil-images/mine/6hlm) | Variant G129D of NuoEF from Aquifex aeolicus bound to NAD+ | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | Authors: | Gerhardt, S, Friedrich, T, Einsle, O, Gnandt, E, Schulte, M, Fiegen, D. | Deposit date: | 2018-09-11 | Release date: | 2019-06-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I. Nat Commun, 10, 2019
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5CI8
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![BU of 5ci8 by Molmil](/molmil-images/mine/5ci8) | Crystal structure of human Tob in complex with inhibitor fragment 1 | Descriptor: | Protein Tob1, pyrrolo[1,2-a]quinoxalin-4(5H)-one | Authors: | Bai, Y, Tashiro, S, Nagatoishi, S, Suzuki, T, Tsumoto, K, Bartlam, M, Yamamoto, T. | Deposit date: | 2015-07-11 | Release date: | 2015-11-18 | Last modified: | 2015-12-09 | Method: | X-RAY DIFFRACTION (2.328 Å) | Cite: | Structural basis for inhibition of the Tob-CNOT7 interaction by a fragment screening approach Protein Cell, 6, 2015
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2PBW
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![BU of 2pbw by Molmil](/molmil-images/mine/2pbw) | Crystal Structure of the Ligand-Binding Core of iGluR5 in Complex with the Partial agonist Domoic Acid at 2.5 A Resolution | Descriptor: | (2S,3S,4S)-2-CARBOXY-4-[(1Z,3E,5R)-5-CARBOXY-1-METHYL-1,3-HEXADIENYL]-3-PYRROLIDINEACETIC ACID, Glutamate receptor, ionotropic kainate 1 | Authors: | Hald, H, Naur, P, Gajhede, M, Kastrup, J.S. | Deposit date: | 2007-03-29 | Release date: | 2007-07-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Partial agonism and antagonism of the ionotropic glutamate receptor iGLuR5: structures of the ligand-binding core in complex with domoic acid and 2-amino-3-[5-tert-butyl-3-(phosphonomethoxy)-4-isoxazolyl]propionic acid. J.Biol.Chem., 282, 2007
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1JCH
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![BU of 1jch by Molmil](/molmil-images/mine/1jch) | Crystal Structure of Colicin E3 in Complex with its Immunity Protein | Descriptor: | CITRIC ACID, COLICIN E3, COLICIN E3 IMMUNITY PROTEIN, ... | Authors: | Soelaiman, S, Jakes, K, Wu, N, Li, C, Shoham, M. | Deposit date: | 2001-06-09 | Release date: | 2001-11-30 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.02 Å) | Cite: | Crystal structure of colicin E3: implications for cell entry and ribosome inactivation. Mol.Cell, 8, 2001
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6G4L
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![BU of 6g4l by Molmil](/molmil-images/mine/6g4l) | 17beta-hydroxysteroid Dehydrogenase Type 14 Mutant Y253A in Complex With a Non-steroidal Inhibitor | Descriptor: | 17-beta-hydroxysteroid dehydrogenase 14, DIMETHYL SULFOXIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Badran, M, Klebe, G, Heine, A, Marchais-Oberwinkler, S. | Deposit date: | 2018-03-27 | Release date: | 2019-04-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.444 Å) | Cite: | Mutational and structural studies uncover crucial amino acids determining activity and stability of 17beta-HSD14 J.Steroid Biochem.Mol.Biol., 2019
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2PCM
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![BU of 2pcm by Molmil](/molmil-images/mine/2pcm) | Crystal structure of PH0725 from Pyrococcus horikoshii OT3 | Descriptor: | DIPHTHINE SYNTHASE, GLYCEROL, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Yamamoto, H, Taketa, M, Tanaka, Y, Matsuura, Y, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-03-30 | Release date: | 2007-10-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of PH0725 from Pyrococcus horikoshii OT3 To be Published
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6G4W
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![BU of 6g4w by Molmil](/molmil-images/mine/6g4w) | Cryo-EM structure of a late human pre-40S ribosomal subunit - State A | Descriptor: | 18S ribosomal RNA, 40S ribosomal protein S11, 40S ribosomal protein S13, ... | Authors: | Ameismeier, M, Cheng, J, Berninghausen, O, Beckmann, R. | Deposit date: | 2018-03-28 | Release date: | 2018-06-06 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Visualizing late states of human 40S ribosomal subunit maturation. Nature, 558, 2018
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6G85
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![BU of 6g85 by Molmil](/molmil-images/mine/6g85) | Structure of Cdc14 bound to CBK1 PxL motif | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CBK1, ... | Authors: | Mouilleron, S, Kataria, M, Uhlmann, F. | Deposit date: | 2018-04-07 | Release date: | 2018-10-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.528 Å) | Cite: | A PxL motif promotes timely cell cycle substrate dephosphorylation by the Cdc14 phosphatase. Nat. Struct. Mol. Biol., 25, 2018
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6G8N
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![BU of 6g8n by Molmil](/molmil-images/mine/6g8n) | Yeast 20S proteasome in complex with Cystargolide B Derivative 2 | Descriptor: | (2~{S},3~{S})-3-methyl-2-[(1~{R})-2-[[(2~{S})-3-methyl-1-[[(2~{S})-3-methyl-1-oxidanylidene-1-phenylmethoxy-butan-2-yl] amino]-1-oxidanylidene-butan-2-yl]amino]-1-oxidanyl-2-oxidanylidene-ethyl]pentanoic acid, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Groll, M, Tello-Aburto, R. | Deposit date: | 2018-04-09 | Release date: | 2018-09-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Design, synthesis, and evaluation of cystargolide-based beta-lactones as potent proteasome inhibitors. Eur J Med Chem, 157, 2018
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5CE9
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![BU of 5ce9 by Molmil](/molmil-images/mine/5ce9) | structure of tyrosinase from walnut (Juglans regia) | Descriptor: | COPPER (II) ION, OXYGEN ATOM, Polyphenol oxidase, ... | Authors: | Bijelic, A, Pretzler, M, Zekiri, F, Rompel, A. | Deposit date: | 2015-07-06 | Release date: | 2015-10-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Structure of a Plant Tyrosinase from Walnut Leaves Reveals the Importance of """"Substrate-Guiding Residues"""" for Enzymatic Specificity. Angew.Chem.Int.Ed.Engl., 54, 2015
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1JB4
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![BU of 1jb4 by Molmil](/molmil-images/mine/1jb4) | CRYSTAL STRUCTURE OF NTF2 M102E MUTANT | Descriptor: | NUCLEAR TRANSPORT FACTOR 2 | Authors: | Chaillan-Huntington, C, Butler, P.J, Huntington, J.A, Akin, D, Feldherr, C, Stewart, M. | Deposit date: | 2001-06-01 | Release date: | 2002-03-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | NTF2 monomer-dimer equilibrium. J.Mol.Biol., 314, 2001
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4KWH
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![BU of 4kwh by Molmil](/molmil-images/mine/4kwh) | The crystal structure of angucycline C-6 ketoreductase LanV with bound NADP | Descriptor: | ACETIC ACID, DI(HYDROXYETHYL)ETHER, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Paananen, P, Patrikainen, P, Kallio, P, Mantsala, P, Niemi, J, Niiranen, L, Metsa-Ketela, M. | Deposit date: | 2013-05-24 | Release date: | 2013-07-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and functional analysis of angucycline C-6 ketoreductase LanV involved in landomycin biosynthesis. Biochemistry, 52, 2013
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5CES
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