2BJH
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![BU of 2bjh by Molmil](/molmil-images/mine/2bjh) | Crystal Structure Of S133A AnFaeA-ferulic acid complex | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, ... | Authors: | Faulds, C.B, Molina, R, Gonzalez, R, Husband, F, Juge, N, Sanz-Aparicio, J, Hermoso, J.A. | Deposit date: | 2005-02-02 | Release date: | 2005-09-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Probing the Determinants of Substrate Specificity of a Feruloyl Esterase, Anfaea, from Aspergillus Niger FEBS J., 272, 2005
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8CLN
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![BU of 8cln by Molmil](/molmil-images/mine/8cln) | Zearalenone lactonase from Streptomyces coelicoflavus, SeMet derivative for SAD phasing | Descriptor: | Hydrolase | Authors: | Puehringer, D, Grishkovskaya, I, Mlynek, G, Kostan, J. | Deposit date: | 2023-02-17 | Release date: | 2024-02-21 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Bacterial Lactonases ZenA with Noncanonical Structural Features Hydrolyze the Mycotoxin Zearalenone. Acs Catalysis, 14, 2024
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6EJU
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1AYR
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![BU of 1ayr by Molmil](/molmil-images/mine/1ayr) | ARRESTIN FROM BOVINE ROD OUTER SEGMENTS | Descriptor: | ARRESTIN | Authors: | Granzin, J, Wilden, U, Choe, H.-W, Labahn, J, Krafft, B, Bueldt, G. | Deposit date: | 1997-11-10 | Release date: | 1998-11-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | X-ray crystal structure of arrestin from bovine rod outer segments. Nature, 391, 1998
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4BKE
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![BU of 4bke by Molmil](/molmil-images/mine/4bke) | Recombinant human serum albumin with palmitic acid. Synthetic cationic antimicrobial peptides bind with their hydrophobic parts to drug site II of human serum albumin | Descriptor: | PALMITIC ACID, SERUM ALBUMIN | Authors: | Sivertsen, A, Isaksson, J, Leiros, H.-K.S, Svenson, J, Svendsen, J.-S, Brandsdal, B.-O. | Deposit date: | 2013-04-24 | Release date: | 2014-02-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Synthetic Cationic Antimicrobial Peptides Bind with Their Hydrophobic Parts to Drug Site II of Human Serum Albumin. Bmc Struct.Biol., 14, 2014
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6EON
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![BU of 6eon by Molmil](/molmil-images/mine/6eon) | Galactanase BT0290 | Descriptor: | Beta-galactosidase, CALCIUM ION, alpha-D-galactopyranose | Authors: | Basle, A, Munoz, J, Gilbert, H. | Deposit date: | 2017-10-10 | Release date: | 2017-11-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A surface endogalactanase in Bacteroides thetaiotaomicron confers keystone status for arabinogalactan degradation. Nat Microbiol, 3, 2018
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2C6P
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![BU of 2c6p by Molmil](/molmil-images/mine/2c6p) | Membrane-bound glutamate carboxypeptidase II (GCPII) in complex with phosphate anion | 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: | Mesters, J.R, Barinka, C, Li, W, Tsukamoto, T, Majer, P, Slusher, B.S, Konvalinka, J, Hilgenfeld, R. | Deposit date: | 2005-11-11 | Release date: | 2006-02-15 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Structure of Glutamate Carboxypeptidase II, a Drug Target in Neuronal Damage and Prostate Cancer. Embo J., 25, 2006
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2IEL
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![BU of 2iel by Molmil](/molmil-images/mine/2iel) | CRYSTAL STRUCTURE OF TT0030 from Thermus Thermophilus | Descriptor: | Hypothetical Protein TT0030 | Authors: | Zhu, J, Huang, J, Stepanyuk, G, Chen, L, Chang, J, Zhao, M, Xu, H, Liu, Z.J, Rose, J.P, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2006-09-19 | Release date: | 2006-11-14 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | CRYSTAL STRUCTURE OF TT0030 from Thermus Thermophilus AT 1.6 ANGSTROMS RESOLUTION To be Published
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2CEL
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![BU of 2cel by Molmil](/molmil-images/mine/2cel) | ACTIVE-SITE MUTANT E212Q DETERMINED AT PH 6.0 WITH NO LIGAND BOUND IN THE ACTIVE SITE | Descriptor: | 1,4-BETA-D-GLUCAN CELLOBIOHYDROLASE I, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION | Authors: | Divne, C, Stahlberg, J, Jones, T.A. | Deposit date: | 1996-08-24 | Release date: | 1997-03-12 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Activity studies and crystal structures of catalytically deficient mutants of cellobiohydrolase I from Trichoderma reesei. J.Mol.Biol., 264, 1996
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3CID
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![BU of 3cid by Molmil](/molmil-images/mine/3cid) | Structure of BACE Bound to SCH726222 | Descriptor: | Beta-secretase 1, D(-)-TARTARIC ACID, N'-[(1S,2S)-2-[(4S)-1-benzyl-5-oxoimidazolidin-4-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide | Authors: | Strickland, C, Cumming, J. | Deposit date: | 2008-03-11 | Release date: | 2008-06-10 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Rational design of novel, potent piperazinone and imidazolidinone BACE1 inhibitors Bioorg.Med.Chem.Lett., 18, 2008
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2CII
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![BU of 2cii by Molmil](/molmil-images/mine/2cii) | The crystal structure of H-2Db complexed with a partial peptide epitope suggests an MHC Class I assembly-intermediate | Descriptor: | BETA-2-MICROGLOBULIN, GLYCEROL, H-2 CLASS I HISTOCOMPATIBILITY ANTIGEN D-B ALPHA CHAIN, ... | Authors: | Glithero, A, Tormo, J, Doering, K, Kojima, M, Jones, E.Y, Elliott, T. | Deposit date: | 2006-03-21 | Release date: | 2006-03-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | The crystal structure of H-2D(b) complexed with a partial peptide epitope suggests a major histocompatibility complex class I assembly intermediate. J. Biol. Chem., 281, 2006
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8C8H
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2DDU
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![BU of 2ddu by Molmil](/molmil-images/mine/2ddu) | Crystal structure of the third repeat domain of reelin | Descriptor: | CALCIUM ION, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Nogi, T, Yasui, N, Takagi, J. | Deposit date: | 2006-02-03 | Release date: | 2006-09-26 | Last modified: | 2011-10-05 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure of a signaling-competent reelin fragment revealed by X-ray crystallography and electron tomography Embo J., 25, 2006
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3CIB
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![BU of 3cib by Molmil](/molmil-images/mine/3cib) | Structure of BACE Bound to SCH727596 | Descriptor: | Beta-secretase 1, D(-)-TARTARIC ACID, N'-[(1S,2R)-2-[(2R,4S)-4-benzylpiperidin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide | Authors: | Strickland, C, Cumming, J. | Deposit date: | 2008-03-11 | Release date: | 2008-06-10 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Rational design of novel, potent piperazinone and imidazolidinone BACE1 inhibitors Bioorg.Med.Chem.Lett., 18, 2008
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6YEJ
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![BU of 6yej by Molmil](/molmil-images/mine/6yej) | Cryo-EM structure of the Full-length disease type human Huntingtin | Descriptor: | Huntingtin | Authors: | Tame, G, Jung, T, Dal Perraro, M, Hebert, H, Song, J. | Deposit date: | 2020-03-24 | Release date: | 2020-12-16 | Method: | ELECTRON MICROSCOPY (18.200001 Å) | Cite: | The Polyglutamine Expansion at the N-Terminal of Huntingtin Protein Modulates the Dynamic Configuration and Phosphorylation of the C-Terminal HEAT Domain. Structure, 28, 2020
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2M8V
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![BU of 2m8v by Molmil](/molmil-images/mine/2m8v) | Solution Structure and Activity Study of Bovicin HJ50, a Particular Type AII Lantibiotic | Descriptor: | BovA | Authors: | Zhang, J, Feng, Y, Wang, J, Zhong, J. | Deposit date: | 2013-05-29 | Release date: | 2014-05-21 | Last modified: | 2024-07-10 | Method: | SOLUTION NMR | Cite: | Type AII lantibiotic bovicin HJ50 with a rare disulfide bond: structure, structure-activity relationships and mode of action. Biochem.J., 461, 2014
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2DLJ
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4LL9
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![BU of 4ll9 by Molmil](/molmil-images/mine/4ll9) | Crystal structure of D3D4 domain of the LILRB1 molecule | Descriptor: | IODIDE ION, Leukocyte immunoglobulin-like receptor subfamily B member 1 | Authors: | Nam, G, Shi, Y, Ryu, M, Wang, Q, Song, H, Liu, J, Yan, J, Qi, J, Gao, G.F. | Deposit date: | 2013-07-09 | Release date: | 2013-09-11 | Last modified: | 2013-11-06 | Method: | X-RAY DIFFRACTION (2.686 Å) | Cite: | Crystal structures of the two membrane-proximal Ig-like domains (D3D4) of LILRB1/B2: alternative models for their involvement in peptide-HLA binding Protein Cell, 4, 2013
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8CLO
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![BU of 8clo by Molmil](/molmil-images/mine/8clo) | Zearalenone lactonase from Streptomyces coelicoflavus | Descriptor: | 1,2-ETHANEDIOL, Hydrolase | Authors: | Puehringer, D, Grishkovskaya, I, Mlynek, G, Kostan, J. | Deposit date: | 2023-02-17 | Release date: | 2024-02-21 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Bacterial Lactonases ZenA with Noncanonical Structural Features Hydrolyze the Mycotoxin Zearalenone. Acs Catalysis, 14, 2024
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7ULI
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![BU of 7uli by Molmil](/molmil-images/mine/7uli) | Apo HMG-CoA Reductase from Arabidopsis thaliana (HMG1) | Descriptor: | 3-hydroxy-3-methylglutaryl-coenzyme A reductase 1 | Authors: | Haywood, J, Bond, C.S. | Deposit date: | 2022-04-05 | Release date: | 2022-05-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A fungal tolerance trait and selective inhibitors proffer HMG-CoA reductase as a herbicide mode-of-action. Nat Commun, 13, 2022
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1XFX
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![BU of 1xfx by Molmil](/molmil-images/mine/1xfx) | Crystal structure of anthrax edema factor (EF) in complex with calmodulin in the presence of 10 millimolar exogenously added calcium chloride | Descriptor: | CALCIUM ION, Calmodulin 2, Calmodulin-sensitive adenylate cyclase, ... | Authors: | Shen, Y, Zhukovskaya, N.L, Guo, Q, Florian, J, Tang, W.J. | Deposit date: | 2004-09-15 | Release date: | 2005-05-03 | Last modified: | 2017-12-20 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Calcium-independent calmodulin binding and two-metal-ion catalytic mechanism of anthrax edema factor. EMBO J., 24, 2005
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3MSL
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2DM5
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![BU of 2dm5 by Molmil](/molmil-images/mine/2dm5) | Thermodynamic Penalty Arising From Burial of a Ligand Polar Group Within a Hydrophobic Pocket of a Protein Receptor | Descriptor: | CADMIUM ION, Major Urinary Protein, OCTANE-1,8-DIOL | Authors: | Barratt, E, Bronowska, A, Vondrasek, J, Bingham, R, Phillips, S, Homans, S.W. | Deposit date: | 2006-04-20 | Release date: | 2006-10-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Thermodynamic penalty arising from burial of a ligand polar group within a hydrophobic pocket of a protein receptor J.Mol.Biol., 362, 2006
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1TQX
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![BU of 1tqx by Molmil](/molmil-images/mine/1tqx) | Crystal Structure of Pfal009167 A Putative D-Ribulose 5-Phosphate 3-Epimerase from P.falciparum | Descriptor: | D-ribulose-5-phosphate 3-epimerase, putative, SULFATE ION, ... | Authors: | Caruthers, J, Bosch, J, Hol, W.G.J, Structural Genomics of Pathogenic Protozoa Consortium (SGPP) | Deposit date: | 2004-06-18 | Release date: | 2004-12-21 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of a ribulose 5-phosphate 3-epimerase from Plasmodium falciparum. Proteins, 62, 2006
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6EZH
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![BU of 6ezh by Molmil](/molmil-images/mine/6ezh) | Torpedo californica AChE in complex with indolic multi-target directed ligand | Descriptor: | 1-(7-chloranyl-4-methoxy-1~{H}-indol-5-yl)-3-[1-(cyclohexylmethyl)piperidin-4-yl]propan-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase | Authors: | Santoni, G, Lalut, J, Karila, D, Lecoutey, C, Davis, A, Nachon, F, Sillman, I, Sussman, J, Weik, M, Maurice, T, Dallemagne, P, Rochais, C. | Deposit date: | 2017-11-15 | Release date: | 2018-11-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Novel multitarget-directed ligands targeting acetylcholinesterase and sigma1receptors as lead compounds for treatment of Alzheimer's disease: Synthesis, evaluation, and structural characterization of their complexes with acetylcholinesterase. Eur J Med Chem, 162, 2018
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