4A6G
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![BU of 4a6g by Molmil](/molmil-images/mine/4a6g) | N-acyl amino acid racemase from Amycalotopsis sp. Ts-1-60: G291D- F323Y mutant in complex with N-acetyl methionine | Descriptor: | MAGNESIUM ION, N-ACETYLMETHIONINE, N-ACYLAMINO ACID RACEMASE | Authors: | Baxter, S, Royer, S, Grogan, G, Holt-Tiffin, K.E, Taylor, I.N, Fotheringham, I.G, Campopiano, D.J. | Deposit date: | 2011-11-02 | Release date: | 2012-11-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | An Improved Racemase/Acylase Biotransformation for the Preparation of Enantiomerically Pure Amino Acids. J.Am.Chem.Soc., 134, 2012
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4A3P
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![BU of 4a3p by Molmil](/molmil-images/mine/4a3p) | Structure of USP15 DUSP-UBL deletion mutant | Descriptor: | ACETATE ION, IODIDE ION, UBIQUITIN CARBOXYL-TERMINAL HYDROLASE 15 | Authors: | Elliott, P.R, Liu, H, Pastok, M.W, Grossmann, G.J, Rigden, D.J, Clague, M.J, Urbe, S, Barsukov, I.L. | Deposit date: | 2011-10-03 | Release date: | 2011-11-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural Variability of the Ubiquitin Specific Protease Dusp-Ubl Double Domains. FEBS Lett., 585, 2011
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4AFI
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![BU of 4afi by Molmil](/molmil-images/mine/4afi) | Complex between Vamp7 longin domain and fragment of delta-adaptin from AP3 | Descriptor: | AP-3 COMPLEX SUBUNIT DELTA-1, VESICLE-ASSOCIATED MEMBRANE PROTEIN 7, PRASEODYMIUM ION | Authors: | Kent, H.M, Evans, P.R, Luzio, J.P, Peden, A.A, Owen, D.J. | Deposit date: | 2012-01-19 | Release date: | 2012-05-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Basis of the Intracellular Sorting of the Snare Vamp7 by the Ap3 Adaptor Complex Dev.Cell, 22, 2012
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4APY
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![BU of 4apy by Molmil](/molmil-images/mine/4apy) | Ethylene glycol-bound form of P450 CYP125A3 from Mycobacterium smegmatis | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, P450 HEME-THIOLATE PROTEIN, ... | Authors: | Frank, D.J, Garcia Fernandez, E, Kells, P.M, Garcia Lopez, J.L, Podust, L.M, Ortiz de Montellano, P.R. | Deposit date: | 2012-04-09 | Release date: | 2013-02-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Highly Conserved Mycobacterial Cholesterol Catabolic Pathway. Environ.Microbiol., 15, 2013
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4AK5
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![BU of 4ak5 by Molmil](/molmil-images/mine/4ak5) | Native crystal structure of BpGH117 | Descriptor: | 1,2-ETHANEDIOL, ANHYDRO-ALPHA-L-GALACTOSIDASE, CHLORIDE ION, ... | Authors: | Hehemann, J.H, Smyth, L, Yadav, A, Vocadlo, D.J, Boraston, A.B. | Deposit date: | 2012-02-21 | Release date: | 2012-03-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Analysis of Keystone Enzyme in Agar Hydrolysis Provides Insight Into the Degradation (of a Polysaccharide from) Red Seaweeds. J.Biol.Chem., 287, 2012
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4AK6
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![BU of 4ak6 by Molmil](/molmil-images/mine/4ak6) | BpGH117_H302E mutant glycoside hydrolase | Descriptor: | ANHYDRO-ALPHA-L-GALACTOSIDASE, MAGNESIUM ION | Authors: | Hehemann, J.H, Smyth, L, Yadav, A, Vocadlo, D.J, Boraston, A.B. | Deposit date: | 2012-02-21 | Release date: | 2012-03-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Analysis of Keystone Enzyme in Agar Hydrolysis Provides Insight Into the Degradation (of a Polysaccharide from) Red Seaweeds. J.Biol.Chem., 287, 2012
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4AZ6
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![BU of 4az6 by Molmil](/molmil-images/mine/4az6) | Differential inhibition of the tandem GH20 catalytic modules in the pneumococcal exo-beta-D-N-acetylglucosaminidase, StrH | Descriptor: | 1,2-ETHANEDIOL, 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, BETA-N-ACETYLHEXOSAMINIDASE, ... | Authors: | Pluvinage, B, Stubbs, K.A, Vocadlo, D.J, Boraston, A.B. | Deposit date: | 2012-06-23 | Release date: | 2013-07-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Inhibition of the Family 20 Glycoside Hydrolase Catalytic Modules in the Streptococcus Pneumoniae Exo-Beta-D-N-Acetylglucosaminidase, Strh. Org.Biomol.Chem., 11, 2013
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2AKA
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![BU of 2aka by Molmil](/molmil-images/mine/2aka) | Structure of the nucleotide-free myosin II motor domain from Dictyostelium discoideum fused to the GTPase domain of dynamin 1 from Rattus norvegicus | Descriptor: | Dynamin-1, LINKER, myosin II heavy chain | Authors: | Reubold, T.F, Eschenburg, S, Becker, A, Leonard, M, Schmid, S.L, Vallee, R.B, Kull, F.J, Manstein, D.J. | Deposit date: | 2005-08-03 | Release date: | 2005-08-23 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the GTPase domain of rat dynamin 1. Proc.Natl.Acad.Sci.Usa, 102, 2005
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2ATJ
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![BU of 2atj by Molmil](/molmil-images/mine/2atj) | RECOMBINANT HORSERADISH PEROXIDASE COMPLEX WITH BENZHYDROXAMIC ACID | Descriptor: | BENZHYDROXAMIC ACID, CALCIUM ION, PEROXIDASE C1A, ... | Authors: | Henriksen, A, Schuller, D.J, Gajhede, M. | Deposit date: | 1997-08-19 | Release date: | 1998-01-28 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural interactions between horseradish peroxidase C and the substrate benzhydroxamic acid determined by X-ray crystallography. Biochemistry, 37, 1998
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6RKD
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![BU of 6rkd by Molmil](/molmil-images/mine/6rkd) | Molybdenum storage protein under turnover conditions | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, MO(VI)(=O)(OH)2 CLUSTER, ... | Authors: | Bruenle, S, Mills, D.J, Vonck, J, Ermler, U. | Deposit date: | 2019-04-30 | Release date: | 2019-12-18 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Molybdate pumping into the molybdenum storage protein via an ATP-powered piercing mechanism. Proc.Natl.Acad.Sci.USA, 2019
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6RVX
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![BU of 6rvx by Molmil](/molmil-images/mine/6rvx) | |
6RVY
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![BU of 6rvy by Molmil](/molmil-images/mine/6rvy) | |
6RH5
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![BU of 6rh5 by Molmil](/molmil-images/mine/6rh5) | Solution structure and 1H, 13C and 15N chemical shift assignments for NECAP1 PHear domain | Descriptor: | Adaptin ear-binding coat-associated protein 1 | Authors: | Owen, D.J, Neuhaus, D, Yang, J.-C, Herrmann, T. | Deposit date: | 2019-04-18 | Release date: | 2019-09-04 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Temporal Ordering in Endocytic Clathrin-Coated Vesicle Formation via AP2 Phosphorylation. Dev.Cell, 50, 2019
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3R02
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![BU of 3r02 by Molmil](/molmil-images/mine/3r02) | The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors | Descriptor: | 7-[(cis-4-aminocyclohexyl)amino]-5-bromo-1-benzofuran-2-carboxylic acid, IMIDAZOLE, Proto-oncogene serine/threonine-protein kinase pim-1 | Authors: | Xiang, Y, Hirth, B, Asmussen, G, Biemann, H.-P, Good, A, Fitzgerald, M, Gladysheva, T, Jancsics, K, Liu, J, Metz, M, Papoulis, A, Skerlj, R, Stepp, D.J, Wei, R.R. | Deposit date: | 2011-03-07 | Release date: | 2011-05-11 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
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4HFR
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![BU of 4hfr by Molmil](/molmil-images/mine/4hfr) | Human 11beta-Hydroxysteroid Dehydrogenase Type 1 in complex with an orally bioavailable acidic inhibitor AZD4017. | Descriptor: | Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {(3S)-1-[5-(cyclohexylcarbamoyl)-6-(propylsulfanyl)pyridin-2-yl]piperidin-3-yl}acetic acid | Authors: | Ogg, D.J, Gerhardt, S, Hargreaves, D. | Deposit date: | 2012-10-05 | Release date: | 2012-10-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Discovery of a Potent, Selective, and Orally Bioavailable Acidic 11 -Hydroxysteroid Dehydrogenase Type 1 (11 -HSD1) Inhibitor: Discovery of 2-[(3S)-1-[5-(Cyclohexylcarbamoyl)-6-propylsulfanylpyridin-2-yl]-3-piperidyl]acetic Acid (AZD4017) J.Med.Chem., 55, 2012
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6T1T
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4PE7
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![BU of 4pe7 by Molmil](/molmil-images/mine/4pe7) | Crystal Structure of Calcium-loaded S100B bound to SC1982 | Descriptor: | (1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one, CALCIUM ION, Protein S100-B | Authors: | Cavalier, M.C, Pierce, A.D, Wilder, P.T, Neau, D, Toth, E.A, Weber, D.J. | Deposit date: | 2014-04-22 | Release date: | 2014-10-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.652 Å) | Cite: | Covalent Small Molecule Inhibitors of Ca(2+)-Bound S100B. Biochemistry, 53, 2014
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6TQF
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![BU of 6tqf by Molmil](/molmil-images/mine/6tqf) | The structure of ABC transporter Rv1819c in AMP-PNP bound state | Descriptor: | ABC transporter ATP-binding protein/permease, DODECYL-BETA-D-MALTOSIDE, MAGNESIUM ION, ... | Authors: | Rempel, S, Gati, C, Slotboom, D.J, Guskov, A. | Deposit date: | 2019-12-16 | Release date: | 2020-04-01 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | A mycobacterial ABC transporter mediates the uptake of hydrophilic compounds. Nature, 580, 2020
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4PE1
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![BU of 4pe1 by Molmil](/molmil-images/mine/4pe1) | Crystal Structure of Calcium-loaded S100B bound to SC124 | Descriptor: | CALCIUM ION, DIETHYLCARBAMODITHIOIC ACID, Protein S100-B | Authors: | Cavalier, M.C, Pierce, A.D, Wilder, P.T, Neau, D, Toth, E.A, Weber, D.J. | Deposit date: | 2014-04-22 | Release date: | 2014-10-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.576 Å) | Cite: | Covalent Small Molecule Inhibitors of Ca(2+)-Bound S100B. Biochemistry, 53, 2014
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4PE0
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![BU of 4pe0 by Molmil](/molmil-images/mine/4pe0) | Crystal Structure of Calcium-loaded S100B bound to SBi4434 | Descriptor: | 2-[(2-hydroxyethyl)sulfanyl]naphthalene-1,4-dione, CALCIUM ION, Protein S100-B | Authors: | Cavalier, M.C, Pierce, P.D, Wilder, P.T, Neau, D, Toth, E.A, Weber, D.J. | Deposit date: | 2014-04-22 | Release date: | 2014-11-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Covalent Small Molecule Inhibitors of Ca(2+)-Bound S100B. Biochemistry, 53, 2014
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6THD
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![BU of 6thd by Molmil](/molmil-images/mine/6thd) | Multiple Genomic RNA-Coat Protein Contacts Play Vital Roles in the Assembly of Infectious Enterovirus-E | Descriptor: | Genome polyprotein, MYRISTIC ACID, SULFATE ION | Authors: | Chandler-Bostock, R, Mata, C.P, Bingham, R, Dykeman, E.J, Meng, B, Tuthill, T.J, Rowlands, D.J, Ranson, N.A, Twarock, R, Stockley, P.G. | Deposit date: | 2019-11-19 | Release date: | 2020-12-09 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.23 Å) | Cite: | Assembly of infectious enteroviruses depends on multiple, conserved genomic RNA-coat protein contacts. Plos Pathog., 16, 2020
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6T1U
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![BU of 6t1u by Molmil](/molmil-images/mine/6t1u) | Cytochrome P450 reductase from Candida tropicalis | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADPH--cytochrome P450 reductase | Authors: | Opperman, D.J, Sewell, B.T. | Deposit date: | 2019-10-06 | Release date: | 2020-01-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Biochemical and structural insights into the cytochrome P450 reductase from Candida tropicalis. Sci Rep, 9, 2019
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6TL0
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![BU of 6tl0 by Molmil](/molmil-images/mine/6tl0) | Solution structure and 1H, 13C and 15N chemical shift assignments for the complex of VPS29 with VARP 687-747 | Descriptor: | Ankyrin repeat domain-containing protein 27, Vacuolar protein sorting-associated protein 29, ZINC ION | Authors: | Owen, D.J, Neuhaus, D, Yang, J.-C, Crawley-Snowdon, H. | Deposit date: | 2019-11-29 | Release date: | 2020-10-21 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Mechanism and evolution of the Zn-fingernail required for interaction of VARP with VPS29. Nat Commun, 11, 2020
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6TQE
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![BU of 6tqe by Molmil](/molmil-images/mine/6tqe) | The structure of ABC transporter Rv1819c without addition of substrate | Descriptor: | ABC transporter ATP-binding protein/permease, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION | Authors: | Rempel, S, Gati, C, Slotboom, D.J, Guskov, A. | Deposit date: | 2019-12-16 | Release date: | 2020-04-01 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | A mycobacterial ABC transporter mediates the uptake of hydrophilic compounds. Nature, 580, 2020
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6THN
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![BU of 6thn by Molmil](/molmil-images/mine/6thn) | Multiple Genomic RNA-Coat Protein Contacts Play Vital Roles in the Assembly of Infectious Enterovirus-E symmetry expansion+2fold focused classification | Descriptor: | Genome polyprotein, MYRISTIC ACID, RNA Peak 9 Bernoulli Plot, ... | Authors: | Chandler-Bostock, R, Mata, C.P, Bingham, R, Dykeman, E.J, Meng, B, Tuthill, T.J, Rowlands, D.J, Ranson, N.A, Twarock, R, Stockley, P.G. | Deposit date: | 2019-11-20 | Release date: | 2020-12-09 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Assembly of infectious enteroviruses depends on multiple, conserved genomic RNA-coat protein contacts. Plos Pathog., 16, 2020
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