8SPM
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![BU of 8spm by Molmil](/molmil-images/mine/8spm) | Crystal structure of NikA in complex Ni-AMA | Descriptor: | Aspergillomarasmine A, NICKEL (II) ION, Nickel ABC transporter, ... | Authors: | Sychantha, D, Prehna, G, Wright, G.D. | Deposit date: | 2023-05-03 | Release date: | 2024-04-10 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Targeting bacterial nickel transport with aspergillomarasmine A suppresses virulence-associated Ni-dependent enzymes. Nat Commun, 15, 2024
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4B77
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![BU of 4b77 by Molmil](/molmil-images/mine/4b77) | Aminoimidazoles as BACE-1 Inhibitors: From De Novo Design to Ab- lowering in Brain | Descriptor: | (5R)-5-(4-methoxyphenyl)-5-(3-pyrimidin-5-ylphenyl)-3,4-dihydropyrrol-2-amine, BETA-SECRETASE 1, DIMETHYL SULFOXIDE | Authors: | Gravenfors, Y, Blid, J, Ginman, T, Karlstrom, S, Kihlstrom, J, Kolmodin, K, Lindstrom, J, Berg, S, Kieseritzky, F, Slivo, C, Swahn, B, Viklund, J, Olsson, L, Johansson, P, Eketjall, S, Falting, J, Jeppsson, F, Stromberg, K, Janson, J, Rahm, F. | Deposit date: | 2012-08-16 | Release date: | 2013-06-26 | Last modified: | 2013-07-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Core Refinement Toward Permeable Beta-Secretase (Bace-1) Inhibitors with Low Herg Activity. J.Med.Chem., 56, 2013
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4B70
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![BU of 4b70 by Molmil](/molmil-images/mine/4b70) | Aminoimidazoles as BACE-1 Inhibitors: From De Novo Design to Ab- lowering in Brain | Descriptor: | (2S)-2-[3-(3-chlorophenyl)phenyl]-2-methyl-5,6-dihydro-1,3-oxazin-4-amine, BETA-SECRETASE 1 | Authors: | Gravenfors, Y, Blid, J, Ginman, T, Karlstrom, S, Kihlstrom, J, Kolmodin, K, Lindstrom, J, Berg, S, Kieseritzky, F, Slivo, C, Swahn, B, Viklund, J, Olsson, L, Johansson, P, Eketjall, S, Falting, J, Jeppsson, F, Stromberg, K, Janson, J, Rahm, F. | Deposit date: | 2012-08-16 | Release date: | 2013-06-26 | Last modified: | 2013-07-03 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Core Refinement Toward Permeable Beta-Secretase (Bace-1) Inhibitors with Low Herg Activity. J.Med.Chem., 56, 2013
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4B78
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![BU of 4b78 by Molmil](/molmil-images/mine/4b78) | Aminoimidazoles as BACE-1 Inhibitors: From De Novo Design to Ab- lowering in Brain | Descriptor: | (3R,5R)-3-methoxy-5-(4-methoxyphenyl)-5-(3-pyridin-3-ylphenyl)-3,4-dihydropyrrol-2-amine, BETA-SECRETASE 1 | Authors: | Gravenfors, Y, Blid, J, Ginman, T, Karlstrom, S, Kihlstrom, J, Kolmodin, K, Lindstrom, J, Berg, S, Kieseritzky, F, Slivo, C, Swahn, B, Viklund, J, Olsson, L, Johansson, P, Eketjall, S, Falting, J, Jeppsson, F, Stromberg, K, Janson, J, Rahm, F. | Deposit date: | 2012-08-16 | Release date: | 2013-06-26 | Last modified: | 2013-07-03 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Core Refinement Toward Permeable Beta-Secretase (Bace-1) Inhibitors with Low Herg Activity. J.Med.Chem., 56, 2013
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4B72
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![BU of 4b72 by Molmil](/molmil-images/mine/4b72) | Aminoimidazoles as BACE-1 Inhibitors: From De Novo Design to Ab- lowering in Brain | Descriptor: | (6R)-6-(4-methoxyphenyl)-2-methyl-6-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-d][1,3]thiazol-4-amine, BETA-SECRETASE 1 | Authors: | Gravenfors, Y, Blid, J, Ginman, T, Karlstrom, S, Kihlstrom, J, Kolmodin, K, Lindstrom, J, Berg, S, Kieseritzky, F, Slivo, C, Swahn, B, Viklund, J, Olsson, L, Johansson, P, Eketjall, S, Falting, J, Jeppsson, F, Stromberg, K, Janson, J, Rahm, F. | Deposit date: | 2012-08-16 | Release date: | 2013-06-26 | Last modified: | 2013-07-03 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Core Refinement Toward Permeable Beta-Secretase (Bace-1) Inhibitors with Low Herg Activity. J.Med.Chem., 56, 2013
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3NUL
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![BU of 3nul by Molmil](/molmil-images/mine/3nul) | Profilin I from Arabidopsis thaliana | Descriptor: | GLYCEROL, PROFILIN I, SULFATE ION | Authors: | Thorn, K, Christensen, H.E.M, Shigeta, R, Huddler, D, Chua, N.-H, Shalaby, L, Lindberg, U, Schutt, C.E. | Deposit date: | 1996-11-27 | Release date: | 1997-12-03 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The crystal structure of a major allergen from plants. Structure, 5, 1997
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3UA1
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4PIN
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![BU of 4pin by Molmil](/molmil-images/mine/4pin) | Ergothioneine-biosynthetic methyltransferase EgtD in complex with N,N-dimethylhistidine | Descriptor: | Histidine-specific methyltransferase EgtD, N,N-dimethyl-L-histidine, PHOSPHATE ION | Authors: | Vit, A, Seebeck, F.P, Blankenfeldt, W. | Deposit date: | 2014-05-09 | Release date: | 2014-12-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Ergothioneine Biosynthetic Methyltransferase EgtD Reveals the Structural Basis of Aromatic Amino Acid Betaine Biosynthesis. Chembiochem, 16, 2015
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4PIM
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4PIO
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![BU of 4pio by Molmil](/molmil-images/mine/4pio) | Ergothioneine-biosynthetic methyltransferase EgtD in complex with N,N-dimethylhistidine and SAH | Descriptor: | CHLORIDE ION, Histidine-specific methyltransferase EgtD, MAGNESIUM ION, ... | Authors: | Vit, A, Seebeck, F.P, Blankenfeldt, W. | Deposit date: | 2014-05-09 | Release date: | 2014-12-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.506 Å) | Cite: | Ergothioneine Biosynthetic Methyltransferase EgtD Reveals the Structural Basis of Aromatic Amino Acid Betaine Biosynthesis. Chembiochem, 16, 2015
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5NUZ
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![BU of 5nuz by Molmil](/molmil-images/mine/5nuz) | Junin virus GP1 glycoprotein in complex with an antibody Fab fragment | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ISOPROPYL ALCOHOL, ... | Authors: | Zeltina, A, Krumm, S.A, Sahin, M, Struwe, W.B, Harlos, K, Nunberg, J.H, Crispin, M, Pinschewer, D.D, Doores, K.J, Bowden, T.A. | Deposit date: | 2017-05-03 | Release date: | 2017-06-28 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Convergent immunological solutions to Argentine hemorrhagic fever virus neutralization. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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3Q31
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![BU of 3q31 by Molmil](/molmil-images/mine/3q31) | Structure of fungal alpha Carbonic Anhydrase from Aspergillus oryzae | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Carbonic anhydrase, D-MALATE, ... | Authors: | Cuesta-Seijo, J.A, Borchert, M.S, Navarro-Poulsen, J.C, Schnorr, K.M, Leggio, L.L. | Deposit date: | 2010-12-21 | Release date: | 2011-03-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.703 Å) | Cite: | Structure of fungal alpha Carbonic Anhydrase from Aspergillus oryzae To be Published
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1PX9
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![BU of 1px9 by Molmil](/molmil-images/mine/1px9) | Solution structure of the native CnErg1 Ergtoxin, a highly specific inhibitor of HERG channel | Descriptor: | ergtoxin | Authors: | Frenal, K, Wecker, K, Gurrola, G.B, Possani, L.D, Wolff, N, Delepierre, M. | Deposit date: | 2003-07-03 | Release date: | 2004-06-22 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | Exploring structural features of the interaction between the scorpion toxinCnErg1 and ERG K+ channels. Proteins, 56, 2004
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8BMS
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![BU of 8bms by Molmil](/molmil-images/mine/8bms) | Cryo-EM structure of the mutant solitary ECF module 2EQ in MSP2N2 lipid nanodiscs in the ATPase closed and ATP-bound conformation | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Energy-coupling factor transporter ATP-binding protein EcfA1, Energy-coupling factor transporter ATP-binding protein EcfA2, ... | Authors: | Thangaratnarajah, C, Rheinberger, J, Paulino, C, Slotboom, D.J. | Deposit date: | 2022-11-10 | Release date: | 2023-08-02 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Expulsion mechanism of the substrate-translocating subunit in ECF transporters. Nat Commun, 14, 2023
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8BMP
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![BU of 8bmp by Molmil](/molmil-images/mine/8bmp) | Cryo-EM structure of the folate-specific ECF transporter complex in MSP2N2 lipid nanodiscs bound to ATP and ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Energy-coupling factor transporter ATP-binding protein EcfA1, ... | Authors: | Thangaratnarajah, C, Rheinberger, J, Paulino, C, Slotboom, D.J. | Deposit date: | 2022-11-10 | Release date: | 2023-08-02 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Expulsion mechanism of the substrate-translocating subunit in ECF transporters. Nat Commun, 14, 2023
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1GT6
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![BU of 1gt6 by Molmil](/molmil-images/mine/1gt6) | S146A mutant of Thermomyces (Humicola) lanuginosa lipase complex with oleic acid | Descriptor: | Lipase, OLEIC ACID | Authors: | Brzozowski, A.M, Yapoudjian, S, Ivanova, M.G, Patkar, S.A, Vind, J, Svendsen, A, Verger, R. | Deposit date: | 2002-01-11 | Release date: | 2003-01-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Binding of Thermomyces (Humicola) lanuginosa lipase to the mixed micelles of cis-parinaric acid/NaTDC. Eur.J.Biochem., 269, 2002
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1IA5
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![BU of 1ia5 by Molmil](/molmil-images/mine/1ia5) | POLYGALACTURONASE FROM ASPERGILLUS ACULEATUS | Descriptor: | POLYGALACTURONASE, alpha-D-mannopyranose, alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Cho, S.W, Lee, S, Shin, W. | Deposit date: | 2001-03-22 | Release date: | 2001-09-19 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The X-ray structure of Aspergillus aculeatus polygalacturonase and a modeled structure of the polygalacturonase-octagalacturonate complex. J.Mol.Biol., 311, 2001
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1IB4
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4V63
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![BU of 4v63 by Molmil](/molmil-images/mine/4v63) | Structural basis for translation termination on the 70S ribosome. | Descriptor: | 16S RRNA, 23S RRNA, 30S ribosomal protein S10, ... | Authors: | Laurberg, M, Asahara, H, Korostelev, A, Zhu, J, Trakhanov, S, Noller, H.F. | Deposit date: | 2008-05-16 | Release date: | 2014-07-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.207 Å) | Cite: | Structural basis for translation termination on the 70S ribosome Nature, 454, 2008
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1USW
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![BU of 1usw by Molmil](/molmil-images/mine/1usw) | Crystal Structure of Ferulic Acid Esterase from Aspergillus niger | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FERULOYL ESTERASE A, SULFATE ION | Authors: | Hermoso, J, Sanz-Aparicio, J, Molina, R, Faulds, C. | Deposit date: | 2003-12-01 | Release date: | 2004-04-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The Crystal Structure of Feruloyl Esterase a from Aspergillus Niger Suggests Evolutive Functional Convergence in Feruloyl Esterase Family J.Mol.Biol., 338, 2004
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3WNX
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![BU of 3wnx by Molmil](/molmil-images/mine/3wnx) | Crystal structure of ERGIC-53/MCFD2, Calcium/Man3-bound form | Descriptor: | CALCIUM ION, Multiple coagulation factor deficiency protein 2, Protein ERGIC-53, ... | Authors: | Satoh, T, Suzuki, K, Yamaguchi, T, Kato, K. | Deposit date: | 2013-12-18 | Release date: | 2014-01-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structural Basis for Disparate Sugar-Binding Specificities in the Homologous Cargo Receptors ERGIC-53 and VIP36 Plos One, 9, 2014
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7B6W
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![BU of 7b6w by Molmil](/molmil-images/mine/7b6w) | Crystal structure of the human alpha1B adrenergic receptor in complex with inverse agonist (+)-cyclazosin | Descriptor: | Alpha-1B adrenergic receptor,alpha1B adrenergic receptor,Alpha-1B adrenergic receptor,alpha1B adrenergic receptor,Alpha-1B adrenergic receptor,alpha1B adrenergic receptor,Alpha-1B adrenergic receptor,alpha1B adrenergic receptor, [(4~{a}~{R},8~{a}~{S})-4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-2,3,4~{a},5,6,7,8,8~{a}-octahydroquinoxalin-1-yl]-(furan-2-yl)methanone | Authors: | Deluigi, M, Morstein, L, Hilge, M, Schuster, M, Merklinger, L, Klipp, A, Scott, D.J, Plueckthun, A. | Deposit date: | 2020-12-08 | Release date: | 2022-01-12 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.873 Å) | Cite: | Crystal structure of the alpha 1B -adrenergic receptor reveals molecular determinants of selective ligand recognition. Nat Commun, 13, 2022
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2VVL
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![BU of 2vvl by Molmil](/molmil-images/mine/2vvl) | The structure of MAO-N-D3, a variant of monoamine oxidase from Aspergillus niger. | Descriptor: | 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, MONOAMINE OXIDASE N | Authors: | Atkin, K.E, Hart, S, Turkenburg, J.P, Brzozowski, A.M, Grogan, G.J. | Deposit date: | 2008-06-10 | Release date: | 2008-11-04 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | The Structure of Monoamine Oxidase from Aspergillus Niger Provides a Molecular Context for Improvements in Activity Obtained by Directed Evolution. J.Mol.Biol., 384, 2008
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4B9R
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4IDU
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![BU of 4idu by Molmil](/molmil-images/mine/4idu) | |