3IB1
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![BU of 3ib1 by Molmil](/molmil-images/mine/3ib1) | Structural basis of the prevention of NSAID-induced damage of the gastrointestinal tract by C-terminal half (C-lobe) of bovine colostrum protein lactoferrin: Binding and structural studies of C-lobe complex with indomethacin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, FE (III) ION, ... | Authors: | Mir, R, Singh, N, Sinha, M, Sharma, S, Kaur, P, Srinivasan, A, Singh, T.P. | Deposit date: | 2009-07-15 | Release date: | 2009-08-11 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The structural basis for the prevention of nonsteroidal antiinflammatory drug-induced gastrointestinal tract damage by the C-lobe of bovine colostrum lactoferrin Biophys.J., 97, 2009
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3AE1
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![BU of 3ae1 by Molmil](/molmil-images/mine/3ae1) | Crystal structure of porcine heart mitochondrial complex II bound with N-Phenyl-2-(trifluoromethyl)-benzamide | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Harada, S, Sasaki, T, Shindo, M, Kido, Y, Inaoka, D.K, Omori, J, Osanai, A, Sakamoto, K, Mao, J, Matsuoka, S, Inoue, M, Honma, T, Tanaka, A, Kita, K. | Deposit date: | 2010-02-04 | Release date: | 2011-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.139 Å) | Cite: | Crystal structure of porcine heart mitochondrial complex II bound with N-Phenyl-2-(trifluoromethyl)-benzamide to be published
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3AEC
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![BU of 3aec by Molmil](/molmil-images/mine/3aec) | Crystal structure of porcine heart mitochondrial complex II bound with 2-Iodo-N-(1-methylethyl)-benzamid | Descriptor: | 2-iodo-N-(1-methylethyl)benzamide, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ... | Authors: | Harada, S, Sasaki, T, Shindo, M, Kido, Y, Inaoka, D.K, Omori, J, Osanai, A, Sakamoto, K, Mao, J, Matsuoka, S, Inoue, M, Honma, T, Tanaka, A, Kita, K. | Deposit date: | 2010-02-04 | Release date: | 2011-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.61 Å) | Cite: | Crystal structure of porcine heart mitochondrial complex II bound with 2-Iodo-N-(1-methylethyl)-benzamid To be Published
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4QT2
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![BU of 4qt2 by Molmil](/molmil-images/mine/4qt2) | Crystal Structure of the FK506-Binding Domain of Plasmodium Falciparum FKBP35 in complex with Rapamycin | Descriptor: | FK506-binding protein (FKBP)-type peptidyl-propyl isomerase, IMIDAZOLE, RAPAMYCIN IMMUNOSUPPRESSANT DRUG | Authors: | Bianchin, A, Allemand, F, Bell, A, Chubb, A.J, Guichou, J.-F. | Deposit date: | 2014-07-07 | Release date: | 2015-06-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Two crystal structures of the FK506-binding domain of Plasmodium falciparum FKBP35 in complex with rapamycin at high resolution Acta Crystallogr.,Sect.D, 71, 2015
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4QXV
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![BU of 4qxv by Molmil](/molmil-images/mine/4qxv) | CRYSTAL STRUCTURE of HUMAN TRANSTHYRETIN IN COMPLEX WITH LUTEOLIN AT 1.1 A RESOLUTION | Descriptor: | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, GLYCEROL, SODIUM ION, ... | Authors: | Begum, A, Olofsson, A, Sauer-Eriksson, A.E. | Deposit date: | 2014-07-22 | Release date: | 2015-06-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | The flavonoid luteolin, but not luteolin-7-o-glucoside, prevents a transthyretin mediated toxic response. Plos One, 10, 2015
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3LBK
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![BU of 3lbk by Molmil](/molmil-images/mine/3lbk) | Structure of human MDM2 protein in complex with a small molecule inhibitor | Descriptor: | 6-chloro-3-[1-(4-chlorobenzyl)-4-phenyl-1H-imidazol-5-yl]-1H-indole-2-carboxylic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | Authors: | Popowicz, G.M, Czarna, A, Wolf, S, Holak, T.A. | Deposit date: | 2010-01-08 | Release date: | 2010-03-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures of low molecular weight inhibitors bound to MDMX and MDM2 reveal new approaches for p53-MDMX/MDM2 antagonist drug discovery Cell Cycle, 9, 2010
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4J1E
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![BU of 4j1e by Molmil](/molmil-images/mine/4j1e) | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-Cyano-pyridine-2-carboxylic acid [3-((4S,6S)-2-amino-4-fluoromethyl-6-trifluoromethyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide | Descriptor: | Beta-secretase 1, DIMETHYL SULFOXIDE, N-{3-[(4S,6S)-2-amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide, ... | Authors: | Kuglstatter, A, Stihle, M. | Deposit date: | 2013-02-01 | Release date: | 2013-05-01 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | beta-Secretase (BACE1) Inhibitors with High In Vivo Efficacy Suitable for Clinical Evaluation in Alzheimer s Disease J.Med.Chem., 56, 2013
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4APN
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![BU of 4apn by Molmil](/molmil-images/mine/4apn) | Structure of TR from Leishmania infantum in complex with a diarylpirrole-based inhibitor | Descriptor: | 4-[[1-(4-ethylphenyl)-2-methyl-5-(4-methylsulfanylphenyl)pyrrol-3-yl]methyl]thiomorpholine, FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Baiocco, P, Ilari, A, Colotti, G, Biava, M. | Deposit date: | 2012-04-04 | Release date: | 2013-04-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Inhibition of Leishmania Infantum Trypanothione Reductase by Azole-Based Compounds: A Comparative Analysis with its Physiological Substrate by X-Ray Crystallography. Chemmedchem, 8, 2013
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2EXV
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![BU of 2exv by Molmil](/molmil-images/mine/2exv) | Crystal structure of the F7A mutant of the cytochrome c551 from Pseudomonas aeruginosa | Descriptor: | ACETIC ACID, Cytochrome c-551, HEME C | Authors: | Bonivento, D, Di Matteo, A, Borgia, A, Travaglini-Allocatelli, C, Brunori, M. | Deposit date: | 2005-11-09 | Release date: | 2006-02-07 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Unveiling a Hidden Folding Intermediate in c-Type Cytochromes by Protein Engineering J.Biol.Chem., 281, 2006
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7XYH
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![BU of 7xyh by Molmil](/molmil-images/mine/7xyh) | Crystal structure of CK2a2 complexed with AG1112 | Descriptor: | 1,2-ETHANEDIOL, 5-azanyl-3-[(~{Z})-1-cyano-2-(1~{H}-indol-3-yl)ethenyl]-1~{H}-pyrazole-4-carbonitrile, Casein kinase II subunit alpha' | Authors: | Ikeda, A, Kinoshita, T, Tsuyuguchi, M. | Deposit date: | 2022-06-01 | Release date: | 2023-01-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Bivalent binding mode of an amino-pyrazole inhibitor indicates the potentials for CK2 alpha 1-selective inhibitors. Biochem.Biophys.Res.Commun., 630, 2022
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3AK0
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![BU of 3ak0 by Molmil](/molmil-images/mine/3ak0) | Crystal Structure of Ancestral Congerin Con-anc'-N28K | Descriptor: | Ancestral congerin Con-anc, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Konno, A, Kitagawa, A, Watanabe, M, Ogawa, T, Shirai, T. | Deposit date: | 2010-06-29 | Release date: | 2011-05-18 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Tracing protein evolution through ancestral structures of fish galectin Structure, 19, 2011
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2XJI
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![BU of 2xji by Molmil](/molmil-images/mine/2xji) | Structure and Copper-binding Properties of Methanobactins from Methylosinus trichosporium OB3b | Descriptor: | COPPER (II) ION, METHANOBACTIN MB-OB3B | Authors: | El-Ghazouani, A, Basle, A, Firbank, S.J, Knapp, C.W, Gray, J, Graham, D.W, Dennison, C. | Deposit date: | 2010-07-06 | Release date: | 2011-02-02 | Last modified: | 2019-07-10 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Copper-Binding Properties and Structures of Methanobactins from Methylosinus Trichosporium Ob3B. Inorg.Chem., 50, 2011
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2ERM
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![BU of 2erm by Molmil](/molmil-images/mine/2erm) | Solution structure of a biologically active human FGF-1 monomer, complexed to a hexasaccharide heparin-analogue | Descriptor: | 2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-acetamido-2-deoxy-6-O-sulfo-alpha-D-glucopyranose-(1-4)-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid, Heparin-binding growth factor 1, ISOPROPYL ALCOHOL | Authors: | Canales, A, Lozano, R, Nieto, P.M, Martin-Lomas, M, Gimenez-Gallego, G, Jimenez-Barbero, J. | Deposit date: | 2005-10-25 | Release date: | 2006-10-03 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution NMR structure of a human FGF-1 monomer, activated by a hexasaccharide heparin-analogue. Febs J., 273, 2006
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4ISW
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![BU of 4isw by Molmil](/molmil-images/mine/4isw) | Crystal Structure of Phosphorylated C.elegans Thymidylate Synthase in Complex with dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase | Authors: | Wilk, P, Dowiercial, A, Banaszak, K, Jarmula, A, Rypniewski, W, Rode, W. | Deposit date: | 2013-01-17 | Release date: | 2013-12-11 | Last modified: | 2014-01-15 | Method: | X-RAY DIFFRACTION (3.14 Å) | Cite: | Crystal structure of phosphoramide-phosphorylated thymidylate synthase reveals pSer127, reflecting probably pHis to pSer phosphotransfer. Bioorg.Chem., 52C, 2013
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7YCL
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![BU of 7ycl by Molmil](/molmil-images/mine/7ycl) | Crystal structure of SARS-CoV-2 Spike RBD in complex with IS-9A Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, IS-9A Fab heavy chain, IS-9A Fab light chain, ... | Authors: | Mohapatra, A, Chen, X. | Deposit date: | 2022-07-01 | Release date: | 2023-02-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Structural basis for a conserved neutralization epitope on the receptor-binding domain of SARS-CoV-2. Nat Commun, 14, 2023
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7MI2
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![BU of 7mi2 by Molmil](/molmil-images/mine/7mi2) | Seb1-G476S RNA binding domain | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Rpb7-binding protein seb1 | Authors: | Jacewicz, A, Shuman, S. | Deposit date: | 2021-04-16 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Genetic screen for suppression of transcriptional interference identifies a gain-of-function mutation in Pol2 termination factor Seb1. Proc.Natl.Acad.Sci.USA, 118, 2021
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2H1B
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![BU of 2h1b by Molmil](/molmil-images/mine/2h1b) | ResA E80Q | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Thiol-disulfide oxidoreductase resA | Authors: | Lewin, A, Crow, A, Oubrie, A, Le Brun, N.E. | Deposit date: | 2006-05-16 | Release date: | 2006-09-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Molecular Basis for Specificity of the Extracytoplasmic Thioredoxin ResA. J.Biol.Chem., 281, 2006
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7YA8
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![BU of 7ya8 by Molmil](/molmil-images/mine/7ya8) | The crystal structure of IpaH2.5 LRR domain | Descriptor: | RING-type E3 ubiquitin transferase | Authors: | Hiragi, K, Nishide, A, Takagi, K, Iwai, K, Kim, M, Mizushima, T. | Deposit date: | 2022-06-27 | Release date: | 2023-02-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structural insight into the recognition of the linear ubiquitin assembly complex by Shigella E3 ligase IpaH1.4/2.5. J.Biochem., 173, 2023
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7YCN
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![BU of 7ycn by Molmil](/molmil-images/mine/7ycn) | |
7YA7
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![BU of 7ya7 by Molmil](/molmil-images/mine/7ya7) | The crystal structure of IpaH1.4 LRR domain | Descriptor: | RING-type E3 ubiquitin transferase | Authors: | Hiragi, K, Nishide, A, Takagi, K, Iwai, K, Kim, M, Mizushima, T. | Deposit date: | 2022-06-27 | Release date: | 2023-02-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural insight into the recognition of the linear ubiquitin assembly complex by Shigella E3 ligase IpaH1.4/2.5. J.Biochem., 173, 2023
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4J0T
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![BU of 4j0t by Molmil](/molmil-images/mine/4j0t) | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-Ethoxy-pyridine-2-carboxylic acid [3-((R)-2-amino-5,5-difluoro-4-methyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide | Descriptor: | 5-Ethoxy-pyridine-2-carboxylic acid [3-((R)-2-amino-5,5-difluoro-4-methyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide, Beta-secretase 1, DIMETHYL SULFOXIDE, ... | Authors: | Kuglstatter, A, Stihle, M. | Deposit date: | 2013-01-31 | Release date: | 2013-05-01 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | beta-Secretase (BACE1) Inhibitors with High In Vivo Efficacy Suitable for Clinical Evaluation in Alzheimer s Disease J.Med.Chem., 56, 2013
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3D2J
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![BU of 3d2j by Molmil](/molmil-images/mine/3d2j) | Structure of berberine bridge enzyme from Eschscholzia californica, tetragonal crystal form | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ... | Authors: | Winkler, A, Lyskowski, A, Macheroux, P, Gruber, K. | Deposit date: | 2008-05-08 | Release date: | 2008-10-28 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | A concerted mechanism for berberine bridge enzyme Nat.Chem.Biol., 4, 2008
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7XQ7
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![BU of 7xq7 by Molmil](/molmil-images/mine/7xq7) | The complex structure of WT-Mpro | Descriptor: | 3C-like proteinase nsp5, SODIUM ION | Authors: | Sahoo, P, Lenka, D.R, Kumar, A. | Deposit date: | 2022-05-06 | Release date: | 2023-03-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Detailed Insights into the Inhibitory Mechanism of New Ebselen Derivatives against Main Protease (M pro ) of Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2). Acs Pharmacol Transl Sci, 6, 2023
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7XQ6
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![BU of 7xq6 by Molmil](/molmil-images/mine/7xq6) | The complex structure of mutant Mpro with inhibitor | Descriptor: | 3C-like proteinase nsp5, CHLORIDE ION | Authors: | Sahoo, P, Lenka, D.R, Kumar, A. | Deposit date: | 2022-05-06 | Release date: | 2023-03-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Detailed Insights into the Inhibitory Mechanism of New Ebselen Derivatives against Main Protease (M pro ) of Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2). Acs Pharmacol Transl Sci, 6, 2023
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4J0V
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![BU of 4j0v by Molmil](/molmil-images/mine/4j0v) | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-Cyano-pyridine-2-carboxylic acid [3-((4R,5R)-2-amino-5-fluoro-4-methyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide | Descriptor: | Beta-secretase 1, DIMETHYL SULFOXIDE, N-{3-[(4R,5R)-2-amino-5-fluoro-4-methyl-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide, ... | Authors: | Kuglstatter, A, Stihle, M. | Deposit date: | 2013-01-31 | Release date: | 2013-05-01 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | beta-Secretase (BACE1) Inhibitors with High In Vivo Efficacy Suitable for Clinical Evaluation in Alzheimer s Disease J.Med.Chem., 56, 2013
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