1KCC
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![BU of 1kcc by Molmil](/molmil-images/mine/1kcc) | Endopolygalacturonase I from Stereum purpureum complexed with a galacturonate at 1.00 A resolution. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ENDOPOLYGALACTURONASE, ... | Authors: | Shimizu, T, Nakatsu, T, Miyairi, K, Okuno, T, Kato, H. | Deposit date: | 2001-11-08 | Release date: | 2002-06-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Active-site architecture of endopolygalacturonase I from Stereum purpureum revealed by crystal structures in native and ligand-bound forms at atomic resolution. Biochemistry, 41, 2002
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1PG5
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![BU of 1pg5 by Molmil](/molmil-images/mine/1pg5) | CRYSTAL STRUCTURE OF THE UNLIGATED (T-STATE) ASPARTATE TRANSCARBAMOYLASE FROM THE EXTREMELY THERMOPHILIC ARCHAEON SULFOLOBUS ACIDOCALDARIUS | Descriptor: | Aspartate carbamoyltransferase, Aspartate carbamoyltransferase regulatory chain, ZINC ION | Authors: | De Vos, D, Van Petegem, F, Remaut, H, Legrain, C, Glansdorff, N, Van Beeumen, J.J. | Deposit date: | 2003-05-27 | Release date: | 2004-06-08 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structure of T State Aspartate Carbamoyltransferase of the Hyperthermophilic Archaeon Sulfolobus acidocaldarius. J.Mol.Biol., 339, 2004
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3B9I
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![BU of 3b9i by Molmil](/molmil-images/mine/3b9i) | |
2Q7K
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![BU of 2q7k by Molmil](/molmil-images/mine/2q7k) | |
2Q7L
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![BU of 2q7l by Molmil](/molmil-images/mine/2q7l) | |
3KY8
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1KD7
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![BU of 1kd7 by Molmil](/molmil-images/mine/1kd7) | Crystal structure of an extracellular domain fragment of human BAFF | Descriptor: | TUMOR NECROSIS FACTOR LIGAND SUPERFAMILY MEMBER 13B | Authors: | Karpusas, M, Cachero, T.G, Qian, F, Boriack-Sjodin, A, Mullen, C, Strauch, K, Hsu, Y.-M, Kalled, S.L. | Deposit date: | 2001-11-12 | Release date: | 2002-11-12 | Last modified: | 2017-02-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure of Extracellular Human BAFF, a TNF Family Member that Stimulates B Lymphocytes J.Mol.Biol., 315, 2002
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1FCY
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![BU of 1fcy by Molmil](/molmil-images/mine/1fcy) | ISOTYPE SELECTIVITY OF THE HUMAN RETINOIC ACID NUCLEAR RECEPTOR HRAR: THE COMPLEX WITH THE RARBETA/GAMMA-SELECTIVE RETINOID CD564 | Descriptor: | 6-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTALENE-2-CARBONYL)-NAPHTALENE-2-CARBOXYLIC ACID, DODECYL-ALPHA-D-MALTOSIDE, RETINOIC ACID RECEPTOR GAMMA-1 | Authors: | Klaholz, B.P, Mitschler, A, Moras, D, Structural Proteomics in Europe (SPINE) | Deposit date: | 2000-07-19 | Release date: | 2000-09-11 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structural basis for isotype selectivity of the human retinoic acid nuclear receptor. J.Mol.Biol., 302, 2000
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4BS5
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![BU of 4bs5 by Molmil](/molmil-images/mine/4bs5) | MOUSE CATHEPSIN S WITH COVALENT LIGAND | Descriptor: | (2S,4R)-N-[1-(iminomethyl)cyclopropyl]-4-[2-(trifluoromethyl)phenyl]sulfonyl-pyrrolidine-2-carboxamide, CATHEPSIN S | Authors: | Banner, D.W, Benz, J, Gsell, B, Stihle, M, Ruf, A, Haap, W. | Deposit date: | 2013-06-07 | Release date: | 2013-11-27 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Identification of Potent and Selective Cathepsin S (Cats) Inhibitors Containing Different Central Cyclic Scaffolds. J.Med.Chem., 56, 2013
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6L89
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![BU of 6l89 by Molmil](/molmil-images/mine/6l89) | Human PPARgamma ligand binding domain complexed with Butyrolactone 1 | Descriptor: | Peroxisome proliferator-activated receptor gamma, methyl (2R)-3-(4-hydroxyphenyl)-2-[[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]methyl]-4-oxidanyl-5-oxidanylidene-furan-2-carboxylate | Authors: | Jang, D.M, Han, B.W. | Deposit date: | 2019-11-05 | Release date: | 2020-09-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Cyclin-Dependent Kinase 5 Inhibitor Butyrolactone I Elicits a Partial Agonist Activity of Peroxisome Proliferator-Activated Receptor gamma. Biomolecules, 10, 2020
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1HSY
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1FCZ
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![BU of 1fcz by Molmil](/molmil-images/mine/1fcz) | ISOTYPE SELECTIVITY OF THE HUMAN RETINOIC ACID NUCLEAR RECEPTOR HRAR: THE COMPLEX WITH THE PANAGONIST RETINOID BMS181156 | Descriptor: | 4-[3-OXO-3-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)-PROPENYL]-BENZOIC ACID, DODECYL-ALPHA-D-MALTOSIDE, RETINOIC ACID RECEPTOR GAMMA-1 | Authors: | Klaholz, B.P, Mitschler, A, Moras, D, Structural Proteomics in Europe (SPINE) | Deposit date: | 2000-07-19 | Release date: | 2000-09-11 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Structural basis for isotype selectivity of the human retinoic acid nuclear receptor. J.Mol.Biol., 302, 2000
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2DTD
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![BU of 2dtd by Molmil](/molmil-images/mine/2dtd) | Structure of Thermoplasma acidophilum aldohexose dehydrogenase (AldT) in ligand-free form | Descriptor: | Glucose 1-dehydrogenase related protein, SULFATE ION | Authors: | Yasutake, Y, Nishiya, Y, Tamura, N, Tamura, T. | Deposit date: | 2006-07-12 | Release date: | 2007-03-27 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Insights into Unique Substrate Selectivity of Thermoplasma acidophilumd-Aldohexose Dehydrogenase J.Mol.Biol., 367, 2007
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1FCX
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![BU of 1fcx by Molmil](/molmil-images/mine/1fcx) | ISOTYPE SELECTIVITY OF THE HUMAN RETINOIC ACID NUCLEAR RECEPTOR HRAR: THE COMPLEX WITH THE RARGAMMA-SELECTIVE RETINOID BMS184394 | Descriptor: | 6-[HYDROXY-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTALEN-2-YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID, DODECYL-ALPHA-D-MALTOSIDE, RETINOIC ACID RECEPTOR GAMMA-1 | Authors: | Klaholz, B.P, Mitschler, A, Moras, D, Structural Proteomics in Europe (SPINE) | Deposit date: | 2000-07-19 | Release date: | 2000-09-11 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Structural basis for isotype selectivity of the human retinoic acid nuclear receptor. J.Mol.Biol., 302, 2000
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8R17
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![BU of 8r17 by Molmil](/molmil-images/mine/8r17) | Crystal structure of Neurospora crassa NADase with modified C-terminus | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Conidial surface nicotinamide adenine dinucleotide glycohydrolase,Conidial surface nicotinamide adenine dinucleotide glycohydrolase nadA, ... | Authors: | Kallio, J.P, Ferrario, E, Ziegler, M. | Deposit date: | 2023-11-01 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Evolution of fungal tuberculosis necrotizing toxin (TNT) domain-containing enzymes reveals divergent adaptations to enhance NAD cleavage. Protein Sci., 33, 2024
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3KGQ
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![BU of 3kgq by Molmil](/molmil-images/mine/3kgq) | Carboxypeptidase A liganded to an organic small-molecule: conformational changes | Descriptor: | ACETONE, CITRIC ACID, Carboxypeptidase A1, ... | Authors: | Fernandez, D, Boix, E, Pallares, I, Aviles, F.X, Vendrell, J. | Deposit date: | 2009-10-29 | Release date: | 2010-10-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and Functional Analysis of the Complex between Citrate and the Zinc Peptidase Carboxypeptidase A Enzyme Res, 2011, 2011
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4BSQ
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![BU of 4bsq by Molmil](/molmil-images/mine/4bsq) | MOUSE CATHEPSIN S WITH COVALENT LIGAND | Descriptor: | (1R,2R,4R)-N-(2-azanylideneethyl)-2-morpholin-4-ylcarbonyl-4-(phenylsulfonyl)cyclopentane-1-carboxamide, CATHEPSIN S, SULFATE ION | Authors: | Banner, D.W, Benz, J, Gsell, B, Stihle, M, Ruf, A, Hilpert, H. | Deposit date: | 2013-06-11 | Release date: | 2013-11-27 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Identification of Potent and Selective Cathepsin S (Cats) Inhibitors Containing Different Central Cyclic Scaffolds. J.Med.Chem., 56, 2013
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2LOB
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![BU of 2lob by Molmil](/molmil-images/mine/2lob) | PDZ Domain of CAL (Cystic Fibrosis Transmembrane Regulator-Associated Ligand) | Descriptor: | Cystic fibrosis transmembrane conductance regulator, Golgi-associated PDZ and coiled-coil motif-containing protein | Authors: | Piserchio, A, Fellows, A, Madden, D.R, Mierke, D.F. | Deposit date: | 2012-01-20 | Release date: | 2012-06-13 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Association of the cystic fibrosis transmembrane regulator with CAL: structural features and molecular dynamics. Biochemistry, 44, 2005
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6E80
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![BU of 6e80 by Molmil](/molmil-images/mine/6e80) | |
6QTX
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3D98
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4TR9
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![BU of 4tr9 by Molmil](/molmil-images/mine/4tr9) | Ternary co-crystal structure of fructose-bisphosphate aldolase from Plasmodium falciparum in complex with TRAP and a small molecule inhibitor | Descriptor: | ALA-ALA-ALA-SER-LEU-TYR-GLU-LYS-LYS-ALA-ALA, ALA-ALA-SER-LEU-TYR-GLU-LYS-LYS-ALA-ALA, ASP-TRP-ASN, ... | Authors: | Bosch, G, Weltzer, R, O'Malley, K, Bosch, J. | Deposit date: | 2014-06-15 | Release date: | 2015-08-26 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.111 Å) | Cite: | Inhibition by stabilization: targeting the Plasmodium falciparum aldolase-TRAP complex. Malar.J., 14, 2015
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3CDP
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![BU of 3cdp by Molmil](/molmil-images/mine/3cdp) | Crystal structure of PPAR-gamma LBD complexed with a partial agonist, analogue of clofibric acid | Descriptor: | (2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma | Authors: | Pochetti, G, Montanari, R, Mazza, F. | Deposit date: | 2008-02-27 | Release date: | 2009-01-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Synthesis, biological evaluation and molecular investigation of fluorinated peroxisome proliferator-activated receptors alpha/gamma dual agonists Bioorg.Med.Chem., 20, 2012
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3PCV
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![BU of 3pcv by Molmil](/molmil-images/mine/3pcv) | Crystal structure analysis of human leukotriene C4 synthase at 1.9 angstrom resolution | Descriptor: | 1,2-ETHANEDIOL, DODECYL-BETA-D-MALTOSIDE, GLUTATHIONE, ... | Authors: | Saino, H, Ago, H, Miyano, M. | Deposit date: | 2010-10-22 | Release date: | 2011-03-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The catalytic architecture of leukotriene C4 synthase with two arginine residues J.Biol.Chem., 286, 2011
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5F2W
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![BU of 5f2w by Molmil](/molmil-images/mine/5f2w) | Crystal structure of human KDM4A in complex with compound 16 | Descriptor: | 1,2-ETHANEDIOL, 2-(2-azanyl-1,3-thiazol-4-yl)pyridine-4-carboxamide, DIMETHYL SULFOXIDE, ... | Authors: | Le Bihan, Y.-V, Dempster, S, Westwood, I.M, van Montfort, R.L.M. | Deposit date: | 2015-12-02 | Release date: | 2016-01-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors. J.Med.Chem., 59, 2016
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