6ESY
| Human butyrylcholinesterase in complex with thioflavine T | Descriptor: | 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Nachon, F, Brazzolotto, X, Wandhammer, M, Trovaslet-Leroy, M, Macdonald, I.R, Darvesh, S, Rosenberry, T.L. | Deposit date: | 2017-10-24 | Release date: | 2017-12-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Comparison of the Binding of Reversible Inhibitors to Human Butyrylcholinesterase and Acetylcholinesterase: A Crystallographic, Kinetic and Calorimetric Study. Molecules, 22, 2017
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8AFK
| Structure of iRFP variant C15S/N136R/V256C in complex with phycocyanobilin | Descriptor: | Near-infrared fluorescent protein, PHYCOCYANOBILIN | Authors: | Remeeva, A, Kovalev, K, Gushchin, I, Fonin, A, Turoverov, K, Stepanenko, O. | Deposit date: | 2022-07-18 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.015 Å) | Cite: | Structure of iRFP variant C15S/N136R/V256C in complex with phycocyanobilin To Be Published
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6EUA
| The fibrinogen-like domain of human Angptl3 | Descriptor: | Angiopoietin-related protein 3 | Authors: | Biterova, E.I, Esmaeeli, M.E, Alanen, H.I, Saaranen, M, Ruddock, L.W. | Deposit date: | 2017-10-30 | Release date: | 2018-05-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.095 Å) | Cite: | Structures of Angptl3 and Angptl4, modulators of triglyceride levels and coronary artery disease. Sci Rep, 8, 2018
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5N71
| CRYSTAL STRUCTURE OF MATURE CATHEPSIN D FROM THE TICK IXODES RICINUS (IRCD1) | Descriptor: | DI(HYDROXYETHYL)ETHER, Putative cathepsin d, SULFATE ION | Authors: | Brynda, J, Hanova, I, Hobizalova, R, Mares, M. | Deposit date: | 2017-02-17 | Release date: | 2017-12-27 | Last modified: | 2018-03-28 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Novel Structural Mechanism of Allosteric Regulation of Aspartic Peptidases via an Evolutionarily Conserved Exosite. Cell Chem Biol, 25, 2018
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4FW9
| Crystal structure of the Lon-like protease MtaLonC | Descriptor: | PHOSPHATE ION, TTC1975 peptidase | Authors: | Chang, C.I, Ihara, K, Kuo, C.I, Huang, K.F, Wakatsuki, S. | Deposit date: | 2012-06-30 | Release date: | 2013-06-26 | Last modified: | 2013-09-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of an ATP-independent Lon-like protease and its complexes with covalent inhibitors Acta Crystallogr.,Sect.D, 69, 2013
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6F9M
| The LIPY/F-motif in an intracellular subtilisin protease is involved in inhibition | Descriptor: | ACETATE ION, SODIUM ION, Serine protease, ... | Authors: | Bjerga, G.E.K, Larsen, O, Arsin, H, Williamson, A.K, Garcia-Moyano, A, Leiros, I, Puntervoll, P. | Deposit date: | 2017-12-14 | Release date: | 2018-06-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.298 Å) | Cite: | Mutational analysis of the pro-peptide of a marine intracellular subtilisin protease supports its role in inhibition. Proteins, 86, 2018
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8ATN
| Discovery of IRAK4 Inhibitor 38 | Descriptor: | Interleukin-1 receptor-associated kinase 4, ~{N}-[3-methyl-2-(3-methyl-3-oxidanyl-butyl)-6-(2-oxidanylpropan-2-yl)benzimidazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide | Authors: | Schafer, M, Bothe, U, Schmidt, N, Gunther, J, Nubbemeyer, R, Siebeneicher, H, Ring, S, Boemer, U, Peters, M, Denner, K, Himmel, H, Sutter, A, Terebesi, I, Lange, M, Wenger, A.M, Guimond, N, Thaler, T, Platzek, J, Eberspaecher, U, Steuber, H, Steinmeyer, A, Zollner, T.M. | Deposit date: | 2022-08-23 | Release date: | 2023-09-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.171 Å) | Cite: | Discovery of IRAK4 Inhibitors BAY1834845 (Zabedosertib) and BAY1830839 . J.Med.Chem., 67, 2024
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1KZ9
| Mutant Enzyme L119F Lumazine Synthase from S.pombe | Descriptor: | 6,7-Dimethyl-8-ribityllumazine Synthase, PHOSPHATE ION | Authors: | Gerhardt, S, Haase, I, Steinbacher, S, Kaiser, J.T, Cushman, M, Bacher, A, Huber, R, Fischer, M. | Deposit date: | 2002-02-06 | Release date: | 2002-07-24 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | The structural basis of riboflavin binding to Schizosaccharomyces pombe 6,7-dimethyl-8-ribityllumazine synthase. J.Mol.Biol., 318, 2002
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5NE0
| Room temperature in-situ structure of hen egg-white lysozyme from crystals enclosed between ultrathin silicon nitride membranes | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | Authors: | Martiel, I, Opara, N, Arnold, S.A, Braun, T, Stahlberg, H, Makita, M, David, C, Padeste, C. | Deposit date: | 2017-03-09 | Release date: | 2017-06-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Direct protein crystallization on ultrathin membranes for diffraction measurements at X-ray free-electron lasers. J.Appl.Crystallogr., 50, 2017
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6KYZ
| HRV14 3C in complex with single chain antibody YDF | Descriptor: | Genome polyprotein, YDF H chain, YDF L chain | Authors: | Meng, B, Yang, B, Wilson, I.A. | Deposit date: | 2019-09-20 | Release date: | 2020-05-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.845 Å) | Cite: | Inhibitory antibodies identify unique sites of therapeutic vulnerability in rhinovirus and other enteroviruses. Proc.Natl.Acad.Sci.USA, 117, 2020
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1KZA
| Complex of MBP-C and Man-a13-Man | Descriptor: | CALCIUM ION, CHLORIDE ION, MANNOSE-BINDING PROTEIN C, ... | Authors: | Ng, K.K, Kolatkar, A.R, Park-Snyder, S, Feinberg, H, Clark, D.A, Drickamer, K, Weis, W.I. | Deposit date: | 2002-02-06 | Release date: | 2002-07-05 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Orientation of bound ligands in mannose-binding proteins. Implications for multivalent ligand recognition. J.Biol.Chem., 277, 2002
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6BDH
| Crystal structure of human CYP3A4 bound to an inhibitor | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-{[(2S)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}-3-phenylpropan-2-yl]carbamate | Authors: | Sevrioukova, I. | Deposit date: | 2017-10-23 | Release date: | 2017-12-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Interaction of the rationally designed ritonavir-like inhibitors with human cytochrome P450 3A4: Impact of the side group interplay Mol. Pharm., 2017
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1R37
| Alcohol dehydrogenase from sulfolobus solfataricus complexed with NAD(H) and 2-ethoxyethanol | Descriptor: | 2-ETHOXYETHANOL, NAD-dependent alcohol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Esposito, L, Bruno, I, Sica, F, Raia, C.A, Giordano, A, Rossi, M, Mazzarella, L, Zagari, A. | Deposit date: | 2003-09-30 | Release date: | 2004-02-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of a ternary complex of the alcohol dehydrogenase from Sulfolobus solfataricus Biochemistry, 42, 2003
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3HQ2
| BsuCP Crystal Structure | Descriptor: | Bacillus subtilis M32 carboxypeptidase, CHLORIDE ION, FLUORIDE ION, ... | Authors: | Lee, M.M, Isaza, C.E, White, J.D, Chen, R.P.-Y, Liang, G.F.-C, He, H.T.-F, Chan, S.I, Chan, M.K. | Deposit date: | 2009-06-05 | Release date: | 2009-06-30 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Insight into the substrate length restriction of M32 carboxypeptidases: Characterization of two distinct subfamilies. Proteins, 77, 2009
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6B9O
| Structure of GH 38 Jack Bean alpha-mannosidase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-mannosidase from Canavalia ensiformis (jack bean), ZINC ION, ... | Authors: | Howard, E, Cousido-Siah, A, Lepage, M, Bodlenner, A, Mitschler, A, Meli, A, De Riccardis, F, Izzo, I, Podjarny, A, Compain, P. | Deposit date: | 2017-10-11 | Release date: | 2018-09-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.841 Å) | Cite: | Structural Basis of Outstanding Multivalent Effects in Jack Bean alpha-Mannosidase Inhibition. Angew. Chem. Int. Ed. Engl., 57, 2018
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6R8H
| Triosephosphate isomerase from liver fluke (Fasciola hepatica). | Descriptor: | SULFATE ION, Triosephosphate isomerase | Authors: | Ferraro, F, Corvo, I, Bergalli, L, Ilarraz, A, Cabrera, M, Gil, J, Susuki, B, Caffrey, C, Timson, D.J, Robert, X, Guillon, C, Alvarez, G. | Deposit date: | 2019-04-01 | Release date: | 2020-02-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Novel and selective inactivators of Triosephosphate isomerase with anti-trematode activity. Sci Rep, 10, 2020
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4YE3
| Crystal Structure of Multidrug Resistant HIV-1 Protease Clinical Isolate PR20 with Inhibitor GRL-4410A | Descriptor: | (3R,3aS,4R,6aR)-4-methoxyhexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, GLYCEROL, ... | Authors: | Agniswamy, J, Weber, I.T. | Deposit date: | 2015-02-23 | Release date: | 2015-06-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Substituted Bis-THF Protease Inhibitors with Improved Potency against Highly Resistant Mature HIV-1 Protease PR20. J.Med.Chem., 58, 2015
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4RQQ
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6AOR
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6RAD
| Salmonella ATPase InvC with ADP | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ... | Authors: | Bernal, I, Roemermann, J, Flacht, L, Lunelli, M, Uetrecht, C, Kolbe, M. | Deposit date: | 2019-04-05 | Release date: | 2019-08-21 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.796 Å) | Cite: | Structural analysis of ligand-bound states of the Salmonella type III secretion system ATPase InvC. Protein Sci., 28, 2019
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6P5H
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4RMG
| Human Sirt2 in complex with SirReal2 and NAD+ | Descriptor: | 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide, NAD-dependent protein deacetylase sirtuin-2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Rumpf, T, Schiedel, M, Karaman, B, Roessler, C, North, B.J, Lehotzky, A, Olah, J, Ladwein, K.I, Schmidtkunz, K, Gajer, M, Pannek, M, Steegborn, C, Sinclair, D.A, Gerhardt, S, Ovadi, J, Schutkowski, M, Sippl, W, Einsle, O, Jung, M. | Deposit date: | 2014-10-21 | Release date: | 2015-02-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Selective Sirt2 inhibition by ligand-induced rearrangement of the active site. Nat Commun, 6, 2015
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1L9Y
| FEZ-1-Y228A, A Mutant of the Metallo-beta-lactamase from Legionella gormanii | Descriptor: | CHLORIDE ION, FEZ-1 b-lactamase, GLYCEROL, ... | Authors: | Garcia-Saez, I, Mercuri, P.S, Galleni, M, Dideberg, O. | Deposit date: | 2002-03-27 | Release date: | 2003-07-01 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Three-dimensional Structure of FEZ-1, a Monomeric Subclass B3 Metallo-beta-lactamase
from Fluoribacter gormanii, in Native Form and in Complex with -Captopril J.Mol.Biol., 325, 2003
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6RCD
| Octamer C-Domain P140 Mycoplasma genitalium. | Descriptor: | MgPa adhesin | Authors: | Vizarraga, D, Aparicio, D, Perez, R, Illanes, R, Fita, I. | Deposit date: | 2019-04-11 | Release date: | 2020-11-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Alternative conformation of the C-domain of the P140 protein from Mycoplasma genitalium. Acta Crystallogr.,Sect.F, 76, 2020
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1L7N
| TRANSITION STATE ANALOGUE OF PHOSPHOSERINE PHOSPHATASE (ALUMINUM FLUORIDE COMPLEX) | Descriptor: | ALUMINUM FLUORIDE, MAGNESIUM ION, PHOSPHOSERINE PHOSPHATASE, ... | Authors: | Wang, W, Cho, H.S, Kim, R, Jancarik, J, Yokota, H, Nguyen, H.H, Grigoriev, I.V, Wemmer, D.E, Kim, S.H, Berkeley Structural Genomics Center (BSGC) | Deposit date: | 2002-03-16 | Release date: | 2002-06-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural characterization of the reaction pathway in phosphoserine phosphatase: crystallographic "snapshots" of intermediate states. J.Mol.Biol., 319, 2002
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