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8ORC	Mus Musculus Acetylcholinesterase in complex with AL237 Descriptor: 1-[2-(dimethylamino)ethyl]-3-(2-methoxyphenyl)thiourea, 2,5,8,11,14,17,20,23-OCTAOXAPENTACOSAN-25-OL, 2-(2-METHOXYETHOXY)ETHANOL, ... Authors: Ekstrom, F.E, Linusson, A. Deposit date: 2023-04-13 Release date: 2024-04-24 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Enzyme Dynamics Determine Potency and Selectivity of Inhibitors Targeting Disease-Transmitting Mosquitoes To Be Published
4BG5	Lyme disease associated outer surface protein BBA65 from Borrelia burgdorferi Descriptor: BBA65 Authors: Brangulis, K, Petrovskis, I, Kazaks, A, Tars, K. Deposit date: 2013-03-22 Release date: 2014-04-09 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (3.4 Å) Cite: Structural analysis of the outer surface proteins from Borrelia burgdorferi paralogous gene family 54 that are thought to be the key players in the pathogenesis of Lyme disease J.Struct.Biol., 2020
4BFS	Crystal structure of Mycobacterium tuberculosis PanK in complex with a triazole inhibitory compound (1a) Descriptor: N-[1-(5-{[2-(4-FLUOROPHENOXY)ETHYL]SULFANYL}-4-METHYL-4H-1,2,4-TRIAZOL-3-YL)ETHYL]-2-(TRIFLUOROMETHYL)BENZAMIDE, PANTOTHENATE KINASE Authors: Bjorkelid, C, Bergfors, T, Jones, T.A. Deposit date: 2013-03-22 Release date: 2013-05-15 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Structural and Biochemical Characterization of Compounds Inhibiting Mycobacterium Tuberculosis Pank J.Biol.Chem., 288, 2013
8OZ3	Crystal structure of scFv ATOR 1017 bound to human 4-1BB Descriptor: Single chain Fv, Tumor necrosis factor receptor superfamily member 9 Authors: Hakansson, M, Von Schantz, L, Rose, N. Deposit date: 2023-05-08 Release date: 2024-03-13 Method: X-RAY DIFFRACTION (3.1 Å) Cite: ATOR-1017 (evunzekibart), an Fc-gamma receptor conditional 4-1BB agonist designed for optimal safety and efficacy, activates exhausted T cells in combination with anti-PD-1. Cancer Immunol.Immunother., 72, 2023
8P43	Structure of the MHC class Ib molecule Qa-1b in complex with Q001 peptide Descriptor: Beta-2-microglobulin, H-2 class I histocompatibility antigen, Qa-1b, ... Authors: Sala, B.M, Achour, A. Deposit date: 2023-05-19 Release date: 2024-06-12 Method: X-RAY DIFFRACTION (2.43 Å) Cite: MHC-E is a convergent checkpoint ligand for LILRB1 on macrophages and during inflammation for NKG2A on lymphocytes To Be Published
4B4F	Thermobifida fusca Cel6B(E3) co-crystallized with cellobiose Descriptor: BETA-1,4-EXOCELLULASE, CALCIUM ION, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, ... Authors: Sandgren, M, Wu, M, Stahlberg, J, Karkehabadi, S, Mitchinson, C, Kelemen, B.R, Larenas, E.A, Hansson, H. Deposit date: 2012-07-30 Release date: 2012-12-19 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.2 Å) Cite: The Structure of a Bacterial Cellobiohydrolase: The Catalytic Core of the Thermobifida Fusca Family Gh6 Cellobiohydrolase Cel6B. J.Mol.Biol., 425, 2013
4AV3	Crystal structure of Thermotoga Maritima sodium pumping membrane integral pyrophosphatase with metal ions in active site Descriptor: CALCIUM ION, K(+)-STIMULATED PYROPHOSPHATE-ENERGIZED SODIUM PUMP, MAGNESIUM ION Authors: Kajander, T, Kogan, K, Kellosalo, J, Pokharel, K, Goldman, A. Deposit date: 2012-05-23 Release date: 2012-08-08 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (2.6 Å) Cite: The Structure and Catalytic Cycle of a Sodium-Pumping Pyrophosphatase. Science, 337, 2012
8Q8H	Crystal Structure of Apo beta-D-GalNAcase from Niabella aurantiaca (Structure 2) Descriptor: SODIUM ION, SULFATE ION, beta-D-GalNAcase from Niabella aurantiaca DSM 17617 Authors: Morth, J.P, Moreno Prieto, E.S, Siebenhaar, S. Deposit date: 2023-08-18 Release date: 2024-05-15 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Characterization and structural study of a novel beta-N-acetylgalactosaminidase from Niabella aurantiaca. Febs J., 291, 2024
4BBO	Crystal structure of core-bradavidin Descriptor: ACETATE ION, BIOTIN, BLR5658 PROTEIN, ... Authors: Airenne, T.T, Johnson, M.S, Maatta, J.A.E, Hytonen, V.H, Kulomaa, M.S. Deposit date: 2012-09-27 Release date: 2013-10-16 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Crystal Structure of Core-Bradavidin To be Published
4BHI	Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with 3-(1,1,1,2-Tetramethylhydrazin-1-ium-2-yl)propanoate Descriptor: 3-(1,1,1,2-TETRAMETHYLHYDRAZIN-1-IUM-2-YL)PROPANOATE, GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, ... Authors: Tars, K, Leitans, J, Kazaks, A. Deposit date: 2013-04-03 Release date: 2014-03-12 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.15 Å) Cite: Targeting Carnitine Biosynthesis: Discovery of New Inhibitors Against Gamma-Butyrobetaine Hydroxylase. J.Med.Chem., 57, 2014
4BJ0	Xyloglucan binding module (CBM4-2 X2-L110F) in complex with branched xyloses Descriptor: CALCIUM ION, XYLANASE, alpha-D-glucopyranose, ... Authors: Schantz, L, Hakansson, M, Logan, D.T, Nordberg-Karlsson, E, Ohlin, M. Deposit date: 2013-04-15 Release date: 2014-04-23 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1 Å) Cite: Carbohydrate Binding Module Recognition of Xyloglucan Defined by Polar Contacts with Branching Xyloses and Ch-Pi Interactions. Proteins, 82, 2014
4BDV	CRYSTAL STRUCTURE OF A TRUNCATED B-DOMAIN HUMAN FACTOR VIII Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... Authors: Svensson, L.A, Thim, L, Olsen, O.H, Nicolaisen, E.M. Deposit date: 2012-10-08 Release date: 2013-05-15 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (3.98 Å) Cite: Evaluation of the Metal Binding Sites in a Recombinant Coagulation Factor Viii Identifies Two Sites with Unique Metal Binding Properties. Biol.Chem., 394, 2013
4BCW	Carbonic anhydrase IX mimic in complex with (E)-2-(5-bromo-2- hydroxyphenyl)ethenesulfonic acid Descriptor: (E)-2-(5-BROMO-2-HYDROXYPHENYL)ETHENESULFONIC ACID, CARBONIC ANHYDRASE 2, ZINC ION Authors: Tars, K, Leitans, J, Kazaks, A. Deposit date: 2012-10-03 Release date: 2013-02-06 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Sulfocoumarins (1,2-Benzoxathiine-2,2-Dioxides): A Class of Potent and Isoform-Selective Inhibitors of Tumor-Associated Carbonic Anhydrases. J.Med.Chem., 56, 2013
4BHF	Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with 4-(Trimethylammonio)pentanoate Descriptor: 4-(Trimethylammonio)pentanoic acid, GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, ... Authors: Tars, K, Leitans, J, Kazaks, A. Deposit date: 2013-04-02 Release date: 2014-03-12 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.05 Å) Cite: Targeting Carnitine Biosynthesis: Discovery of New Inhibitors Against Gamma-Butyrobetaine Hydroxylase. J.Med.Chem., 57, 2014
4AXZ	Borrelia burgdorferi outer surface lipoprotein BBA73 Descriptor: PUTATIVE ANTIGEN P35 Authors: Brangulis, K, Petrovskis, I, Kazaks, A, Ranka, R, Baumanis, V, Tars, K. Deposit date: 2012-06-15 Release date: 2013-05-08 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.09 Å) Cite: Structural Characterization of the Borrelia Burgdorferi Outer Surface Protein Bba73 Implicates Dimerization as a Functional Mechanism. Biochem.Biophys.Res.Commun., 434, 2013
1IWD	Proposed Amino Acid Sequence and the 1.63 Angstrom X-ray Crystal Structure of a Plant Cysteine Protease Ervatamin B: Insight into the Structural Basis of its Stability and Substrate Specificity. Descriptor: ERVATAMIN B, THIOSULFATE Authors: Chakrabarti, C, Biswas, S, Dattagupta, J.K. Deposit date: 2002-05-02 Release date: 2003-05-06 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.63 Å) Cite: Proposed amino acid sequence and the 1.63 A X-ray crystal structure of a plant cysteine protease, ervatamin B: Some insights into the structural basis of its stability and substrate specificity Proteins, 51, 2003
4BFC	Crystal structure of the C-terminal CMP-Kdo binding domain of WaaA from Acinetobacter baumannii Descriptor: 3-DEOXY-D-MANNO-OCTULOSONIC-ACID TRANSFERASE, BETA-MERCAPTOETHANOL, SULFATE ION Authors: Kimbung, Y.R, Hakansson, M, Logan, D, Wang, P.F, Schulz, M, Mamat, U, Woodard, R.W. Deposit date: 2013-03-18 Release date: 2014-04-02 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Crystal Structure of the C-Terminal Cmp-Kdo Binding Domain of Waaa from Acinetobacter Baumannii To be Published
4BF1	Three dimensional structure of human carbonic anhydrase II in complex with 5-(1-naphthalen-1-yl-1,2,3-triazol-4-yl)thiophene-2-sulfonamide Descriptor: 5-(1-naphthalen-1-yl-1,2,3-triazol-4-yl)thiophene-2-sulfonamide, CARBONIC ANHYDRASE 2, SODIUM ION, ... Authors: Tars, K, Leitans, J, Zalubovskis, R. Deposit date: 2013-03-13 Release date: 2014-01-22 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.35 Å) Cite: 5-Substituted-(1,2,3-Triazol-4-Yl)Thiophene-2-Sulfonamides Strongly Inhibit Human Carbonic Anhydrases I, II, Ix and Xii: Solution and X-Ray Crystallographic Studies. Bioorg.Med.Chem., 21, 2013
4BG1	Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with 1-(3-Carboxypropyl)-1-methylpyrrolidin-1-ium chloride Descriptor: 1-(3-carboxypropyl)-1-methylpyrrolidin-1-ium, GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, ... Authors: Tars, K, Leitans, J, Kazaks, A. Deposit date: 2013-03-22 Release date: 2014-03-12 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.89 Å) Cite: Targeting Carnitine Biosynthesis: Discovery of New Inhibitors Against Gamma-Butyrobetaine Hydroxylase. J.Med.Chem., 57, 2014
3ZU1	Structure of LysB29(Nepsilon omega-carboxyheptadecanoyl) des(B30) Human Insulin Descriptor: CHLORIDE ION, INSULIN A CHAIN, INSULIN B CHAIN, ... Authors: Schluckebier, G, Whittingham, J. Deposit date: 2011-07-13 Release date: 2011-08-03 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Structure of Lysb29(Nepsilon Omega-Carboxyheptadecanoyl) Des(B30) Human Insulin To be Published
4BGM	Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with 3-Carboxy-N-(2-fluoroethyl)-N,N-dimethylpropan-1- aminium chloride Descriptor: 3-Carboxy-N-(2-fluoroethyl)-N,N-dimethylpropan-1-aminium, GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, ... Authors: Tars, K, Leitans, J, Kazaks, A. Deposit date: 2013-03-27 Release date: 2014-03-12 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Targeting Carnitine Biosynthesis: Discovery of New Inhibitors Against Gamma-Butyrobetaine Hydroxylase. J.Med.Chem., 57, 2014
4BHG	Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with 3-(1-Ethyl-1,1-dimethylhydrazin-1-ium-2-yl)propanoate Descriptor: 3-(1-Ethyl-1,1-dimethylhydrazin-1-ium-2-yl)propanoic acid, GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, ... Authors: Tars, K, Leitans, J, Kazaks, A. Deposit date: 2013-04-02 Release date: 2014-04-16 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Three Dimensional Structure of Human Gamma-Butyrobetaine Hydroxylase in Complex with 3-(1-Ethyl-1,1-Dimethylhydrazin-1-Ium-2-Yl)Propanoate To be Published
4BB0	Structure of a putative epoxide hydrolase Q244E mutant from Pseudomonas aeruginosa, with bound MFA. Descriptor: PROBABLE EPOXIDE HYDROLASE, SULFATE ION, fluoroacetic acid Authors: Schmidberger, J.W, Schnell, R, Schneider, G. Deposit date: 2012-09-17 Release date: 2013-10-09 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.77 Å) Cite: Structure of a Putative Epoxide Hydrolase Mutant To be Published
4B2F	N-terminal deletion mutant of an outer surface protein BBA73 from Borrelia burgdorferi Descriptor: PUTATIVE ANTIGEN P35 Authors: Brangulis, K, Petrovskis, I, Kazaks, A, Tars, K. Deposit date: 2012-07-15 Release date: 2013-05-08 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.88 Å) Cite: Structural Characterization of the Borrelia Burgdorferi Outer Surface Protein Bba73 Implicates Dimerization as a Functional Mechanism. Biochem.Biophys.Res.Commun., 434, 2013
3ZZ1	Crystal structure of a glycoside hydrolase family 3 beta-glucosidase, Bgl1 from Hypocrea jecorina at 2.1A resolution. Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-D-GLUCOSIDE GLUCOHYDROLASE, GLYCEROL Authors: Sandgren, M, Kaper, T, Mikkelsen, N.E, Hansson, H, Piens, K, Gudmundsson, M, Larenas, E, Kelemen, B, Karkehabadi, S. Deposit date: 2011-08-31 Release date: 2012-12-12 Last modified: 2020-07-29 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Biochemical Characterization and Crystal Structures of a Fungal Family 3 Beta-Glucosidase, Cel3A from Hypocrea Jecorina. J.Biol.Chem., 289, 2014

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