6EZR
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5A3A
| Crystal structure of the ADP-ribosylating sirtuin (SirTM) from Streptococcus pyogenes (Apo form) | Descriptor: | 1,2-ETHANEDIOL, GLYCINE, SIR2 FAMILY PROTEIN, ... | Authors: | Rack, J.G.M, Morra, R, Barkauskaite, E, Kraehenbuehl, R, Ariza, A, Qu, Y, Ortmayer, M, Leidecker, O, Cameron, D.R, Matic, I, Peleg, A.Y, Leys, D, Traven, A, Ahel, I. | Deposit date: | 2015-05-28 | Release date: | 2015-07-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Identification of a Class of Protein Adp-Ribosylating Sirtuins in Microbial Pathogens. Mol.Cell, 59, 2015
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4LLS
| Crystal structure of a farnesyl diphosphate synthase from Roseobacter denitrificans OCh 114, target EFI-509393, with IPP, GSPP, and calcium bound in active site | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, CALCIUM ION, GERANYL S-THIOLODIPHOSPHATE, ... | Authors: | Kim, J, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Stead, M, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-07-09 | Release date: | 2013-07-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of a farnesyl diphosphate synthase from Roseobacter denitrificans OCh 114, target EFI-509393, with IPP, GSPP and calcium bound in active site To be Published
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6F0I
| GLIC mutant E26A | Descriptor: | ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | Authors: | Hu, H.D, Delarue, M. | Deposit date: | 2017-11-20 | Release date: | 2018-01-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Full mutational mapping of titratable residues helps to identify proton-sensors involved in the control of channel gating in the Gloeobacter violaceus pentameric ligand-gated ion channel. PLoS Biol., 15, 2017
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5AKD
| MutS in complex with the N-terminal domain of MutL - crystal form 3 | Descriptor: | DNA MISMATCH REPAIR PROTEIN MUTL, DNA MISMATCH REPAIR PROTEIN MUTS, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Groothuizen, F.S, Winkler, I, Cristovao, M, Fish, A, Winterwerp, H.H.K, Reumer, A, Marx, A.D, Hermans, N, Nicholls, R.A, Murshudov, G.N, Lebbink, J.H.G, Friedhoff, P, Sixma, T.K. | Deposit date: | 2015-03-03 | Release date: | 2015-07-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (7.6 Å) | Cite: | MutS/MutL crystal structure reveals that the MutS sliding clamp loads MutL onto DNA. Elife, 4, 2015
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6F14
| Crystal structure of the cAMP-dependent protein kinase A cocrystallized with isoquinoline and PKI (5-24) | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, ISOQUINOLINE, cAMP-dependent protein kinase catalytic subunit alpha, ... | Authors: | Oebbeke, M, Wienen-Schmidt, B, Heine, A, Klebe, G. | Deposit date: | 2017-11-21 | Release date: | 2018-12-12 | Method: | X-RAY DIFFRACTION (1.867 Å) | Cite: | Fragment based drug design - Small chemical changes of fragments effecting big changes in binding To Be Published
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4LMA
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7ZJP
| Optimization of TEAD P-Site Binding Fragment Hit into In Vivo Active Lead MSC-4106 | Descriptor: | 2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxylic acid, SULFATE ION, Transcriptional enhancer factor TEF-1 | Authors: | Freire, F, Heinrich, T, Petersson, C, Schneider, R, Garg, S, Schwarz, D, Gunera, J, Seshire, A, Koetzner, L, Schlesiger, S, Musil, D, Schilke, H, Doerfel, B, Diehl, P, Boepple, P, Lemos, A.R, Sousa, P.M.F, Freire, F, Bandeiras, T.M, Carswell, E, Pearson, N, Sirohi, S, Hooker, M, Trivier, E, Broome, R, Balsiger, A, Crowden, A, Dillon, C, Wienke, D. | Deposit date: | 2022-04-11 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Optimization of TEAD P-Site Binding Fragment Hit into In Vivo Active Lead MSC-4106 . J.Med.Chem., 65, 2022
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6HRA
| Cryo-EM structure of the KdpFABC complex in an E1 outward-facing state (state 1) | Descriptor: | POTASSIUM ION, Potassium-transporting ATPase ATP-binding subunit, Potassium-transporting ATPase KdpC subunit, ... | Authors: | Stock, C, Hielkema, L, Tascon, I, Wunnicke, D, Oostergetel, G.T, Azkargorta, M, Paulino, C, Haenelt, I. | Deposit date: | 2018-09-26 | Release date: | 2018-12-05 | Last modified: | 2019-12-11 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Cryo-EM structures of KdpFABC suggest a K+transport mechanism via two inter-subunit half-channels. Nat Commun, 9, 2018
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6HRJ
| Apo - YndL | Descriptor: | CITRATE ANION, SULFATE ION, YndL, ... | Authors: | Ramaswamy, S, Rasheed, M, Morelli, C, Calvio, C, Sutton, B, Pastore, A. | Deposit date: | 2018-09-27 | Release date: | 2018-10-10 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The structure of PghL hydrolase bound to its substrate poly-gamma-glutamate. FEBS J., 285, 2018
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6FJ7
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4LDF
| Crystal Structure of CpBRD2 from cryptosporidium, cgd3_3190 | Descriptor: | GCN5 like acetylase + bromodomain, GLYCEROL, UNKNOWN ATOM OR ION | Authors: | Wernimont, A.K, Loppnau, P, Fonseca, M, Knapp, S, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Hui, R, Mottaghi, K, Structural Genomics Consortium (SGC) | Deposit date: | 2013-06-24 | Release date: | 2013-07-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of CpBRD2 from cryptosporidium, cgd3_3190 TO BE PUBLISHED
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1L5V
| Crystal Structure of the Maltodextrin Phosphorylase complexed with Glucose-1-phosphate | Descriptor: | 1-O-phosphono-alpha-D-glucopyranose, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MALTODEXTRIN PHOSPHORYLASE, ... | Authors: | Geremia, S, Campagnolo, M, Schinzel, R, Johnson, L.N. | Deposit date: | 2002-03-08 | Release date: | 2002-04-10 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Enzymatic catalysis in crystals of Escherichia coli maltodextrin phosphorylase J.Mol.Biol., 322, 2002
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6FJB
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7ZPG
| CRYSTAL STRUCTURE OF HUMAN MONOGLYCERIDE LIPASE WITH LIGAND | Descriptor: | Monoglyceride lipase, [(7R,9aR)-7-(4-chlorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(2-bromanyl-3-methoxy-phenyl)methanone | Authors: | Kemble, A, Hornsperger, B, Ruf, I, Richter, H, Benz, J, Kuhn, B, Heer, D, Wittwer, M, Engelhardt, B, Grether, U, Collin, L, Leibrock, L. | Deposit date: | 2022-04-27 | Release date: | 2022-09-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | A potent and selective inhibitor for the modulation of MAGL activity in the neurovasculature. Plos One, 17, 2022
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6HTX
| WT Hepatitis B core protein capsid | Descriptor: | Capsid protein | Authors: | Bottcher, B, Nassal, M. | Deposit date: | 2018-10-05 | Release date: | 2018-12-26 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (2.66 Å) | Cite: | Structure of Mutant Hepatitis B Core Protein Capsids with Premature Secretion Phenotype. J. Mol. Biol., 430, 2018
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6F2Y
| Crystal structure of ectonucleotide phosphodiesterase/pyrophosphatase-3 (NPP3) in complex with Ap4A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BIS(ADENOSINE)-5'-TETRAPHOSPHATE, ... | Authors: | Dohler, C, Zebisch, M, Strater, N. | Deposit date: | 2017-11-27 | Release date: | 2018-08-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure and substrate binding mode of ectonucleotide phosphodiesterase/pyrophosphatase-3 (NPP3). Sci Rep, 8, 2018
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5AFB
| Crystal structure of the Latrophilin3 Lectin and Olfactomedin Domains | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ... | Authors: | Jackson, V.A, del Toro, D, Carrasquero, M, Roversi, P, Harlos, K, Klein, R, Seiradake, E. | Deposit date: | 2015-01-21 | Release date: | 2015-03-18 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Structural Basis of Latrophilin-Flrt Interaction. Structure, 23, 2015
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7ZTS
| Saccharomyces cerevisiae L-BC virus, open particle, asymmetric reconstruction | Descriptor: | Major capsid protein | Authors: | Grybchuk, D, Prochazkova, M, Fuzik, T, Konovalovas, A, Serva, S, Yurchenko, V, Plevka, P. | Deposit date: | 2022-05-11 | Release date: | 2022-09-21 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (16 Å) | Cite: | Structures of L-BC virus and its open particle provide insight into Totivirus capsid assembly. Commun Biol, 5, 2022
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2CDZ
| CRYSTAL STRUCTURE OF THE HUMAN P21-ACTIVATED KINASE 4 IN COMPLEX WITH CGP74514A | Descriptor: | CHLORIDE ION, N2-[(1R,2S)-2-AMINOCYCLOHEXYL]-N6-(3-CHLOROPHENYL)-9-ETHYL-9H-PURINE-2,6-DIAMINE, SERINE/THREONINE-PROTEIN KINASE PAK 4, ... | Authors: | Debreczeni, J.E, Ugochukwu, E, Eswaran, J, Filippakopoulos, P, Das, S, Fedorov, O, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, von Delft, F, Knapp, S. | Deposit date: | 2006-01-31 | Release date: | 2006-02-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structures of the P21-Activated Kinases Pak4, Pak5, and Pak6 Reveal Catalytic Domain Plasticity of Active Group II Paks. Structure, 15, 2007
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5AK2
| Oxyphenylpropenoic acids as Oral Selective Estrogen Receptor Down- Regulators. | Descriptor: | (E)-3-[4-[[3-(4-fluoranyl-2-methyl-phenyl)-7-oxidanyl-2-oxidanylidene-chromen-4-yl]methyl]phenyl]prop-2-enoic acid, ESTROGEN RECEPTOR | Authors: | Degorce, S, Bailey, A, Callis, R, De Savi, C, Ducray, R, Lamot, P, MacFaul, P, Maudet, M, Norman, R.A, Scott, J.S, Phillips, C. | Deposit date: | 2015-02-27 | Release date: | 2015-04-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Investigation of (E)-3-[4-(2-Oxo-3-Aryl-Chromen-4-Yl)Oxyphenyl]Acrylic Acids as Oral Selective Estrogen Receptor Down-Regulators. J.Med.Chem., 58, 2015
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1L7H
| Crystal structure of R292K mutant influenza virus neuraminidase in complex with BCX-1812 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID, ... | Authors: | Smith, B.J, McKimm-Breshkin, J.L, McDonald, M, Fernley, R.T, Varghese, J.N, Colman, P.M. | Deposit date: | 2002-03-15 | Release date: | 2002-05-29 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural studies of the resistance of influenza virus neuramindase to inhibitors. J.Med.Chem., 45, 2002
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3M9U
| Crystal structure of geranylgeranyl pyrophosphate synthase from lactobacillus brevis atcc 367 | Descriptor: | Farnesyl-diphosphate synthase, GLYCEROL | Authors: | Patskovsky, Y, Toro, R, Rutter, M, Sauder, J.M, Burley, S.K, Almo, S.C, New York Structural GenomiX Research Consortium (NYSGXRC), New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2010-03-22 | Release date: | 2010-04-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Crystal Structure of Geranylgeranyl Pyrophosphate Synthase from Lactobacillus Brevis Atcc 367 To be Published
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3MAM
| A molecular switch changes the low to the high affinity state in the substrate binding protein AfProX | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Osmoprotection protein (ProX), ... | Authors: | Tschapek, B, Pittelkow, M, Bremer, E, Schmitt, L, Smits, S.H. | Deposit date: | 2010-03-24 | Release date: | 2011-04-06 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Arg149 Is Involved in Switching the Low Affinity, Open State of the Binding Protein AfProX into Its High Affinity, Closed State. J.Mol.Biol., 411, 2011
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5AHM
| IMP-bound form of the DeltaCBS mutant of IMPDH from Pseudomonas aeruginosa | Descriptor: | INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE, INOSINIC ACID, PHOSPHATE ION | Authors: | Labesse, G, Alexandre, T, Gelin, M, Haouz, A, Munier-Lehmann, H. | Deposit date: | 2015-02-06 | Release date: | 2015-07-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Crystallographic Studies of Two Variants of Pseudomonas Aeruginosa Impdh with Impaired Allosteric Regulation Acta Crystallogr.,Sect.D, 71, 2015
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