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2FOH	Structure of porcine pancreatic elastase in 40% trifluoroethanol Descriptor: CALCIUM ION, SULFATE ION, TRIFLUOROETHANOL, ... Authors: Mattos, C, Bellamacina, C.R, Peisach, E, Pereira, A, Vitkup, D, Petsko, G.A, Ringe, D. Deposit date: 2006-01-13 Release date: 2006-04-18 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Multiple solvent crystal structures: Probing binding sites, plasticity and hydration J.Mol.Biol., 357, 2006
2FOS	Human Carbonic Anhydrase II complexed with two-prong inhibitors Descriptor: COPPER (II) ION, Carbonic Anhydrase II, ZINC ION, ... Authors: Jude, K.M, Christianson, D.W. Deposit date: 2006-01-13 Release date: 2006-04-04 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.1 Å) Cite: Ultrahigh resolution crystal structures of human carbonic anhydrases I and II complexed with two-prong inhibitors reveal the molecular basis of high affinity. J.Am.Chem.Soc., 128, 2006
2FMN	Ala177Val mutant of E. coli Methylenetetrahydrofolate Reductase complex with LY309887 Descriptor: 5,10-methylenetetrahydrofolate reductase, FLAVIN-ADENINE DINUCLEOTIDE, N-[(5-{2-[(6R)-2-AMINO-4-OXO-3,4,5,6,7,8-HEXAHYDROPYRIDO[2,3-D]PYRIMIDIN-6-YL]ETHYL}-2-THIENYL)CARBONYL]-L-GLUTAMIC ACID Authors: Pejchal, R, Campbell, E, Guenther, B.D, Lennon, B.W, Matthews, R.G, Ludwig, M.L. Deposit date: 2006-01-09 Release date: 2006-04-25 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.05 Å) Cite: Structural Perturbations in the Ala -> Val Polymorphism of Methylenetetrahydrofolate Reductase: How Binding of Folates May Protect against Inactivation Biochemistry, 45, 2006
2FOG	Structure of porcine pancreatic elastase in 40% trifluoroethanol Descriptor: CALCIUM ION, SULFATE ION, TRIFLUOROETHANOL, ... Authors: Mattos, C, Bellamacina, C.R, Peisach, E, Pereira, A, Vitkup, D, Petsko, G.A, Ringe, D. Deposit date: 2006-01-13 Release date: 2006-04-18 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Multiple solvent crystal structures: Probing binding sites, plasticity and hydration J.Mol.Biol., 357, 2006
2FMO	Ala177Val mutant of E. coli Methylenetetrahydrofolate Reductase Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 5,10-methylenetetrahydrofolate reductase, FLAVIN-ADENINE DINUCLEOTIDE, ... Authors: Pejchal, R, Campbell, E, Guenther, B.D, Lennon, B.W, Matthews, R.G, Ludwig, M.L. Deposit date: 2006-01-09 Release date: 2006-04-25 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.25 Å) Cite: Structural Perturbations in the Ala -> Val Polymorphism of Methylenetetrahydrofolate Reductase: How Binding of Folates May Protect against Inactivation Biochemistry, 45, 2006
2FOD	Structure of porcine pancreatic elastase in 80% ethanol Descriptor: CALCIUM ION, ETHANOL, SULFATE ION, ... Authors: Mattos, C, Bellamacina, C.R, Peisach, E, Pereira, A, Vitkup, D, Petsko, G.A, Ringe, D. Deposit date: 2006-01-13 Release date: 2006-04-18 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2 Å) Cite: Multiple solvent crystal structures: Probing binding sites, plasticity and hydration J.Mol.Biol., 357, 2006
2FOE	Structure of porcine pancreatic elastase in 80% hexane Descriptor: (2S)-HEX-5-ENE-1,2-DIOL, CALCIUM ION, SULFATE ION, ... Authors: Mattos, C, Bellamacina, C.R, Peisach, E, Pereira, A, Vitkup, D, Petsko, G.A, Ringe, D. Deposit date: 2006-01-13 Release date: 2006-04-18 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Multiple solvent crystal structures: Probing binding sites, plasticity and hydration J.Mol.Biol., 357, 2006
2FOC	Structure of porcine pancreatic elastase in 55% dimethylformamide Descriptor: CALCIUM ION, DIMETHYLFORMAMIDE, SULFATE ION, ... Authors: Mattos, C, Bellamacina, C.R, Peisach, E, Pereira, A, Vitkup, D, Petsko, G.A, Ringe, D. Deposit date: 2006-01-13 Release date: 2006-04-18 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2 Å) Cite: Multiple solvent crystal structures: Probing binding sites, plasticity and hydration J.Mol.Biol., 357, 2006
2FYR	Crystal Structure of Norwalk Virus Protease grown in the presence of AEBSF Descriptor: CHLORIDE ION, Chymotrypsin-like cysteine proteinase, MAGNESIUM ION Authors: Zeitler, C.E, Estes, M.K, Venkataram Prasad, B.V. Deposit date: 2006-02-08 Release date: 2006-07-25 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (2.2 Å) Cite: X-ray crystallographic structure of the Norwalk virus protease at 1.5-A resolution. J.Virol., 80, 2006
7M1R	Crystal structure of a 6-phospho-beta-galactosidase from Bacillus licheniformis Descriptor: 1,2-ETHANEDIOL, 6-phospho-beta-galactosidase Authors: Liberato, M.V, Popov, A, Polikarpov, I. Deposit date: 2021-03-14 Release date: 2021-09-08 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.98 Å) Cite: Differences in Gluco and Galacto Substrate-Binding Interactions in a Dual 6P beta-Glucosidase/6P beta-Galactosidase Glycoside Hydrolase 1 Enzyme from Bacillus licheniformis . J.Chem.Inf.Model., 61, 2021
4K4T	Poliovirus polymerase elongation complex (r4_form) Descriptor: GLYCEROL, RNA (5'-R(*AP*AP*GP*UP*CP*UP*CP*CP*AP*GP*GP*UP*CP*UP*CP*UP*CP*GP*GP*AP*AP*A)-3'), RNA (5'-R(*GP*GP*GP*AP*GP*AP*UP*GP*A)-3'), ... Authors: Gong, P, Peersen, O.B. Deposit date: 2013-04-12 Release date: 2013-05-22 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.75 Å) Cite: Structures of coxsackievirus, rhinovirus, and poliovirus polymerase elongation complexes solved by engineering RNA mediated crystal contacts. Plos One, 8, 2013
2RHI	Crystal structure of the 3-MBT domain from human L3MBTL1 in complex with H1.5K27me2 at 1.66 angstrom Descriptor: DI(HYDROXYETHYL)ETHER, Histone H1.5, Lethal(3)malignant brain tumor-like protein, ... Authors: Li, H, Patel, D.J. Deposit date: 2007-10-09 Release date: 2007-12-11 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.66 Å) Cite: Structural Basis for Lower Lysine Methylation State-Specific Readout by MBT Repeats of L3MBTL1 and an Engineered PHD Finger. Mol.Cell, 28, 2007
4GD7	Wild-Type Human Thymidylate Synthase with bound Purpurogallin Descriptor: 1,2-ETHANEDIOL, 2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one, SULFATE ION, ... Authors: Celeste, L.R, Lebioda, L. Deposit date: 2012-07-31 Release date: 2013-07-31 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.29 Å) Cite: Oxidation of Cysteine 195 of Huyman Thymidylate Synthase by Purpurogallin To be published, 2012
3RGS	Structural and kinetic analysis of the beef liver catalase with the ammonia as a ligand Descriptor: AMMONIA, Catalase, PROTOPORPHYRIN IX CONTAINING FE Authors: Purwar, N, Schmidt, M. Deposit date: 2011-04-08 Release date: 2011-05-11 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.99 Å) Cite: Interaction of nitric oxide with catalase: structural and kinetic analysis. Biochemistry, 50, 2011
5TLH	Fructose-1,6-bisphosphate aldolase from rabbit muscle in complex with the inhibitor 2-naphthol 6-bisphosphonate Descriptor: Fructose-bisphosphate aldolase A, GLYCEROL, METHYLENEDIPHOSPHONIC ACID, ... Authors: Heron, P.W, Sygusch, J. Deposit date: 2016-10-11 Release date: 2017-10-25 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.204 Å) Cite: Bisphosphonate Inhibitors of Mammalian Glycolytic Aldolase. J.Med.Chem., 61, 2018
7YZP	Hairpin-bound state of the E. coli Mre11-Rad50 (SbcCD) head complex bound to ADP and a DNA hairpin Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA hairpin (59-MER), MAGNESIUM ION, ... Authors: Gut, F, Kaeshammer, L, Lammens, K, Bartho, J, van de Logt, E, Kessler, B, Hopfner, K.P. Deposit date: 2022-02-21 Release date: 2022-08-17 Last modified: 2024-07-17 Method: ELECTRON MICROSCOPY (4 Å) Cite: Structural mechanism of endonucleolytic processing of blocked DNA ends and hairpins by Mre11-Rad50. Mol.Cell, 82, 2022
3PM0	Structural Characterization of the Complex between Alpha-Naphthoflavone and Human Cytochrome P450 1B1 (CYP1B1) Descriptor: 2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE, Cytochrome P450 1B1, PROTOPORPHYRIN IX CONTAINING FE Authors: Wang, A, Stout, C.D, Johnson, E.F. Deposit date: 2010-11-15 Release date: 2010-12-08 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Structural Characterization of the Complex between {alpha}-Naphthoflavone and Human Cytochrome P450 1B1. J.Biol.Chem., 286, 2011
7Z03	Endonuclease state of the E. coli Mre11-Rad50 (SbcCD) head complex bound to ADP and extended dsDNA Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA (39-MER), MAGNESIUM ION, ... Authors: Gut, F, Kaeshammer, L, Lammens, K, Bartho, J, van de Logt, E, Kessler, B, Hopfner, K.P. Deposit date: 2022-02-21 Release date: 2022-08-17 Last modified: 2024-07-17 Method: ELECTRON MICROSCOPY (3.7 Å) Cite: Structural mechanism of endonucleolytic processing of blocked DNA ends and hairpins by Mre11-Rad50. Mol.Cell, 82, 2022
7YZO	Endonuclease state of the E. coli Mre11-Rad50 (SbcCD) head complex bound to ADP and dsDNA Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA (31-MER), MAGNESIUM ION, ... Authors: Gut, F, Kaeshammer, L, Lammens, K, Bartho, J, van de Logt, E, Kessler, B, Hopfner, K.P. Deposit date: 2022-02-21 Release date: 2022-08-17 Last modified: 2024-07-17 Method: ELECTRON MICROSCOPY (3.4 Å) Cite: Structural mechanism of endonucleolytic processing of blocked DNA ends and hairpins by Mre11-Rad50. Mol.Cell, 82, 2022
5TLE	Fructose-1,6-bisphosphate aldolase from rabbit muscle in complex with the inhibitor 2-phosphate-naphthalene 6-bisphosphonate Descriptor: Fructose-bisphosphate aldolase A, GLYCEROL, {[6-(phosphonooxy)naphthalen-2-yl]methylene}bis(phosphonic acid) Authors: Heron, P.W, Sygusch, J. Deposit date: 2016-10-11 Release date: 2017-10-25 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.576 Å) Cite: Bisphosphonate Inhibitors of Mammalian Glycolytic Aldolase. J.Med.Chem., 61, 2018
4K4X	Coxsackievirus B3 polymerase elongation complex (r2_form), rna Descriptor: GLYCEROL, MAGNESIUM ION, RNA (5'-R(*AP*AP*GP*UP*CP*UP*CP*CP*AP*GP*GP*UP*CP*UP*CP*UP*CP*GP*UP*CP*GP*AP*AP*A)-3'), ... Authors: Gong, P, Peersen, O.B. Deposit date: 2013-04-12 Release date: 2013-05-22 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.37 Å) Cite: Structures of coxsackievirus, rhinovirus, and poliovirus polymerase elongation complexes solved by engineering RNA mediated crystal contacts. Plos One, 8, 2013
5U4S	Crystal structure of a Short chain dehydrogenase from Burkholderia cenocepacia J2315 in complex with NADP. Descriptor: BENZOIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PHOSPHATE ION, ... Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2016-12-06 Release date: 2017-01-18 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Crystal structure of a Short chain dehydrogenase from Burkholderia cenocepacia J2315 in complex with NADP to be published
4GPQ	Structural insights into inhibition of the bivalent menin-MLL interaction by small molecules in leukemia Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, Menin, ... Authors: Shi, A, Murai, M.J, He, S, Lund, G.L, Hartley, T, Purohit, T, Reddy, G, Chruszcz, M, Grembecka, J, Cierpicki, T. Deposit date: 2012-08-21 Release date: 2012-09-19 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.46 Å) Cite: Structural insights into inhibition of the bivalent menin-MLL interaction by small molecules in leukemia. Blood, 120, 2012
3RYY	Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase Descriptor: Carbonic anhydrase 2, N-propyl-4-sulfamoylbenzamide, ZINC ION Authors: Snyder, P.W, Bai, S, Heroux, A, Whitesides, G.W. Deposit date: 2011-05-11 Release date: 2011-08-10 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.16 Å) Cite: Fluoroalkyl and alkyl chains have similar hydrophobicities in binding to the "hydrophobic wall" of carbonic anhydrase. J.Am.Chem.Soc., 133, 2011
3RZ8	Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase Descriptor: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, N-hexyl-4-sulfamoylbenzamide, ... Authors: Snyder, P.W, Bai, S, Heroux, A, Whitesides, G.W. Deposit date: 2011-05-11 Release date: 2011-08-10 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Fluoroalkyl and alkyl chains have similar hydrophobicities in binding to the "hydrophobic wall" of carbonic anhydrase. J.Am.Chem.Soc., 133, 2011

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