8P7Q
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![BU of 8p7q by Molmil](/molmil-images/mine/8p7q) | The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes | Descriptor: | 1-ethyl-1-methyl-cyclohexane, FORMIC ACID, GLYCEROL, ... | Authors: | Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L. | Deposit date: | 2023-05-30 | Release date: | 2023-10-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase. Acta Crystallogr D Struct Biol, 79, 2023
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8P7R
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![BU of 8p7r by Molmil](/molmil-images/mine/8p7r) | The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes | Descriptor: | 1-ethyl-1-methyl-cyclohexane, FORMIC ACID, GLYCEROL, ... | Authors: | Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L. | Deposit date: | 2023-05-30 | Release date: | 2023-10-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase. Acta Crystallogr D Struct Biol, 79, 2023
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8P7M
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![BU of 8p7m by Molmil](/molmil-images/mine/8p7m) | The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes | Descriptor: | FORMIC ACID, GLYCEROL, METHYLPHOSPHONIC ACID ESTER GROUP, ... | Authors: | Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L. | Deposit date: | 2023-05-30 | Release date: | 2023-10-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase. Acta Crystallogr D Struct Biol, 79, 2023
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8P7H
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![BU of 8p7h by Molmil](/molmil-images/mine/8p7h) | The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes | Descriptor: | 1,2-ETHANEDIOL, 2-methylidene-1,3-dioxane-4,4-diol, FORMIC ACID, ... | Authors: | Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L. | Deposit date: | 2023-05-30 | Release date: | 2023-10-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.774 Å) | Cite: | The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase. Acta Crystallogr D Struct Biol, 79, 2023
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8P7U
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![BU of 8p7u by Molmil](/molmil-images/mine/8p7u) | The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes | Descriptor: | 1-ethyl-1-methyl-cyclohexane, FORMIC ACID, GLYCEROL, ... | Authors: | Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L. | Deposit date: | 2023-05-31 | Release date: | 2023-10-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase. Acta Crystallogr D Struct Biol, 79, 2023
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8P7T
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![BU of 8p7t by Molmil](/molmil-images/mine/8p7t) | The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes | Descriptor: | 1-ethyl-1-methyl-cyclohexane, FORMIC ACID, GLYCEROL, ... | Authors: | Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L. | Deposit date: | 2023-05-31 | Release date: | 2023-10-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase. Acta Crystallogr D Struct Biol, 79, 2023
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8P7F
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![BU of 8p7f by Molmil](/molmil-images/mine/8p7f) | The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes | Descriptor: | Parathion hydrolase, ZINC ION | Authors: | Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L. | Deposit date: | 2023-05-30 | Release date: | 2023-11-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase. Acta Crystallogr D Struct Biol, 79, 2023
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6HTY
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![BU of 6hty by Molmil](/molmil-images/mine/6hty) | PXR in complex with P2X4 inhibitor compound 25 | Descriptor: | (2~{R})-~{N}-[4-(3-chloranylphenoxy)-3-sulfamoyl-phenyl]-2-phenyl-propanamide, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Hillig, R.C, Puetter, V, Werner, S, Mesch, S, Laux-Biehlmann, A, Braeuer, N, Dahloef, H, Klint, J, ter Laak, A, Pook, E, Neagoe, I, Nubbemeyer, R, Schulz, S. | Deposit date: | 2018-10-05 | Release date: | 2019-12-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Discovery and Characterization of the Potent and Selective P2X4 InhibitorN-[4-(3-Chlorophenoxy)-3-sulfamoylphenyl]-2-phenylacetamide (BAY-1797) and Structure-Guided Amelioration of Its CYP3A4 Induction Profile. J.Med.Chem., 62, 2019
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8Q6S
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![BU of 8q6s by Molmil](/molmil-images/mine/8q6s) | A carbohydrate esterase family 15 (CE15) glucuronoyl esterase from Phocaeicola vulgatus ATCC 8482 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, Putative acetyl xylan esterase, ... | Authors: | Mazurkewich, S, Seveso, A, Banerjee, S, Lo Leggio, L, Larsbrink, J. | Deposit date: | 2023-08-14 | Release date: | 2023-12-13 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Polysaccharide utilization loci from Bacteroidota encode CE15 enzymes with possible roles in cleaving pectin-lignin bonds. Appl.Environ.Microbiol., 90, 2024
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7ZE9
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![BU of 7ze9 by Molmil](/molmil-images/mine/7ze9) | Structure of an AA16 LPMO-like protein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, COPPER (II) ION, ... | Authors: | Huang, Z, Banerjee, S, Muderspach, S.J, Sun, P, van Berkel, W.J.H, Kabel, M.A, Lo Leggio, L. | Deposit date: | 2022-03-30 | Release date: | 2023-03-15 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.646 Å) | Cite: | AA16 Oxidoreductases Boost Cellulose-Active AA9 Lytic Polysaccharide Monooxygenases from Myceliophthora thermophila. Acs Catalysis, 13, 2023
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7Z0L
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![BU of 7z0l by Molmil](/molmil-images/mine/7z0l) | IL-27 signalling complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-27 receptor subunit alpha, ... | Authors: | Jin, Y, Gardner, S, Bubeck, D. | Deposit date: | 2022-02-23 | Release date: | 2022-07-27 | Last modified: | 2022-10-19 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structural insights into the assembly and activation of the IL-27 signaling complex. Embo Rep., 23, 2022
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8P7K
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![BU of 8p7k by Molmil](/molmil-images/mine/8p7k) | The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes | Descriptor: | (2~{R})-2-methylpentanedioic acid, FORMIC ACID, Parathion hydrolase, ... | Authors: | Dym, O, Aggawal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L. | Deposit date: | 2023-05-30 | Release date: | 2023-06-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.929 Å) | Cite: | The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase. Acta Crystallogr D Struct Biol, 79, 2023
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7ZJ2
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![BU of 7zj2 by Molmil](/molmil-images/mine/7zj2) | |
6FRZ
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![BU of 6frz by Molmil](/molmil-images/mine/6frz) | Phosphotriesterase PTE_A53_7 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-methylcyclohexane-1,1,3,3-tetrol, DI(HYDROXYETHYL)ETHER, ... | Authors: | Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J. | Deposit date: | 2018-02-18 | Release date: | 2019-03-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Phosphotriesterase
PTE_A53_7 To Be Published
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4QX6
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![BU of 4qx6 by Molmil](/molmil-images/mine/4qx6) | CRYSTAL STRUCTURE OF GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE FROM STREPTOCOCCUS AGALACTIAE NEM316 at 2.46 ANGSTROM RESOLUTION | Descriptor: | 1,2-ETHANEDIOL, Glyceraldehyde 3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Ayres, C.A, Schormann, N, Banerjee, S, Chattopadhyay, D. | Deposit date: | 2014-07-18 | Release date: | 2014-10-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Structure of Streptococcus agalactiae glyceraldehyde-3-phosphate dehydrogenase holoenzyme reveals a novel surface. Acta Crystallogr F Struct Biol Commun, 70, 2014
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6G3M
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![BU of 6g3m by Molmil](/molmil-images/mine/6g3m) | Phosphotriesterase PTE_C23M_4 | Descriptor: | 1-ethyl-1-methyl-cyclohexane, CHLORIDE ION, FORMIC ACID, ... | Authors: | Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J. | Deposit date: | 2018-03-26 | Release date: | 2019-04-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.665 Å) | Cite: | Phosphotriesterase
PTE_C23M_4 To Be Published
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4RUA
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![BU of 4rua by Molmil](/molmil-images/mine/4rua) | Crystal structure of Y-family DNA polymerase Dpo4 bypassing a MeFapy-dG adduct | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase IV, ... | Authors: | Patra, A, Banerjee, S, Stone, M.P, Egli, M. | Deposit date: | 2014-11-18 | Release date: | 2015-08-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.07 Å) | Cite: | Structural Basis for Error-Free Bypass of the 5-N-Methylformamidopyrimidine-dG Lesion by Human DNA Polymerase eta and Sulfolobus solfataricus P2 Polymerase IV. J.Am.Chem.Soc., 137, 2015
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4TNW
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![BU of 4tnw by Molmil](/molmil-images/mine/4tnw) | C. elegans glutamate-gated chloride channel (GluCl) in complex with Fab and POPC in a lipid-modulated conformation | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Avermectin-sensitive glutamate-gated chloride channel GluCl alpha, ... | Authors: | Althoff, T, Hibbs, R.E, Banerjee, S, Gouaux, E. | Deposit date: | 2014-06-05 | Release date: | 2014-08-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | X-ray structures of GluCl in apo states reveal a gating mechanism of Cys-loop receptors. Nature, 512, 2014
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4TNV
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![BU of 4tnv by Molmil](/molmil-images/mine/4tnv) | C. elegans glutamate-gated chloride channel (GluCl) in complex with Fab in a non-conducting conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Avermectin-sensitive glutamate-gated chloride channel GluCl alpha, CHLORIDE ION, ... | Authors: | Althoff, T, Hibbs, R.E, Banerjee, S, Gouaux, E. | Deposit date: | 2014-06-05 | Release date: | 2014-08-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | X-ray structures of GluCl in apo states reveal a gating mechanism of Cys-loop receptors. Nature, 512, 2014
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4RUC
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![BU of 4ruc by Molmil](/molmil-images/mine/4ruc) | Crystal structure of Y-family DNA polymerase Dpo4 extending from a MeFapy-dG:dC pair | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase IV, ... | Authors: | Patra, A, Banerjee, S, Stone, M.P, Egli, M. | Deposit date: | 2014-11-18 | Release date: | 2015-08-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural Basis for Error-Free Bypass of the 5-N-Methylformamidopyrimidine-dG Lesion by Human DNA Polymerase eta and Sulfolobus solfataricus P2 Polymerase IV. J.Am.Chem.Soc., 137, 2015
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6FWE
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![BU of 6fwe by Molmil](/molmil-images/mine/6fwe) | Phosphotriesterase PTE_C23_6 | Descriptor: | 1-[methoxy(methyl)phosphoryl]oxyethane, 1-ethyl-1-methyl-cyclohexane, FORMIC ACID, ... | Authors: | Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J. | Deposit date: | 2018-03-06 | Release date: | 2019-03-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.774 Å) | Cite: | Phosphotriesterase
PTE_C23_6 To Be Published
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6G1J
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![BU of 6g1j by Molmil](/molmil-images/mine/6g1j) | Phosphotriesterase PTE_C23M_1 | Descriptor: | 1-ethyl-1-methyl-cyclohexane, FORMIC ACID, GLYCEROL, ... | Authors: | Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J. | Deposit date: | 2018-03-21 | Release date: | 2019-04-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Phosphotriesterase
PTE_C23M_1 To Be Published
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6FX4
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![BU of 6fx4 by Molmil](/molmil-images/mine/6fx4) | |
6FU6
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![BU of 6fu6 by Molmil](/molmil-images/mine/6fu6) | Phosphotriesterase PTE_C23_2 | Descriptor: | FORMIC ACID, POLYACRYLIC ACID, Parathion hydrolase, ... | Authors: | Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J. | Deposit date: | 2018-02-26 | Release date: | 2019-03-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Phosphotriesterase
PTE_A53_4 To Be Published
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4M11
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![BU of 4m11 by Molmil](/molmil-images/mine/4m11) | Crystal Structure of Murine Cyclooxygenase-2 Complex with Meloxicam | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide, ... | Authors: | Xu, S, Banerjee, S, Hermanson, D.J, Marnett, L.J. | Deposit date: | 2013-08-02 | Release date: | 2014-01-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Oxicams Bind in a Novel Mode to the Cyclooxygenase Active Site via a Two-water-mediated H-bonding Network. J.Biol.Chem., 289, 2014
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