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PDB: 492 results

8P7Q
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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
8P7R
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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
8P7M
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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
8P7H
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BU of 8p7h by Molmil
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
8P7U
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BU of 8p7u by Molmil
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
8P7T
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BU of 8p7t by Molmil
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
8P7F
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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
6HTY
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BU of 6hty by Molmil
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
8Q6S
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BU of 8q6s by Molmil
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
7ZE9
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BU of 7ze9 by Molmil
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
7Z0L
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BU of 7z0l by Molmil
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
8P7K
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BU of 8p7k by Molmil
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
7ZJ2
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BU of 7zj2 by Molmil
Amyloid fibril (in vitro) from full-length hnRNPA1 protein
Descriptor: Isoform A1-A of Heterogeneous nuclear ribonucleoprotein A1
Authors:Sharma, K, Banerjee, S, Schmidt, M, Faendrich, M.
Deposit date:2022-04-08
Release date:2023-08-02
Last modified:2023-08-09
Method:ELECTRON MICROSCOPY (3.32 Å)
Cite:Cryo-EM Structure of the Full-length hnRNPA1 Amyloid Fibril.
J.Mol.Biol., 435, 2023
6FRZ
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BU of 6frz by Molmil
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
4QX6
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BU of 4qx6 by Molmil
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
6G3M
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BU of 6g3m by Molmil
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
4RUA
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BU of 4rua by Molmil
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
4TNW
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BU of 4tnw by Molmil
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
4TNV
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BU of 4tnv by Molmil
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
4RUC
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BU of 4ruc by Molmil
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
6FWE
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BU of 6fwe by Molmil
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
6G1J
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BU of 6g1j by Molmil
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
6FX4
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BU of 6fx4 by Molmil
Disulfide between E3 HECT ligase Smurf2 and Ubiquitin G76C
Descriptor: E3 ubiquitin-protein ligase SMURF2, GLYCEROL, Polyubiquitin-B
Authors:Jaeckl, M, Holdermann, I, Wiesner, S.
Deposit date:2018-03-08
Release date:2018-07-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:beta-Sheet Augmentation Is a Conserved Mechanism of Priming HECT E3 Ligases for Ubiquitin Ligation.
J. Mol. Biol., 430, 2018
6FU6
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BU of 6fu6 by Molmil
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
4M11
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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

221716

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