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4K07
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Crystal structure of the amyloid-forming immunoglobulin AL-103 cis-proline 95 mutant
分子名称: Amyloidogenic immunoglobulin light chain protein AL-103, SULFATE ION
著者Thompson, J.R, Berkholz, D.S, Mahlum, E.W, Ramirez-Alvarado, M.
登録日2013-04-03
公開日2013-10-30
最終更新日2014-01-22
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Kinetic control in protein folding for light chain amyloidosis and the differential effects of somatic mutations.
J.Mol.Biol., 426, 2014
7BO3
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BU of 7bo3 by Molmil
Human Butyrylcholinesterase in complex with N-(2-(1H-Indol-3-yl)ethyl)-2-cycloheptyl-N-methylethan-1-amine
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Brazzolotto, X, Meden, A, Knez, D, Nachon, F, Gobec, S.
登録日2021-01-23
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献From tryptophan-based amides to tertiary amines: Optimization of a butyrylcholinesterase inhibitor series.
Eur.J.Med.Chem., 234, 2022
7BO4
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Human Butyrylcholinesterase in complex with 3-(2-(butyl(2-cycloheptylethyl)amino)ethyl)-1H-indol-6-ol
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Brazzolotto, X, Meden, A, Knez, D, Nachon, F, Gobec, S.
登録日2021-01-23
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献From tryptophan-based amides to tertiary amines: Optimization of a butyrylcholinesterase inhibitor series.
Eur.J.Med.Chem., 234, 2022
3LWO
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BU of 3lwo by Molmil
Structure of H/ACA RNP bound to a substrate RNA containing 5BrU
分子名称: 5'-R(*GP*AP*GP*CP*GP*(5BU)P*GP*CP*GP*GP*UP*UP*U)-3', 50S ribosomal protein L7Ae, H/ACA RNA, ...
著者Zhou, J, Liang, B, Lv, C, Yang, W, Li, H.
登録日2010-02-24
公開日2010-07-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.855 Å)
主引用文献Glycosidic bond conformation preference plays a pivotal role in catalysis of RNA pseudouridylation: a combined simulation and structural study.
J.Mol.Biol., 401, 2010
8P7I
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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
分子名称: (2~{S},6~{R})-2,6-dimethyl-1,3-dioxane-4,4-diol, FORMIC ACID, Parathion hydrolase, ...
著者Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L.
登録日2023-05-30
公開日2023-10-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献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
8P7V
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BU of 8p7v 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
分子名称: 1,2-ETHANEDIOL, 1-ethyl-1-methyl-cyclohexane, FORMIC ACID, ...
著者Dym, O, Aggawal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L.
登録日2023-05-31
公開日2023-10-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.737 Å)
主引用文献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
8P7N
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BU of 8p7n 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
分子名称: FORMIC ACID, Parathion hydrolase, ZINC ION
著者Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L.
登録日2023-05-30
公開日2023-10-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献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
8P7S
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BU of 8p7s 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
分子名称: 1,2-ETHANEDIOL, 1-ethyl-1-methyl-cyclohexane, FORMIC ACID, ...
著者Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L.
登録日2023-05-31
公開日2023-10-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献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
8P7Q
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BU of 8p7q 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
分子名称: 1-ethyl-1-methyl-cyclohexane, FORMIC ACID, GLYCEROL, ...
著者Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L.
登録日2023-05-30
公開日2023-10-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献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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BU of 8p7r 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
分子名称: 1-ethyl-1-methyl-cyclohexane, FORMIC ACID, GLYCEROL, ...
著者Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L.
登録日2023-05-30
公開日2023-10-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献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
分子名称: 1-ethyl-1-methyl-cyclohexane, FORMIC ACID, GLYCEROL, ...
著者Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L.
登録日2023-05-31
公開日2023-10-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献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
分子名称: 1-ethyl-1-methyl-cyclohexane, FORMIC ACID, GLYCEROL, ...
著者Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L.
登録日2023-05-31
公開日2023-10-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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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BU of 8p7m 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
分子名称: FORMIC ACID, GLYCEROL, METHYLPHOSPHONIC ACID ESTER GROUP, ...
著者Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L.
登録日2023-05-30
公開日2023-10-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, 2-methylidene-1,3-dioxane-4,4-diol, FORMIC ACID, ...
著者Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L.
登録日2023-05-30
公開日2023-10-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.774 Å)
主引用文献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
7C2K
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BU of 7c2k by Molmil
COVID-19 RNA-dependent RNA polymerase pre-translocated catalytic complex
分子名称: Non-structural protein 7, Non-structural protein 8, RNA (29-MER), ...
著者Wang, Q, Gao, Y, Ji, W, Mu, A, Rao, Z.
登録日2020-05-07
公開日2020-06-03
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.93 Å)
主引用文献Structural Basis for RNA Replication by the SARS-CoV-2 Polymerase.
Cell, 182, 2020
7C73
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BU of 7c73 by Molmil
Crystal structure of yak lactoperoxidase using data obtained from crystals soaked in MgCl2 at 2.70 A resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Lactoperoxidase, ...
著者Singh, P.K, Pandey, S.N, Rani, C, Ahmad, N, Viswanathan, V, Sharma, P, Kaur, P, Sharma, S, Singh, T.P.
登録日2020-05-22
公開日2020-06-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Potassium-induced partial inhibition of lactoperoxidase: structure of the complex of lactoperoxidase with potassium ion at 2.20 angstrom resolution.
J.Biol.Inorg.Chem., 26, 2021
4KPE
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BU of 4kpe by Molmil
Novel fluoroquinolones in complex with topoisomerase IV from S. pneumoniae and E-site G-gate
分子名称: (7aR,8R)-8-amino-4-cyclopropyl-12-fluoro-1-oxo-4,7,7a,8,9,10-hexahydro-1H-pyrrolo[1',2':1,7]azepino[2,3-h]quinoline-2-carboxylic acid, DNA topoisomerase 4 subunit A, DNA topoisomerase 4 subunit B, ...
著者Laponogov, I, Pan, X.-S, Vesekov, D.A, Cirz, R.T, Wagman, A.S, Moser, H.E, Fisher, L.M, Sanderson, M.R.
登録日2013-05-13
公開日2014-11-26
最終更新日2020-01-29
実験手法X-RAY DIFFRACTION (3.43 Å)
主引用文献Exploring the active site of the Streptococcus pneumoniae topoisomerase IV-DNA cleavage complex with novel 7,8-bridged fluoroquinolones.
Open Biol, 6, 2016
7C75
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BU of 7c75 by Molmil
Crystal structure of yak lactoperoxidase with partially coordinated Na ion in the distal heme cavity
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Lactoperoxidase, ...
著者Singh, P.K, Viswanathan, V, Rani, C, Ahmad, N, Sharma, P, Kaur, P, Sharma, S, Singh, T.P.
登録日2020-05-22
公開日2020-06-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Potassium-induced partial inhibition of lactoperoxidase: structure of the complex of lactoperoxidase with potassium ion at 2.20 angstrom resolution.
J.Biol.Inorg.Chem., 26, 2021
7C8W
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BU of 7c8w by Molmil
Structure of sybody MR17 in complex with the SARS-CoV-2 S receptor-binding domain (RBD)
分子名称: GLYCEROL, Spike protein S1, Synthetic nanobody MR17, ...
著者Li, T, Cai, H, Yao, H, Qin, W, Li, D.
登録日2020-06-03
公開日2020-06-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献A synthetic nanobody targeting RBD protects hamsters from SARS-CoV-2 infection.
Nat Commun, 12, 2021
4KSD
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BU of 4ksd by Molmil
Structures of P-glycoprotein reveal its conformational flexibility and an epitope on the nucleotide-binding domain
分子名称: Multidrug resistance protein 1A, R2 protein
著者Ward, A, Szewczyk, P, Grimard, V, Lee, C.-W, Martinez, L, Doshi, R, Caya, A, Villaluz, M, Pardon, E, Cregger, C, Swartz, D.J, Falson, P, Urbatsch, I, Govaerts, C, Steyaert, J, Chang, G.
登録日2013-05-17
公開日2013-07-31
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (4.1001 Å)
主引用文献Structures of P-glycoprotein reveal its conformational flexibility and an epitope on the nucleotide-binding domain.
Proc.Natl.Acad.Sci.USA, 110, 2013
4KQ3
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BU of 4kq3 by Molmil
Crystal structure of Anti-IL-17A antibody CNTO3186
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CNTO3186 heavy chain, ...
著者Teplyakov, A, Obmolova, G, Malia, T, Gilliland, G.L.
登録日2013-05-14
公開日2014-03-26
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Structural evidence for a constrained conformation of short CDR-L3 in antibodies.
Proteins, 82, 2014
4KHT
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BU of 4kht by Molmil
Triple helix bundle of GP41 complexed with fab 8066
分子名称: 8066 heavy chain, 8066 light chain, Gp41 helix
著者Li, M, Gustchina, A, Wlodawer, A.
登録日2013-05-01
公開日2014-03-12
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.817 Å)
主引用文献Complexes of neutralizing and non-neutralizing affinity matured Fabs with a mimetic of the internal trimeric coiled-coil of HIV-1 gp41.
Plos One, 8, 2013
7C94
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Crystal structure of the anti-human podoplanin antibody Fab fragment complex with glycopeptide
分子名称: GLYCEROL, Heavy chain of Fab fragment, Light chain of Fab fragment, ...
著者Suzuki, K, Nakamura, S, Ogasawara, S, Naruchi, K, Shimabukuro, J, Tukahara, N, Kaneko, M.K, Kato, Y, Murata, T.
登録日2020-06-04
公開日2020-09-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Crystal structure of an anti-podoplanin antibody bound to a disialylated O-linked glycopeptide.
Biochem.Biophys.Res.Commun., 533, 2020
7PYG
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BU of 7pyg by Molmil
Structure of LPMO in complex with cellotetraose at 3.6x10^5 Gy
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity 9, CHLORIDE ION, ...
著者Tandrup, T, Lo Leggio, L.
登録日2021-10-10
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding.
Iucrj, 9, 2022
7CM4
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BU of 7cm4 by Molmil
Crystal Structure of COVID-19 virus spike receptor-binding domain complexed with a neutralizing antibody CT-P59
分子名称: 1,2-ETHANEDIOL, IgG heavy chain, IgG light chain, ...
著者Kim, Y.G, Jeong, J.H, Bae, J.S, Lee, J.
登録日2020-07-24
公開日2021-01-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献A therapeutic neutralizing antibody targeting receptor binding domain of SARS-CoV-2 spike protein.
Nat Commun, 12, 2021

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