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6X3S
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BU of 6x3s by Molmil
Human GABAA receptor alpha1-beta2-gamma2 subtype in complex with bicuculline methbromide
分子名称: (5S)-6,6-dimethyl-5-[(6R)-8-oxo-6,8-dihydrofuro[3,4-e][1,3]benzodioxol-6-yl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kim, J.J, Gharpure, A, Teng, J, Zhuang, Y, Howard, R.J, Zhu, S, Noviello, C.M, Walsh, R.M, Lindahl, E, Hibbs, R.E.
登録日2020-05-21
公開日2020-09-09
最終更新日2020-09-23
実験手法ELECTRON MICROSCOPY (3.12 Å)
主引用文献Shared structural mechanisms of general anaesthetics and benzodiazepines.
Nature, 585, 2020
6WZ8
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BU of 6wz8 by Molmil
Complex of Pseudomonas 7A Glutaminase-Asparaginase with Citrate Anion at pH 5.5. Covalent Acyl-Enzyme Intermediate
分子名称: CITRIC ACID, Glutaminase-asparaginase
著者Strzelczyk, P, Zhang, D, Wlodawer, A, Lubkowski, J.
登録日2020-05-13
公開日2020-10-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Generalized enzymatic mechanism of catalysis by tetrameric L-asparaginases from mesophilic bacteria.
Sci Rep, 10, 2020
4MVK
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BU of 4mvk by Molmil
Crystal structure of an engineered lipocalin (Anticalin US7) in complex with the Alzheimer amyloid peptide fragment VFFAED
分子名称: Amyloid peptide fragment VFFAED, Neutrophil gelatinase-associated lipocalin
著者Eichinger, A, Skerra, A.
登録日2013-09-24
公開日2015-08-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献High-affinity Anticalins with aggregation-blocking activity directed against the Alzheimer beta-amyloid peptide.
Biochem.J., 473, 2016
3MXO
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BU of 3mxo by Molmil
Crystal structure oh human phosphoglycerate mutase family member 5 (PGAM5)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Chaikuad, A, Alfano, I, Picaud, S, Filippakopoulos, P, Barr, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Takeda, K, Ichijo, H, Knapp, S, Structural Genomics Consortium (SGC)
登録日2010-05-07
公開日2010-09-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structures of PGAM5 Provide Insight into Active Site Plasticity and Multimeric Assembly.
Structure, 25, 2017
6WFS
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BU of 6wfs by Molmil
Cryo-EM Structure of Hepatitis B virus T=4 capsid in complex with the antiviral molecule DBT1
分子名称: 11-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide, Capsid protein
著者Schlicksup, C, Laughlin, P, Dunkelbarger, S, Wang, J.C, Zlotnick, A.
登録日2020-04-03
公開日2020-06-03
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Local Stabilization of Subunit-Subunit Contacts Causes Global Destabilization of Hepatitis B Virus Capsids.
Acs Chem.Biol., 15, 2020
6TI5
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BU of 6ti5 by Molmil
A New Structural Model of Abeta(1-40) Fibrils
分子名称: Amyloid-beta precursor protein
著者Bertini, I, Gonnelli, L, Luchinat, C, Mao, J, Nesi, A.
登録日2019-11-21
公開日2020-07-22
最終更新日2024-06-19
実験手法SOLID-STATE NMR
主引用文献Mixing A beta (1-40) and A beta (1-42) peptides generates unique amyloid fibrils.
Chem.Commun.(Camb.), 56, 2020
6WGJ
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BU of 6wgj by Molmil
Fab portion of dupilumab with Crystal Kappa design and no interchain disulfide
分子名称: Dupilumab Fab heavy chain, Dupilumab Fab light chain
著者Druzina, Z, Atwell, S, Pustilnik, A, Antonysamy, S, Ho, C, Lieu, R, Hendle, J, Benach, J, Wang, J.
登録日2020-04-05
公開日2020-09-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Rapid and robust antibody Fab fragment crystallization utilizing edge-to-edge beta-sheet packing.
Plos One, 15, 2020
6WGP
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BU of 6wgp by Molmil
The crystal structure of a beta lactamase from Xanthomonas campestris pv. campestris str. ATCC 33913
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-lactamase, ...
著者Tan, K, Wu, R, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-04-06
公開日2020-04-29
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The crystal structure of a beta lactamase from Xanthomonas campestris pv. campestris str. ATCC 33913
To Be Published
7UVE
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BU of 7uve by Molmil
Drosophila melanogaster setdb1-tuor domain with peptide H3K9me2K14ac
分子名称: Histone-lysine N-methyltransferase eggless, peptide H3K9me2K14ac
著者Zhou, M, Dong, A, Liu, K, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2022-05-01
公開日2022-08-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Drosophila melanogaster setdb1-tuor domain with peptide H3K9me2K14ac
To Be Published
7UW8
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BU of 7uw8 by Molmil
Drosophila melanogaster setdb1-tuor domain
分子名称: Histone-lysine N-methyltransferase eggless
著者Zhou, M, Dong, A, Liu, K, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2022-05-03
公開日2022-08-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Drosophila melanogaster setdb1-tuor domain
To Be Published
6TI6
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BU of 6ti6 by Molmil
Mixing Abeta(1-40) and Abeta(1-42) peptides generates unique amyloid fibrils
分子名称: Amyloid-beta precursor protein
著者Cerofolini, L, Ravera, E, Bologna, S, Wiglenda, T, Boddrich, A, Purfurst, B, Benilova, A, Korsak, M, Gallo, G, Rizzo, D, Gonnelli, L, Fragai, M, De Strooper, B, Wanker, E.E, Luchinat, C.
登録日2019-11-21
公開日2020-07-22
最終更新日2024-06-19
実験手法SOLID-STATE NMR
主引用文献Mixing A beta (1-40) and A beta (1-42) peptides generates unique amyloid fibrils.
Chem.Commun.(Camb.), 56, 2020
6WMA
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BU of 6wma by Molmil
Crystal structure of a soluble variant of full-length human APOBEC3G (pH 7.6)
分子名称: APOLIPOPROTEIN B MRNA EDITING ENZYME, CATALYTIC PEPTIDE- LIKE 3G, CHLORIDE ION, ...
著者Maiti, A, Matsuo, H.
登録日2020-04-21
公開日2020-12-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure of a Soluble APOBEC3G Variant Suggests ssDNA to Bind in a Channel that Extends between the Two Domains.
J.Mol.Biol., 432, 2020
6WMC
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BU of 6wmc by Molmil
Crystal structure of a soluble variant of full-length human APOBEC3G (pH 9.0)
分子名称: APOLIPOPROTEIN B MRNA EDITING ENZYME, CATALYTIC PEPTIDE-3 LIKE 3G, DNA (5'-D(P*CP*C)-3'), ...
著者Maiti, A, Matsuo, H.
登録日2020-04-21
公開日2020-12-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.49 Å)
主引用文献Crystal Structure of a Soluble APOBEC3G Variant Suggests ssDNA to Bind in a Channel that Extends between the Two Domains.
J.Mol.Biol., 432, 2020
7UOH
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BU of 7uoh by Molmil
PRMT5/MEP50 crystal structure with MTA and an achiral, class 1, non-atropisomeric inhibitor bound
分子名称: (2M)-2-[(4M)-4-{4-(aminomethyl)-1-oxo-8-[(2R)-oxolan-2-yl]-1,2-dihydrophthalazin-6-yl}-1-methyl-1H-pyrazol-5-yl]-1-benzothiophene-3-carbonitrile, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein 50, ...
著者Gunn, R.J, Thomas, N.C, Lawson, J.D, Ivetac, A, Kulyk, S, Smith, C.R, Marx, M.A.
登録日2022-04-12
公開日2022-08-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Design and evaluation of achiral, non-atropisomeric 4-(aminomethyl)phthalazin-1(2H)-one derivatives as novel PRMT5/MTA inhibitors.
Bioorg.Med.Chem., 71, 2022
3MVG
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BU of 3mvg by Molmil
Native structure of IRIP, a type I ribosome inactivating protein from Iris hollandica var. at 1.25 A
分子名称: GLYCEROL, Ribosome inactivating type 1 protein, SULFATE ION
著者Meyer, A, Weber, W, Singh, T.P, Betzel, C.
登録日2010-05-04
公開日2011-06-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Native structure of IRIP, a type I ribosome inactivating protein from Iris hollandica var. at 1.25 A
to be published
6X3W
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BU of 6x3w by Molmil
Human GABAA receptor alpha1-beta2-gamma2 subtype in complex with GABA plus phenobarbital
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione, ...
著者Kim, J.J, Gharpure, A, Teng, J, Zhuang, Y, Howard, R.J, Zhu, S, Noviello, C.M, Walsh, R.M, Lindahl, E, Hibbs, R.E.
登録日2020-05-21
公開日2020-09-09
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Shared structural mechanisms of general anaesthetics and benzodiazepines.
Nature, 585, 2020
6U87
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BU of 6u87 by Molmil
Pseudomonas aeruginosa HasA mutant - Y75H
分子名称: HasAp, PROTOPORPHYRIN IX CONTAINING FE
著者Brimberry, M, Lanzilotta, W, Wilks, A, Dent, A.
登録日2019-09-04
公開日2020-09-09
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Axial Heme Coordination by the Tyr-His Motif in the Extracellular Hemophore HasAp Is Critical for the Release of Heme to the HasR Receptor of Pseudomonas aeruginosa .
Biochemistry, 60, 2021
6WZ3
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BU of 6wz3 by Molmil
Cu-bound structure of the engineered protein trimer, TriCyt3
分子名称: CHLORIDE ION, COPPER (II) ION, DI(HYDROXYETHYL)ETHER, ...
著者Tezcan, F.A, Kakkis, A.
登録日2020-05-13
公開日2020-09-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Metal-Templated Design of Chemically Switchable Protein Assemblies with High-Affinity Coordination Sites.
Angew.Chem.Int.Ed.Engl., 59, 2020
2O6B
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BU of 2o6b by Molmil
Crystal structure of the PA5185 protein from Pseudomonas Aeruginosa strain PAO1- new crystal form.
分子名称: THIOESTERASE
著者Chruszcz, M, Koclega, K.D, Evdokimova, E, Cymborowski, M, Kudritska, M, Savchenko, A, Edwards, A, Minor, W.
登録日2006-12-07
公開日2007-12-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.21 Å)
主引用文献Function-biased choice of additives for optimization of protein crystallization - the case of the putative thioesterase PA5185 from Pseudomonas aeruginosa PAO1.
Cryst.Growth Des., 8, 2008
2O5E
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BU of 2o5e by Molmil
Structure of E. coli topoisomerase III in complex with an 8-base single stranded oligonucleotide. Frozen in glucose pH 7.0
分子名称: 5'-D(*CP*GP*CP*AP*AP*CP*TP*T)-3', CHLORIDE ION, DNA topoisomerase 3, ...
著者Changela, A, DiGate, R.J, Mondragon, A.
登録日2006-12-05
公開日2007-04-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Studies of E. coli Topoisomerase III-DNA Complexes Reveal a Novel Type IA Topoisomerase-DNA Conformational Intermediate.
J.Mol.Biol., 368, 2007
2O8P
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BU of 2o8p by Molmil
Crystal structure of a putative 14-3-3 protein from Cryptosporidium parvum, cgd7_2470
分子名称: 14-3-3 domain containing protein
著者Dong, A, Lew, J, Wasney, G, Lin, L, Hassanali, A, Zhao, Y, Vedadi, M, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Walker, J.R, Bochkarev, A, Hui, R, Brokx, S.J, Structural Genomics Consortium (SGC)
登録日2006-12-12
公開日2007-01-09
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Characterization of 14-3-3 proteins from Cryptosporidium parvum.
Plos One, 6, 2011
6WNJ
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BU of 6wnj by Molmil
The Crystal Structure of Apo Domain-Swapped Trimer Q108K:T51D:A28C:I32C of HCRBPII
分子名称: GLYCEROL, Retinol-binding protein 2, SULFATE ION, ...
著者Ghanbarpour, A, Geiger, J.
登録日2020-04-22
公開日2020-08-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Human Cellular Retinol Binding Protein II Forms a Domain-Swapped Trimer Representing a Novel Fold and a New Template for Protein Engineering.
Chembiochem, 21, 2020
6WT8
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BU of 6wt8 by Molmil
Structure of a STING-associated CdnE c-di-GMP synthase from Flavobacteriaceae sp.
分子名称: STING-associated CdnE c-di-GMP synthase
著者Morehouse, B.R, Govande, A.A, Millman, A, Keszei, A.F.A, Lowey, B, Ofir, G, Shao, S, Sorek, R, Kranzusch, P.J.
登録日2020-05-01
公開日2020-09-09
最終更新日2020-10-28
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献STING cyclic dinucleotide sensing originated in bacteria.
Nature, 586, 2020
7TPI
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BU of 7tpi by Molmil
SARS-CoV-2 E406W mutant Spike ectodomain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Addetia, A, Veesler, D.
登録日2022-01-25
公開日2023-11-15
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献SARS-CoV-2 E406W mutant Spike ectodomain
To Be Published
6WYX
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BU of 6wyx by Molmil
Crystal structure of Pseudomonas 7A Glutaminase-Asparaginase in complex with L-Asp at pH 5.0
分子名称: ASPARTIC ACID, GLYCEROL, Glutaminase-asparaginase
著者Strzelczyk, P, Zhang, D, Wlodawer, A, Lubkowski, J.
登録日2020-05-13
公開日2020-10-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Generalized enzymatic mechanism of catalysis by tetrameric L-asparaginases from mesophilic bacteria.
Sci Rep, 10, 2020

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