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7NMU
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BU of 7nmu by Molmil
Crystal structure of human platelet glycoprotein VI in complex with an inhibitory nanobody.
分子名称: CALCIUM ION, Nanobody 2, Platelet glycoprotein VI
著者Slater, A, Jonas, E, Watson, S.P.
登録日2021-02-23
公開日2021-03-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural characterization of a novel GPVI-nanobody complex reveals a biologically active domain-swapped GPVI dimer.
Blood, 137, 2021
6XKS
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BU of 6xks by Molmil
Crystal structure of domain A from the periplasmic Lysine-, Arginine-, Ornithine-binding protein (LAO) of Salmonella typhimurium
分子名称: ACETATE ION, DI(HYDROXYETHYL)ETHER, Histidine ABC transporter substrate-binding protein HisJ
著者Romero-Romero, S, Berrocal, T, Vergara, R, Espinoza-Perez, G, Rodriguez-Romero, A.
登録日2020-06-27
公開日2021-07-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Thermodynamic and kinetic analysis of the LAO binding protein and its isolated domains reveal non-additivity in stability, folding and function.
Febs J., 2023
7NLJ
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BU of 7nlj by Molmil
Complex of rice blast (Magnaporthe oryzae) effector protein APikL2A with host target sHMA25 from Setaria italica
分子名称: 1,2-ETHANEDIOL, APikL2A, sHMA25
著者Bentham, A.R, Banfield, M.J.
登録日2021-02-22
公開日2021-03-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A single amino acid polymorphism in a conserved effector of the multihost blast fungus pathogen expands host-target binding spectrum.
Plos Pathog., 17, 2021
5KGX
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BU of 5kgx by Molmil
HIV1 catalytic core domain in complex with an inhibitor (2~{S})-2-[3-(3,4-dihydro-2~{H}-chromen-6-yl)-1-methyl-indol-2-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid
分子名称: (2S)-tert-butoxy[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-1-methyl-1H-indol-2-yl]acetic acid, Integrase, SULFATE ION
著者Feng, L, Kobe, M, Kvaratskhelia, M.
登録日2016-06-13
公開日2016-10-19
最終更新日2018-03-07
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Indole-based allosteric inhibitors of HIV-1 integrase.
Bioorg.Med.Chem.Lett., 26, 2016
5KIG
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BU of 5kig by Molmil
PSEUDO T4 LYSOZYME MUTANT - Y88F
分子名称: 2-HYDROXYETHYL DISULFIDE, Endolysin
著者Scholfield, M.R.
登録日2016-06-16
公開日2017-04-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-Energy Relationships of Halogen Bonds in Proteins.
Biochemistry, 56, 2017
7NE5
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BU of 7ne5 by Molmil
catalytically non active S532A mutant of oligopeptidase B from S. proteomaculans with modified hinge region
分子名称: Oligopeptidase B, SPERMINE
著者Petrenko, D.E, Nikolaeva, A.Y, Lazarenko, V.A, Dorovatovskiy, P.V, Vlaskina, A.V, Mikhailova, A.G, Rakitina, T.V, Timofeev, V.I.
登録日2021-02-03
公開日2021-03-31
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献First Crystal Structure of Bacterial Oligopeptidase B in an Intermediate State: The Roles of the Hinge Region Modification and Spermine.
Biology (Basel), 10, 2021
7NMQ
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BU of 7nmq by Molmil
Bacillus cereus HblL1 toxin component
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Hemolysin BL lytic component L1
著者Rizkallah, P.J, Berry, C.
登録日2021-02-23
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献The Crystal Structure of Bacillus cereus HblL 1 .
Toxins, 13, 2021
6XR2
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BU of 6xr2 by Molmil
Computationally designed right-handed alpha/alpha homotrimeric toroid with 3 repeats per subunit
分子名称: dTor_3x57R
著者Hallinan, J.P, Doyle, L, Bradley, P, Stoddard, B.L.
登録日2020-07-10
公開日2021-07-14
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Design of functionalised circular tandem repeat proteins with longer repeat topologies and enhanced subunit contact surfaces.
Commun Biol, 4, 2021
6XR1
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BU of 6xr1 by Molmil
Computationally designed right-handed alpha/alpha single-chain toroid with 9 repeats
分子名称: dTor_9x57R
著者Hallinan, J.P, Doyle, L, Bradley, P, Stoddard, B.L.
登録日2020-07-10
公開日2021-07-14
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Design of functionalised circular tandem repeat proteins with longer repeat topologies and enhanced subunit contact surfaces.
Commun Biol, 4, 2021
8C0Q
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BU of 8c0q by Molmil
Crystal structure of human carbonic anhydrase II in complex with a coumarin derivative.
分子名称: (4-methyl-2-oxidanylidene-chromen-7-yl)methanesulfonamide, Carbonic anhydrase 2, ZINC ION
著者Alterio, V, De Simone, G, Esposito, D.
登録日2022-12-19
公開日2023-03-08
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献A Combined in Silico and Structural Study Opens New Perspectives on Aliphatic Sulfonamides, a Still Poorly Investigated Class of CA Inhibitors.
Biology (Basel), 12, 2023
5KII
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BU of 5kii by Molmil
PSEUDO T4 LYSOZYME MUTANT - Y88PHE-METHYL
分子名称: 2-HYDROXYETHYL DISULFIDE, Endolysin, PHOSPHATE ION
著者Scholfield, M.R.
登録日2016-06-16
公開日2017-04-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Structure-Energy Relationships of Halogen Bonds in Proteins.
Biochemistry, 56, 2017
5KIS
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BU of 5kis by Molmil
YenB/RHS2 complex
分子名称: CALCIUM ION, CHLORIDE ION, RHS2, ...
著者Busby, J.N, Hurst, M.R.H, Lott, J.S.
登録日2016-06-16
公開日2017-08-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of a new BC complex from Yersinia entomophaga
To Be Published
8C0R
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BU of 8c0r by Molmil
Crystal structure of human carbonic anhydrase II in complex with a coumarin derivative.
分子名称: Carbonic anhydrase 2, ZINC ION, bis(fluoranyl)-(4-methyl-2-oxidanylidene-chromen-7-yl)methanesulfonamide
著者Alterio, V, De Simone, G, Esposito, D.
登録日2022-12-19
公開日2023-03-08
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献A Combined in Silico and Structural Study Opens New Perspectives on Aliphatic Sulfonamides, a Still Poorly Investigated Class of CA Inhibitors.
Biology (Basel), 12, 2023
6ILE
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BU of 6ile by Molmil
CRYSTAL STRUCTURE OF A MUTANT PTAL-N*01:01 FOR 2.9 ANGSTROM, 52M 53D 54L DELETED
分子名称: Beta-2-microglobulin, HEV-1, MHC class I antigen
著者Qu, Z.H, Zhang, N.Z, Xia, C.
登録日2018-10-17
公開日2019-07-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure and Peptidome of the Bat MHC Class I Molecule Reveal a Novel Mechanism Leading to High-Affinity Peptide Binding.
J Immunol., 202, 2019
5KIM
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BU of 5kim by Molmil
PSEUDO T4 LYSOZYME MUTANT - Y88PHE-I
分子名称: 2-HYDROXYETHYL DISULFIDE, Endolysin, SODIUM ION
著者Scholfield, M.R.
登録日2016-06-16
公開日2017-04-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-Energy Relationships of Halogen Bonds in Proteins.
Biochemistry, 56, 2017
5KPY
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BU of 5kpy by Molmil
Structure of a 5-hydroxytryptophan aptamer
分子名称: 5-hydroxy-L-tryptophan, 5-hydroxytryptophan RNA aptamer, IRIDIUM HEXAMMINE ION, ...
著者Batey, R.T, Porter, E, Merck, M.
登録日2016-07-05
公開日2017-01-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Recurrent RNA motifs as scaffolds for genetically encodable small-molecule biosensors.
Nat. Chem. Biol., 13, 2017
6XRW
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BU of 6xrw by Molmil
Chromosomal ParDE TA system from P. aeruginosa
分子名称: BENZAMIDINE, GLYCEROL, NONAETHYLENE GLYCOL, ...
著者Bourne, C.R, Snead, K.J, Thomas, L.M.
登録日2020-07-13
公開日2021-07-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献ParD Antitoxin Hotspot Alters a Disorder-to-Order Transition upon Binding to Its Cognate ParE Toxin, Lessening Its Interaction Affinity and Increasing Its Protease Degradation Kinetics.
Biochemistry, 61, 2022
4HAF
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BU of 4haf by Molmil
Crystal structure of fc-fragment of human IgG2 antibody (primitive crystal form)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-2 chain C region
著者Teplyakov, A, Malia, T, Obmolova, G, Zhao, Y, Gilliland, G.
登録日2012-09-26
公開日2013-06-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献IgG2 Fc structure and the dynamic features of the IgG CH2-CH3 interface.
Mol.Immunol., 56, 2013
1IDX
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BU of 1idx by Molmil
Structural Basis for Poor Excision from Hairpin DNA: NMR Study
分子名称: 5'-D(*AP*GP*GP*AP*TP*CP*CP*TP*TP*UP*TP*GP*GP*AP*TP*CP*CP*T)-3'
著者Ghosh, M, Rumpal, N, Varshney, U, Chary, K.V.
登録日2001-04-05
公開日2002-05-08
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structural basis for poor uracil excision from hairpin DNA. An NMR study.
Eur.J.Biochem., 269, 2002
1II1
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BU of 1ii1 by Molmil
Structural Basis for Poor Uracil Excision from Hairpin DNA: NMR Study
分子名称: 5'-D(*AP*GP*GP*AP*TP*CP*CP*UP*TP*TP*TP*GP*GP*AP*TP*CP*CP*T)-3'
著者Ghosh, M, Rumpal, N, Varshney, U, Chary, K.V.
登録日2001-04-20
公開日2002-05-08
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structural basis for poor uracil excision from hairpin DNA. An NMR study.
Eur.J.Biochem., 269, 2002
5KS7
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BU of 5ks7 by Molmil
Crystal structure of Listeria monocytogenes OpuCA CBS domain dimer in complex with cyclic-di-AMP
分子名称: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, Carnitine transport ATP-binding protein OpuCA
著者Choi, P.H, Tong, L.
登録日2016-07-07
公開日2016-07-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Cyclic di-AMP targets the cystathionine beta-synthase domain of the osmolyte transporter OpuC.
Mol.Microbiol., 102, 2016
5KL9
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BU of 5kl9 by Molmil
Crystal structure of a putative acyl-CoA thioesterase EC709/ECK0725 from Escherichia coli in complex with CoA
分子名称: Acyl-CoA thioester hydrolase YbgC, COENZYME A, GLYCEROL, ...
著者Stogios, P.J, Skarina, T, Di Leo, R, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2016-06-23
公開日2016-07-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Crystal structure of a putative acyl-CoA thioesterase EC709/ECK0725 from Escherichia coli in complex with CoA
To Be Published
4HOR
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BU of 4hor by Molmil
Crystal Structure of Full-Length Human IFIT5 with 5`-triphosphate Oligocytidine
分子名称: Interferon-induced protein with tetratricopeptide repeats 5, MAGNESIUM ION, RNA (5'-R(*(CTP)P*CP*CP*CP*C)-3')
著者Abbas, Y.M, Pichlmair, A, Gorna, M.W, Superti-Furga, G, Nagar, B.
登録日2012-10-22
公開日2013-01-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.861 Å)
主引用文献Structural basis for viral 5'-PPP-RNA recognition by human IFIT proteins.
Nature, 494, 2013
4HJG
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BU of 4hjg by Molmil
Meditope-enabled trastuzumab
分子名称: Immunoglobulin G-binding protein A, Protein L fragment, Trastuzumab heavy chain, ...
著者Donaldson, J.M, Zer, C, Avery, K.N, Bzymek, K.P, Horne, D.A, Williams, J.C.
登録日2012-10-12
公開日2013-10-09
最終更新日2013-11-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification and grafting of a unique peptide-binding site in the Fab framework of monoclonal antibodies.
Proc.Natl.Acad.Sci.USA, 110, 2013
6IP9
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BU of 6ip9 by Molmil
Crystal Structure of Lanthanum ion (La3+) bound bovine alpha-lactalbumin
分子名称: Alpha-lactalbumin, GLYCEROL, LANTHANUM (III) ION, ...
著者Prakash, P, Yarramala, S.D, Rao, C.P, Bhaumik, P.
登録日2018-11-02
公開日2019-02-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Cytotoxicity of apo bovine alpha-lactalbumin complexed with La3+on cancer cells supported by its high resolution crystal structure.
Sci Rep, 9, 2019

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件を2024-08-21に公開中

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