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5LFS
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Lambda-[Ru(bpy)2(dppz)]2+ bound to brominated DNA
分子名称: BARIUM ION, CHLORIDE ION, DNA (5'-D(*(CBR)P*GP*GP*C)-3'), ...
著者Hall, J.P, Cardin, C.J.
登録日2016-07-04
公開日2017-02-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Guanine Can Direct Binding Specificity of Ru-dipyridophenazine (dppz) Complexes to DNA through Steric Effects.
Chemistry, 23, 2017
4PI7
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BU of 4pi7 by Molmil
Crystal structure of S. Aureus Autolysin E in complex with disaccharide NAM-NAG
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid, Autolysin E, CHLORIDE ION, ...
著者Mihelic, M, Renko, M, Jakas, A, Turk, D.
登録日2014-05-08
公開日2015-10-14
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The mechanism behind the selection of two different cleavage sites in NAG-NAM polymers
Iucrj, 4, 2017
6D51
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BU of 6d51 by Molmil
Crystal structure of L,D-transpeptidase 3 from Mycobacterium tuberculosis in complex with a faropenem-derived adduct
分子名称: ACETYL GROUP, CALCIUM ION, Probable L,D-transpeptidase 3
著者Libreros, G.A, Dias, M.V.B.
登録日2018-04-19
公開日2019-02-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Structural Basis for the Interaction and Processing of beta-Lactam Antibiotics by l,d-Transpeptidase 3 (LdtMt3) from Mycobacterium tuberculosis.
ACS Infect Dis, 5, 2019
6FUT
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BU of 6fut by Molmil
Complement factor D in complex with the inhibitor (S)-3'-(aminomethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-[1,1'-biphenyl]-3-carboxamide
分子名称: 3-[3-(aminomethyl)phenyl]-~{N}-[(1~{S})-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide, Complement factor D, SUCCINIC ACID
著者Mac Sweeney, A, Vulpetti, A, Erbel, P, Lorthiois, E, Maibaum, J, Randl, S.
登録日2018-02-27
公開日2018-06-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery and Design of First Benzylamine-Based Ligands Binding to an Unlocked Conformation of the Complement Factor D.
ACS Med Chem Lett, 9, 2018
6PNJ
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BU of 6pnj by Molmil
Structure of Photosystem I Acclimated to Far-red Light
分子名称: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
著者Gisriel, C.J, Shen, G, Kurashov, V, Ho, M, Zhang, S, Williams, D, Golbeck, J.H, Fromme, P, Bryant, D.A.
登録日2019-07-02
公開日2020-02-12
最終更新日2020-02-26
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献The structure of Photosystem I acclimated to far-red light illuminates an ecologically important acclimation process in photosynthesis
Sci Adv, 6, 2020
4PI8
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BU of 4pi8 by Molmil
Crystal structure of catalytic mutant E138A of S. Aureus Autolysin E in complex with disaccharide NAG-NAM
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid, Autolysin E, CHLORIDE ION, ...
著者Mihelic, M, Renko, M, Jakas, A, Turk, D.
登録日2014-05-08
公開日2015-10-14
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献The mechanism behind the selection of two different cleavage sites in NAG-NAM polymers
Iucrj, 4, 2017
5EIX
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BU of 5eix by Molmil
QUINOLONE-STABILIZED CLEAVAGE COMPLEX OF TOPOISOMERASE IV FROM KLEBSIELLA PNEUMONIAE
分子名称: (3S)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid, DNA topoisomerase 4 subunit B,DNA topoisomerase 4 subunit A, MAGNESIUM ION, ...
著者Veselkov, D.A, Laponogov, I, Pan, X.-S, Selvarajah, J, Branstrom, A, Fisher, L.M, Sanderson, M.R.
登録日2015-10-30
公開日2016-04-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献Structure of a quinolone-stabilized cleavage complex of topoisomerase IV from Klebsiella pneumoniae and comparison with a related Streptococcus pneumoniae complex.
Acta Crystallogr D Struct Biol, 72, 2016
4XR8
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BU of 4xr8 by Molmil
Crystal structure of the HPV16 E6/E6AP/p53 ternary complex at 2.25 A resolution
分子名称: 1,2-ETHANEDIOL, Cellular tumor antigen p53, DI(HYDROXYETHYL)ETHER, ...
著者Martinez-Zapien, D, Ruiz, F.X, Mitschler, A, Podjarny, A, Trave, G, Zanier, K.
登録日2015-01-20
公開日2016-02-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure of the E6/E6AP/p53 complex required for HPV-mediated degradation of p53.
Nature, 529, 2016
6FTY
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BU of 6fty by Molmil
COMPLEMENT FACTOR D COMPLEXED WITH COMPOUND 5
分子名称: 4-[[(5~{S},7~{R})-3-azanyl-1-adamantyl]carbonylamino]-1~{H}-indole-2-carboxamide, Complement factor D, GLYCEROL
著者Ostermann, N.
登録日2018-02-26
公開日2018-06-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Discovery and Design of First Benzylamine-Based Ligands Binding to an Unlocked Conformation of the Complement Factor D.
ACS Med Chem Lett, 9, 2018
4PLM
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BU of 4plm by Molmil
Crystal Structure of Chicken Netrin-1 (LN-LE3)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
著者Xu, K, Nikolov, D.B.
登録日2014-05-18
公開日2014-06-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.801 Å)
主引用文献Neural migration. Structures of netrin-1 bound to two receptors provide insight into its axon guidance mechanism.
Science, 344, 2014
5LFW
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BU of 5lfw by Molmil
Lambda-[Ru(phen)2(dppz)]2+ bound to a short substituted DNA sequence
分子名称: BARIUM ION, DNA (5'-D(*(CBR)P*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*G)-3'), ...
著者Hall, J.P, Cardin, C.J.
登録日2016-07-04
公開日2017-02-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Guanine Can Direct Binding Specificity of Ru-dipyridophenazine (dppz) Complexes to DNA through Steric Effects.
Chemistry, 23, 2017
5UF4
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BU of 5uf4 by Molmil
Crystal Structure of Variable Lymphocyte Receptor (VLR) O13 with LNnT bound
分子名称: O13, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose
著者Gunn, R.J, Collins, B.C, McKitrick, T.R, Cummings, R.D, Cooper, M.D, Herrin, B.R, Wilson, I.A.
登録日2017-01-03
公開日2017-10-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Structural Insights into VLR Fine Specificity for Blood Group Carbohydrates.
Structure, 25, 2017
7KOX
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BU of 7kox by Molmil
Alpha-7 nicotinic acetylcholine receptor bound to epibatidine and PNU-120596 in the activated state
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, CALCIUM ION, ...
著者Noviello, C.M, Hibbs, R.E, Gharpure, A, Mukhtasimova, N, Baxter, L, Cabuco, R, Borek, D, Sine, S.
登録日2020-11-10
公開日2021-03-17
最終更新日2021-05-12
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structure and gating mechanism of the alpha 7 nicotinic acetylcholine receptor.
Cell, 184, 2021
7KOQ
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BU of 7koq by Molmil
Alpha-7 nicotinic acetylcholine receptor bound to epibatidine in a desensitized state
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, CALCIUM ION, ...
著者Noviello, C.M, Hibbs, R.E, Gharpure, A, Mukhtasimova, N, Cabuco, R, Baxter, L, Borek, D, Sine, S.
登録日2020-11-09
公開日2021-03-17
最終更新日2021-05-12
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structure and gating mechanism of the alpha 7 nicotinic acetylcholine receptor.
Cell, 184, 2021
6STR
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BU of 6str by Molmil
Three dimensional structure of the giant reed (Arundodonax) lectin (ADL) complex with N,N'-Diacetylchitobiose; 60 seconds soaking
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Arundo donax Lectin (ADL), GLYCEROL
著者Perduca, M, Monaco, H.L, Bovi, M, Destefanis, L, Nadali, D, Fin, L, Carrizo, M.E.
登録日2019-09-11
公開日2021-07-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Three-dimensional structure and properties of the giant reed (Arundo donax) lectin (ADL).
Glycobiology, 2021
6STQ
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BU of 6stq by Molmil
Three dimensional structure of the giant reed (Arundodonax) lectin (ADL) complex with N,N'-Diacetylchitobiose; 30 seconds soaking
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Arundo donax Lectin (ADL), GLYCEROL
著者Perduca, M, Monaco, H.L, Bovi, M, Destefanis, L, Nadali, D, Fin, L, Carrizo, M.E.
登録日2019-09-11
公開日2021-07-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Three-dimensional structure and properties of the giant reed (Arundo donax) lectin (ADL).
Glycobiology, 2021
2WMK
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BU of 2wmk by Molmil
Crystal structure of the catalytic module of a family 98 glycoside hydrolase from Streptococcus pneumoniae SP3-BS71 (Sp3GH98) in complex with the A-LewisY pentasaccharide blood group antigen.
分子名称: FUCOLECTIN-RELATED PROTEIN, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose
著者Higgins, M.A, Whitworth, G.E, El Warry, N, Randriantsoa, M, Samain, E, Burke, R.D, Vocadlo, D.J, Boraston, A.B.
登録日2009-06-30
公開日2009-07-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Differential Recognition and Hydrolysis of Host Carbohydrate-Antigens by Streptococcus Pneumoniae Family 98 Glycoside Hydrolases.
J.Biol.Chem., 284, 2009
6STN
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BU of 6stn by Molmil
Three dimensional structure of the giant reed (Arundodonax) lectin (ADL) complex with N-Acetyl glucosamine
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Arundo donax Lectin (ADL), GLYCEROL
著者Perduca, M, Monaco, H.L, Bovi, M, Destefanis, L, Nadali, D, Fin, L, Carrizo, M.E.
登録日2019-09-11
公開日2021-07-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Three-dimensional structure and properties of the giant reed (Arundo donax) lectin (ADL).
Glycobiology, 2021
4PLN
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BU of 4pln by Molmil
Crystal Structure of Chicken Netrin-1 (LN-LE3) complexed with mouse Neogenin (FN4-5)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neogenin, ...
著者Xu, K, Nikolov, D.B.
登録日2014-05-18
公開日2014-06-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Neural migration. Structures of netrin-1 bound to two receptors provide insight into its axon guidance mechanism.
Science, 344, 2014
2WR1
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BU of 2wr1 by Molmil
structure of influenza H2 hemagglutinin with human receptor
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, HEMAGGLUTININ, ...
著者Liu, J, Stevens, D.J, Haire, L.F, Walker, P.A, Coombs, P.J, Russell, R.J, Gamblin, S.J, Skehel, J.J.
登録日2009-08-29
公開日2009-09-29
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献From the Cover: Structures of Receptor Complexes Formed by Hemagglutinins from the Asian Influenza Pandemic of 1957.
Proc.Natl.Acad.Sci.USA, 106, 2009
6T2B
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BU of 6t2b by Molmil
Glycoside hydrolase family 109 from Akkermansia muciniphila in complex with GalNAc and NAD+.
分子名称: 2-acetamido-2-deoxy-alpha-D-galactopyranose, Glycosyl hydrolase family 109 protein 2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Chaberski, E.K, Fredslund, F, Teze, D, Shuoker, B, Kunstmann, S, Karlsson, E.N, Hachem, M.A, Welner, D.H.
登録日2019-10-08
公開日2020-02-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献The Catalytic Acid-Base in GH109 Resides in a Conserved GGHGG Loop and Allows for Comparable alpha-Retaining and beta-Inverting Activity in an N-Acetylgalactosaminidase from Akkermansia muciniphila
Acs Catalysis, 2020
4PUE
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BU of 4pue by Molmil
Extracellulr Xylanase from Geobacillus stearothermophilus: E159Q mutant, with xylotetraose in active site
分子名称: CHLORIDE ION, Endo-1,4-beta-xylanase, ZINC ION, ...
著者Dann, R.D, Solomon, H.V, Lansky, S, Ben-David, A, Lavid, N, Salama, R, Shoham, Y, Shoham, G.
登録日2014-03-13
公開日2015-03-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Extracellulr Xylanase from Geobacillus stearothermophilus: E159Q mutant, with xylotetraose in active site.
To be Published
7KZ5
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BU of 7kz5 by Molmil
Crystal structure of KabA from Bacillus cereus UW85 in complex with the plp external aldimine adduct with kanosamine-6-phosphate
分子名称: 1,2-ETHANEDIOL, 3-deoxy-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-O-phosphono-alpha-D-gluco pyranose, Aminotransferase class I/II-fold pyridoxal phosphate-dependent enzyme, ...
著者Prasertanan, T, Palmer, D.R.J, Sanders, D.A.R.
登録日2020-12-10
公開日2021-05-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Snapshots along the catalytic path of KabA, a PLP-dependent aminotransferase required for kanosamine biosynthesis in Bacillus cereus UW85.
J.Struct.Biol., 213, 2021
5IUQ
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BU of 5iuq by Molmil
Galectin-3c in complex with Bisamido-thiogalactoside derivative 4
分子名称: 3-deoxy-3-[(2,3,5,6-tetrafluoro-4-methoxybenzene-1-carbonyl)amino]-beta-D-galactopyranosyl 3-deoxy-3-[(2,3,5,6-tetrafluoro-4-methoxybenzene-1-carbonyl)amino]-1-thio-beta-D-galactopyranoside, Galectin-3
著者Noresson, A.-L, Aurelius, O, Oberg, C.T, Engstrom, O, Sundin, A.P, Hakansson, M, Logan, D.T, Leffler, H, Nilsson, U.J.
登録日2016-03-18
公開日2017-03-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.121 Å)
主引用文献Controlling protein:ligand complex conformation through tuning of arginine-arene interactions: Synthetic and structural studies with 3-benzamido-2-sulfo-galactosides as galectin-3 ligands
To Be Published
5IZQ
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Crystal structure of human folate receptor alpha in complex with novel antifolate AGF183
分子名称: Folate receptor alpha, N-(4-{[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl]amino}benzene-1-carbonyl)-L-glutamic acid
著者Ke, J, Gu, X, Brunzelle, J.S, Xu, H.E, Melcher, K.
登録日2016-03-25
公開日2016-08-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Tumor Targeting with Novel 6-Substituted Pyrrolo [2,3-d] Pyrimidine Antifolates with Heteroatom Bridge Substitutions via Cellular Uptake by Folate Receptor alpha and the Proton-Coupled Folate Transporter and Inhibition of de Novo Purine Nucleotide Biosynthesis.
J.Med.Chem., 59, 2016

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