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7M6A
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High resolution structure of the membrane embedded skeletal muscle ryanodine receptor
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ...
著者Melville, Z, Kim, K, Clarke, O.B, Marks, A.R.
登録日2021-03-25
公開日2021-09-08
最終更新日2024-12-25
実験手法ELECTRON MICROSCOPY (3.36 Å)
主引用文献High-resolution structure of the membrane-embedded skeletal muscle ryanodine receptor.
Structure, 30, 2022
8UT7
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BU of 8ut7 by Molmil
CryoEM structure of A/Perth/16/2009 H3 in complex with polyclonal Fab from mice immunized with H3 stem nanoparticles-28 days post immunization
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, H3D28 pFab HC Fv_polyA, ...
著者Huang, J, Han, J, Ward, A.B.
登録日2023-10-30
公開日2024-05-08
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Eliciting a single amino acid change by vaccination generates antibody protection against group 1 and group 2 influenza A viruses.
Immunity, 57, 2024
6H94
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T16A variant of beta-phosphoglucomutase from Lactococcus lactis with phosphate and TRIS bound in an open conformer to 1.5 A.
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-phosphoglucomutase, ...
著者Robertson, A.J, Bisson, C, Waltho, J.P.
登録日2018-08-03
公開日2020-08-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Transition state of phospho-enzyme hydrolysis in beta-phosphoglucomutase.
To Be Published
8UT6
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BU of 8ut6 by Molmil
CryoEM structure of A/Perth/16/2009 H3 in complex with polyclonal Fab from mice immunized with H3 stem nanoparticles-15 days post immunization
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, H3D15 pFab HC Fv_polyA, ...
著者Huang, J, Han, J, Ward, A.B.
登録日2023-10-30
公開日2024-05-08
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Eliciting a single amino acid change by vaccination generates antibody protection against group 1 and group 2 influenza A viruses.
Immunity, 57, 2024
8UT3
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BU of 8ut3 by Molmil
CryoEM structure of A/Perth/16/2009 H3 in complex with flu HA central stem VH1-18 antibody UCA6
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Huang, J, Han, J, Ward, A.B.
登録日2023-10-30
公開日2024-05-08
最終更新日2024-11-20
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Eliciting a single amino acid change by vaccination generates antibody protection against group 1 and group 2 influenza A viruses.
Immunity, 57, 2024
1FNI
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BU of 1fni by Molmil
CRYSTAL STRUCTURE OF PORCINE BETA TRYPSIN WITH 0.01% POLYDOCANOL
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, SULFATE ION, ...
著者Deepthi, S, Johnson, A, Pattabhi, V.
登録日2000-08-22
公開日2000-09-13
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structures of porcine beta-trypsin-detergent complexes: the stabilization of proteins through hydrophilic binding of polydocanol.
Acta Crystallogr.,Sect.D, 57, 2001
6S8V
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BU of 6s8v by Molmil
Structure of the high affinity Anticalin P3D11 in complex with the human CD98 heavy chain ectodomain
分子名称: 1,2-ETHANEDIOL, 4F2 cell-surface antigen heavy chain, Neutrophil gelatinase-associated lipocalin
著者Schiefner, A, Deuschle, F.-C, Skerra, A.
登録日2019-07-10
公開日2020-03-04
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Development of a high affinity Anticalin®directed against human CD98hc for theranostic applications.
Theranostics, 10, 2020
7LZD
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BU of 7lzd by Molmil
Crystal Structure of SETD2 bound to Compound 35
分子名称: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Histone-lysine N-methyltransferase SETD2, ...
著者Farrow, N.A, Boriack-Sjodin, P.
登録日2021-03-09
公開日2021-09-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of a First-in-Class Inhibitor of the Histone Methyltransferase SETD2 Suitable for Preclinical Studies.
Acs Med.Chem.Lett., 12, 2021
5L3O
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BU of 5l3o by Molmil
Crystal Structure of Human Carbonic Anhydrase II in Complex with a Quinoline Oligoamide Foldamer
分子名称: Aromatic foldamer, Carbonic anhydrase 2, GLYCEROL, ...
著者Jewginski, M, Langlois d'Estaintot, B, Granier, T, Huc, Y.
登録日2016-05-24
公開日2017-03-01
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Self-Assembled Protein-Aromatic Foldamer Complexes with 2:3 and 2:2:1 Stoichiometries.
J. Am. Chem. Soc., 139, 2017
7LZF
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BU of 7lzf by Molmil
Crystal Structure of SETD2 bound to Compound 57
分子名称: 1,2-ETHANEDIOL, 4-fluoro-N-[(1R,3S)-3-{(3S)-3-[(methanesulfonyl)(methyl)amino]pyrrolidin-1-yl}cyclohexyl]-7-methyl-1H-indole-2-carboxamide, Histone-lysine N-methyltransferase SETD2, ...
著者Farrow, N.A, Boriack-Sjodin, P.
登録日2021-03-09
公開日2021-09-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Discovery of a First-in-Class Inhibitor of the Histone Methyltransferase SETD2 Suitable for Preclinical Studies.
Acs Med.Chem.Lett., 12, 2021
1Y8D
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BU of 1y8d by Molmil
Dimeric parallel-stranded tetraplex with 3+1 5' G-tetrad interface, single-residue chain reversal loops and GAG triad in the context of A(GGGG) pentad
分子名称: 5'-D(*GP*GP*GP*GP*TP*GP*GP*GP*AP*GP*GP*AP*GP*GP*GP*T)-3'
著者Phan, A.T, Kuryavyi, V.V, Ma, J.-B, Faure, A, Andreola, M.-L, Patel, D.J.
登録日2004-12-11
公開日2005-02-01
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献An interlocked dimeric parallel-stranded DNA quadruplex: A potent inhibitor of HIV-1 integrase
Proc.Natl.Acad.Sci.USA, 102, 2005
5A2L
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BU of 5a2l by Molmil
Crystal structure of scFv-SM3 in complex with APD-CGalNAc-RP
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, MODIFIED ANTIGEN TN, ...
著者Martinez-Saez, N, Castro-Lopez, J, Valero-Gonzalez, J, Madariaga, D, Companon, I, Somovilla, V.J, Salvado, M, Asensio, J.L, Jimenez-Barbero, J, Avenoza, A, Busto, J.H, Bernardes, G.J.L, Peregrina, J.M, Hurtado-Guerrero, R, Corzana, F.
登録日2015-05-20
公開日2015-06-03
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Deciphering the Non-Equivalence of Serine and Threonine O-Glycosylation Points: Implications for Molecular Recognition of the Tn Antigen by an Anti-Muc1 Antibody.
Angew.Chem.Int.Ed.Engl., 54, 2015
6S23
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BU of 6s23 by Molmil
Crystal structure of ene-reductase GsOYE from Galleria sulphuraria in complex with 2-methyl-cyclopenten-1-one
分子名称: 2-methylcyclopenta-2,4-dien-1-one, FLAVIN MONONUCLEOTIDE, MAGNESIUM ION, ...
著者Robescu, M.S, Niero, M, Hall, M, Bergantino, E, Cendron, L.
登録日2019-06-20
公開日2020-01-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Two new ene-reductases from photosynthetic extremophiles enlarge the panel of old yellow enzymes: CtOYE and GsOYE.
Appl.Microbiol.Biotechnol., 104, 2020
6S4O
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BU of 6s4o by Molmil
The crystal structure of glycogen phosphorylase in complex with 9
分子名称: (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(2-naphthalen-2-yl-1~{H}-imidazol-4-yl)oxane-3,4,5-triol, Glycogen phosphorylase, muscle form, ...
著者Kyriakis, E, Solovou, T.G.A, Papaioannou, O.S.E, Skamnaki, V.T, Leonidas, D.D.
登録日2019-06-28
公開日2020-02-19
最終更新日2025-04-09
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献The architecture of hydrogen and sulfur sigma-hole interactions explain differences in the inhibitory potency of C-beta-d-glucopyranosyl thiazoles, imidazoles and an N-beta-d glucopyranosyl tetrazole for human liver glycogen phosphorylase and offer new insights to structure-based design.
Bioorg.Med.Chem., 28, 2020
5O9P
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BU of 5o9p by Molmil
Crystal structure of Gas2 in complex with compound 10
分子名称: (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(pyridin-2-ylmethoxymethyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol, 1,2-ETHANEDIOL, 1,3-beta-glucanosyltransferase GAS2
著者Delso, I, Valero-Gonzalez, J, Gomollon-Bel, F, Castro-Lopez, J, Fang, W, Navratilova, I, Van Aalten, D, Tejero, T, Merino, P, Hurtado-Guerrero, R.
登録日2017-06-19
公開日2018-05-02
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Inhibitors against Fungal Cell Wall Remodeling Enzymes.
ChemMedChem, 13, 2018
4J22
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BU of 4j22 by Molmil
Tankyrase 2 in complex with 3-chloro-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)-N-[2-(morpholin-4-yl)ethyl]benzamide
分子名称: 3-chloro-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)-N-[2-(morpholin-4-yl)ethyl]benzamide, SULFATE ION, Tankyrase-2, ...
著者Jansson, A.E, Larsson, E.A, Nordlund, P.L.
登録日2013-02-04
公開日2013-06-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Fragment-based ligand design of novel potent inhibitors of tankyrases.
J.Med.Chem., 56, 2013
6CQQ
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BU of 6cqq by Molmil
Crystal structure of F24 TCR -DR15-RQ13 peptide complex
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, F24 alpha chain, ...
著者Farenc, C, Gras, S, Rossjohn, J.
登録日2018-03-16
公開日2018-06-06
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献CD4+T cell-mediated HLA class II cross-restriction in HIV controllers.
Sci Immunol, 3, 2018
4ITU
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BU of 4itu by Molmil
Crystal structure of S-2-HYDROXYPROPYL COENZYME M DEHYDROGENASE (S-HPCDH) bound to S-HPC AND NADH
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-{[(2S)-2-hydroxypropyl]sulfanyl}ethanesulfonic acid, Short-chain dehydrogenase/reductase SDR
著者Bakelar, J.W, Johnson, S.J.
登録日2013-01-18
公開日2013-03-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structures of S-HPCDH reveal determinants of stereospecificity for R- and S-hydroxypropyl-coenzyme M dehydrogenases.
Arch.Biochem.Biophys., 533, 2013
7BOB
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BU of 7bob by Molmil
Exo-beta-1,4-mannosidase Op5Man5 from Opitutaceae bacterium strain TAV5
分子名称: Endo-beta-mannanase
著者Kalyani, D.C, Reichenbach, T, Keskitalo, M.M, Conrad, J, Aspeborg, H, Divne, C.
登録日2021-01-24
公開日2021-07-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of a homotrimeric verrucomicrobial exo - beta -1,4-mannosidase active in the hindgut of the wood-feeding termite Reticulitermes flavipes .
J Struct Biol X, 5, 2021
5X4M
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BU of 5x4m by Molmil
Crystal structure of the BCL6 BTB domain in complex with Compound 1
分子名称: B-cell lymphoma 6 protein, N-phenyl-1,3,5-triazine-2,4-diamine
著者Sogabe, S, Ida, K, Lane, W, Snell, G.
登録日2017-02-13
公開日2017-05-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Discovery of a B-Cell Lymphoma 6 Protein-Protein Interaction Inhibitor by a Biophysics-Driven Fragment-Based Approach
J. Med. Chem., 60, 2017
7UPS
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BU of 7ups by Molmil
Structural study of Legionella pneumophila effector DotY (Lpg0294)
分子名称: 1,2-ETHANEDIOL, DotY (Lpg0294)
著者Chung, I.Y.W, Cygler, M.
登録日2022-04-16
公開日2022-08-10
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Structural study of Legionella pneumophila effector DotY (Lpg0294), a component of the Dot/Icm type IV secretion system.
Acta Crystallogr.,Sect.F, 78, 2022
4GQJ
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BU of 4gqj by Molmil
Complex of a binuclear Ruthenium compound D,D-([mu-(11,11')-bi(dppz)-(1,10-phenanthroline)4-Ru2]4+) bound to d(CGTACG)
分子名称: (mu-11,11'-bidipyrido[3,2-a:2',3'-c]phenazine-1kappa~2~N~4~,N~5~:2kappa~2~N~4'~,N~5'~)[tetrakis(1,10-phenanthroline-kappa~2~N~1~,N~10~)]diruthenium, DNA (5'-D(*CP*GP*TP*AP*CP*G)-3')
著者Boer, D.R, Coll, M.
登録日2012-08-23
公開日2014-03-05
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.951 Å)
主引用文献Thread Insertion of a Bis(dipyridophenazine) Diruthenium Complex into the DNA Double Helix by the Extrusion of AT Base Pairs and Cross-Linking of DNA Duplexes.
Angew.Chem.Int.Ed.Engl., 53, 2014
5HNY
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BU of 5hny by Molmil
Structural basis of backwards motion in kinesin-14: plus-end directed nKn669 in the AMPPNP state
分子名称: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Shigematsu, H, Yokoyama, T, Kikkawa, M, Shirouzu, M, Nitta, R.
登録日2016-01-19
公開日2016-08-10
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (6.3 Å)
主引用文献Structural Basis of Backwards Motion in Kinesin-1-Kinesin-14 Chimera: Implication for Kinesin-14 Motility
Structure, 24, 2016
5XCO
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BU of 5xco by Molmil
Crystal structure of human K-Ras G12D Mutant in complex with GDP and Cyclic Inhibitory Peptide
分子名称: 1,2-ETHANEDIOL, ACE-ARG-ARG-ARG-ARG-CYS-PRO-LEU-TYR-ILE-SER-TYR-ASP-PRO-VAL-CYS-ARG-ARG-ARG-ARG-NH2, GTPase KRas, ...
著者Sogabe, S, Miwa, M.
登録日2017-03-23
公開日2017-05-24
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Crystal Structure of a Human K-Ras G12D Mutant in Complex with GDP and the Cyclic Inhibitory Peptide KRpep-2d
ACS Med Chem Lett, 8, 2017
5H8K
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Crystal structure of Medicago truncatula N-carbamoylputrescine amidohydrolase (MtCPA) C158S mutant
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Sekula, B, Ruszkowski, M, Malinska, M, Dauter, Z.
登録日2015-12-23
公開日2016-04-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Structural Investigations of N-carbamoylputrescine Amidohydrolase from Medicago truncatula: Insights into the Ultimate Step of Putrescine Biosynthesis in Plants.
Front Plant Sci, 7, 2016

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