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8RF0
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WT-CGS sample in nanodisc
分子名称: Cyclic beta-(1,2)-glucan synthase NdvB, URIDINE-5'-DIPHOSPHATE-GLUCOSE, beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose, ...
著者Sedzicki, J, Ni, D, Lehmann, F, Stahlberg, H, Dehio, C.
登録日2023-12-12
公開日2024-03-20
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structure-function analysis of the cyclic beta-1,2-glucan synthase from Agrobacterium tumefaciens.
Nat Commun, 15, 2024
8R9W
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PDCoV spike glycoprotein ectodomain in complex with the 22C10 antibody Fab fragment
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, 22C10 antibody heavy chain, ...
著者Debski-Antoniak, O, Hurdiss, D.L.
登録日2023-11-30
公開日2024-06-05
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Neutralizing antibodies reveal cryptic vulnerabilities and interdomain crosstalk in the porcine deltacoronavirus spike protein.
Nat Commun, 15, 2024
1IGR
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BU of 1igr by Molmil
Type 1 Insulin-like growth factor receptor (DOMAINS 1-3)
分子名称: 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, INSULIN-LIKE GROWTH FACTOR RECEPTOR 1, ...
著者Garrett, T.P.J, Mckern, N.M, Lou, M, Frenkel, M.J, Bentley, J.D, Lovrecz, G.O, Elleman, T.C, Cosgrove, L.J, Ward, C.W.
登録日1998-09-28
公開日1999-09-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of the first three domains of the type-1 insulin-like growth factor receptor.
Nature, 394, 1998
6QAA
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BU of 6qaa by Molmil
Human Butyrylcholinesterase in complex with (S)-2-(butylamino)-N-(2-cycloheptylethyl)-3-(1H-indol-3-yl)propanamide
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, Nachon, F, Harst, M, Knez, D, Gobec, S.
登録日2018-12-19
公開日2019-03-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.897 Å)
主引用文献Tryptophan-derived butyrylcholinesterase inhibitors as promising leads against Alzheimer's disease.
Chem.Commun.(Camb.), 55, 2019
6QAE
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Human Butyrylcholinesterase in complex with (S)-N2-butyl-N1-(2-cycloheptylethyl)-3-(1H-indol-3-yl)-N1,N2-dimethylpropane-1,2-diamine
分子名称: 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, Cholinesterase, ...
著者Brazzolotto, X, Nachon, F, Harst, M, Knez, D, Gobec, S.
登録日2018-12-19
公開日2019-03-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.487 Å)
主引用文献Tryptophan-derived butyrylcholinesterase inhibitors as promising leads against Alzheimer's disease.
Chem.Commun.(Camb.), 55, 2019
5RSI
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PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000374420934
分子名称: 4-(1,4-oxazonan-4-yl)-7H-pyrrolo[2,3-d]pyrimidine, Non-structural protein 3
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-09-28
公開日2020-12-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.01 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
8R9X
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Local refinement of the PDCoV spike glycoprotein ectodomain in complex with the 22C10 antibody Fab fragment
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Debski-Antoniak, O, Hurdiss, D.L.
登録日2023-11-30
公開日2024-06-05
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Neutralizing antibodies reveal cryptic vulnerabilities and interdomain crosstalk in the porcine deltacoronavirus spike protein.
Nat Commun, 15, 2024
4UR7
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BU of 4ur7 by Molmil
Crystal structure of keto-deoxy-D-galactarate dehydratase complexed with pyruvate
分子名称: FORMIC ACID, GLYCEROL, KETO-DEOXY-D-GALACTARATE DEHYDRATASE
著者Taberman, H, Parkkinen, T, Hakulinen, N, Rouvinen, J.
登録日2014-06-26
公開日2014-12-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.499 Å)
主引用文献Structure and Function of a Decarboxylating Agrobacterium Tumefaciens Keto-Deoxy-D-Galactarate Dehydratase.
Biochemistry, 53, 2014
5RSC
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BU of 5rsc by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000003888754
分子名称: 7-[(furan-2-yl)methyl]-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Non-structural protein 3
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-09-28
公開日2020-12-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.01 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
5RS7
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BU of 5rs7 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000034618676
分子名称: 1-{2-[(propan-2-yl)oxy]ethyl}-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-one, Non-structural protein 3
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-09-28
公開日2020-12-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
4WEB
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BU of 4web by Molmil
Structure of the core ectodomain of the hepatitis C virus envelope glycoprotein 2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, FORMAMIDE, Mouse Fab Heavy Chain, ...
著者Khan, A.G, Whidby, J, Miller, M.T, Scarborough, H, Zatorski, A.V, Cygan, A, Price, A.A, Yost, S.A, Bohannon, C.D, Jacob, J, Grakoui, A, Marcotrigiano, J.
登録日2014-09-09
公開日2014-12-17
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of the core ectodomain of the hepatitis C virus envelope glycoprotein 2.
Nature, 509, 2014
7S7F
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BU of 7s7f by Molmil
STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH DOT1L(998-1006) PHOSPHOPEPTIDE
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-7 alpha chain, ...
著者Patskovska, L, Patskovsky, Y, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M.
登録日2021-09-15
公開日2022-11-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Molecular mechanism of phosphopeptide neoantigen immunogenicity.
Nat Commun, 14, 2023
7S7E
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BU of 7s7e by Molmil
STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH DOT1L(998-1006) PEPTIDE
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-7 alpha chain, ...
著者Patskovska, L, Patskovsky, Y, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M.
登録日2021-09-15
公開日2022-11-02
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Molecular mechanism of phosphopeptide neoantigen immunogenicity.
Nat Commun, 14, 2023
8H24
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BU of 8h24 by Molmil
Leucine-rich alpha-2-glycoprotein 1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Leucine-rich alpha-2-glycoprotein, SULFATE ION
著者Won, S.Y, Park, B.S, Lee, D.S, Kim, H.M, Han, A, Yang, J.
登録日2022-10-04
公開日2023-08-23
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal structure of LRG1 and the functional significance of LRG1 glycan for LPHN2 activation.
Exp.Mol.Med., 55, 2023
6QAB
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BU of 6qab by Molmil
Human Butyrylcholinesterase in complex with (S)-N-(1-((2-cycloheptylethyl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)-N,N-dimethylbutan-1-aminium
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, Nachon, F, Harst, M, Knez, D, Gobec, S.
登録日2018-12-19
公開日2019-03-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Tryptophan-derived butyrylcholinesterase inhibitors as promising leads against Alzheimer's disease.
Chem.Commun.(Camb.), 55, 2019
7RZJ
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BU of 7rzj by Molmil
CRYSTAL STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH MLL(747-755) PHOSPHOPEPTIDE
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-7 alpha chain, ...
著者Patskovsky, Y, Patskovska, L, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M.
登録日2021-08-27
公開日2022-11-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular mechanism of phosphopeptide neoantigen immunogenicity.
Nat Commun, 14, 2023
6Q27
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N-acetylmannosamine kinase with N-acetylmannosamine from Staphylococcus aureus
分子名称: 2-acetamido-2-deoxy-alpha-D-mannopyranose, Glucokinase
著者Coombes, D, Horne, C.R, Davies, J.S, Dobson, R.C.J.
登録日2019-08-07
公開日2020-01-22
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The basis for non-canonical ROK family function in theN-acetylmannosamine kinase from the pathogenStaphylococcus aureus.
J.Biol.Chem., 295, 2020
6QGD
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BU of 6qgd by Molmil
Structure of human Mcl-1 in complex with thienopyrimidine inhibitor
分子名称: 2-[(6-ethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]-3-oxidanyl-propanoic acid, Maltose-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, SODIUM ION, ...
著者Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E.
登録日2019-01-11
公開日2019-06-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
6QIX
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BU of 6qix by Molmil
The crystal structure of Trichuris muris p43
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ...
著者Levy, C.W.
登録日2019-01-21
公開日2019-06-12
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献The major secreted protein of the whipworm parasite tethers to matrix and inhibits interleukin-13 function.
Nat Commun, 10, 2019
7SPM
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BU of 7spm by Molmil
Replication Initiator Protein REPE54 and cognate DNA sequence with terminal three prime phosphates chemically crosslinked (30 mg/mL EDC, 12 hours, 2 doses).
分子名称: DNA (5'-D(*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*A)-3'), DNA (5'-D(*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*A)-3'), MAGNESIUM ION, ...
著者Ward, A.R, Snow, C.D.
登録日2021-11-02
公開日2021-11-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.28 Å)
主引用文献Stabilizing DNA-Protein Co-Crystals via Intra-Crystal Chemical Ligation of the DNA
Crystals, 12, 2022
7SOZ
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BU of 7soz by Molmil
Replication Initiator Protein REPE54 and cognate DNA sequence with terminal three prime phosphates chemically crosslinked (5 mg/mL EDC, 12 hours).
分子名称: DNA (5'-D(*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*A)-3'), DNA (5'-D(*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*A)-3'), MAGNESIUM ION, ...
著者Ward, A.R, Snow, C.D.
登録日2021-11-01
公開日2021-11-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.14 Å)
主引用文献Modular Protein-DNA Cocrystals as Precise, Programmable Assembly Scaffolds.
Acs Nano, 17, 2023
6Q63
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BT0459
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-hexosaminidase, CALCIUM ION, ...
著者Basle, A, Crouch, L, Bolam, D.
登録日2018-12-10
公開日2019-05-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Complex N-glycan breakdown by gut Bacteroides involves an extensive enzymatic apparatus encoded by multiple co-regulated genetic loci.
Nat Microbiol, 4, 2019
8HGM
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BU of 8hgm by Molmil
Structure of SARS-CoV-2 spike RBD in complex with neutralizing antibody NIV-11
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, NIV-11 Fab heavy chain, NIV-11 Fab light chain, ...
著者Moriyama, S, Anraku, Y, Muranishi, S, Adachi, Y, Kuroda, D, Higuchi, Y, Kotaki, R, Tonouchi, K, Yumoto, K, Suzuki, T, Kita, S, Someya, T, Fukuhara, H, Kuroda, Y, Yamamoto, T, Onodera, T, Fukushi, S, Maeda, K, Nakamura-Uchiyama, F, Hashiguchi, T, Hoshino, A, Maenaka, K, Takahashi, Y.
登録日2022-11-15
公開日2023-10-25
最終更新日2024-09-25
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural delineation and computational design of SARS-CoV-2-neutralizing antibodies against Omicron subvariants.
Nat Commun, 14, 2023
7SXR
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Cryo-EM structure of the SARS-CoV-2 D614G mutant spike protein 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Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Kim, A, Li, W, Dimitrov, D.S, Subramaniam, S.
登録日2021-11-24
公開日2021-12-29
最終更新日2022-01-05
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural analysis of receptor binding domain mutations in SARS-CoV-2 variants of concern that modulate ACE2 and antibody binding.
Cell Rep, 37, 2021
7SXT
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Cryo-EM structure of the SARS-CoV-2 D614G,N501Y mutant spike protein 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Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Kim, A, Li, W, Dimitrov, D.S, Subramaniam, S.
登録日2021-11-24
公開日2021-12-29
最終更新日2022-01-05
実験手法ELECTRON MICROSCOPY (2.31 Å)
主引用文献Structural analysis of receptor binding domain mutations in SARS-CoV-2 variants of concern that modulate ACE2 and antibody binding.
Cell Rep, 37, 2021

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