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6NQD
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BU of 6nqd by Molmil
Cryo-EM structure of T/F100 SOSIP.664 HIV-1 Env trimer in complex with 8ANC195 Fab
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, 8ANC195 G52K5 heavy chain, ...
著者Fang, Q, Rossmann, M.G.
登録日2019-01-21
公開日2019-03-06
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献A sequestered fusion peptide in the structure of an HIV-1 transmitted founder envelope trimer.
Nat Commun, 10, 2019
6NDX
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BU of 6ndx by Molmil
Lysinoalanine cross-linked FlgE dimer from Treponema denticola
分子名称: Flagellar hook protein FlgE
著者Lynch, M.J, Crane, B.R.
登録日2018-12-14
公開日2019-08-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.04 Å)
主引用文献Structure and chemistry of lysinoalanine crosslinking in the spirochaete flagella hook.
Nat.Chem.Biol., 15, 2019
7RGG
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BU of 7rgg by Molmil
Room temperature serial crystal structure of Glutaminase C in complex with inhibitor BPTES
分子名称: Glutaminase kidney isoform, mitochondrial 68 kDa chain, N,N'-[sulfanediylbis(ethane-2,1-diyl-1,3,4-thiadiazole-5,2-diyl)]bis(2-phenylacetamide)
著者Milano, S.K, Finke, A, Cerione, R.A.
登録日2021-07-15
公開日2022-05-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献New insights into the molecular mechanisms of glutaminase C inhibitors in cancer cells using serial room temperature crystallography.
J.Biol.Chem., 298, 2022
7REN
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BU of 7ren by Molmil
Room temperature serial crystal structure of Glutaminase C in complex with inhibitor UPGL-00004
分子名称: 2-phenyl-N-{5-[4-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}amino)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide, Glutaminase kidney isoform, mitochondrial
著者Milano, S.K, Finke, A, Cerione, R.A.
登録日2021-07-13
公開日2022-05-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献New insights into the molecular mechanisms of glutaminase C inhibitors in cancer cells using serial room temperature crystallography.
J.Biol.Chem., 298, 2022
6BS3
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BU of 6bs3 by Molmil
Crystal structure of ADP-bound bacterial Get3-like A and B in Mycobacterium tuberculosis
分子名称: ADENOSINE-5'-DIPHOSPHATE, Anion transporter, CALCIUM ION, ...
著者Li, H, Hu, K, Kovach, A.
登録日2017-12-01
公開日2019-05-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Characterization of Guided Entry of Tail-Anchored Proteins 3 Homologues in Mycobacterium tuberculosis.
J.Bacteriol., 201, 2019
6NDV
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BU of 6ndv by Molmil
FlgE D2 domain K336A mutant
分子名称: Flagellar hook protein FlgE
著者Lynch, M.J, Crane, B.R.
登録日2018-12-14
公開日2019-08-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.502 Å)
主引用文献Structure and chemistry of lysinoalanine crosslinking in the spirochaete flagella hook.
Nat.Chem.Biol., 15, 2019
6NDW
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BU of 6ndw by Molmil
Crystal structure of the wild type D2 domain (A168-T344) of the flagellar hook protein FlgE from Treponema denticola
分子名称: Flagellar hook protein FlgE
著者Lynch, M.J, Crane, B.R.
登録日2018-12-14
公開日2019-08-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.725 Å)
主引用文献Structure and chemistry of lysinoalanine crosslinking in the spirochaete flagella hook.
Nat.Chem.Biol., 15, 2019
6NRE
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BU of 6nre by Molmil
Monomeric Lipocalin Can F 6
分子名称: Lipocalin-Can f 6 allergen
著者Clayton G, M, Kappler J, W, Chan, S.
登録日2019-01-23
公開日2019-09-25
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Structural characteristics of lipocalin allergens: Crystal structure of the immunogenic dog allergen Can f 6.
Plos One, 14, 2019
5BQG
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BU of 5bqg by Molmil
Crystal Structure of mPGES-1 Bound to an Inhibitor
分子名称: 2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide, DI(HYDROXYETHYL)ETHER, GLUTATHIONE, ...
著者Fisher, M.J, Schiffler, M.A, Kuklish, S.L, Antonysamy, S, Luz, J.G.
登録日2015-05-29
公開日2016-04-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.436 Å)
主引用文献Discovery and Characterization of 2-Acylaminoimidazole Microsomal Prostaglandin E Synthase-1 Inhibitors.
J.Med.Chem., 59, 2016
6BGL
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BU of 6bgl by Molmil
Doubly PafE-capped 20S core particle in Mycobacterium tuberculosis
分子名称: Bacterial proteasome activator, Proteasome subunit alpha, Proteasome subunit beta
著者Li, H, Hu, K.
登録日2017-10-28
公開日2018-02-14
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Proteasome substrate capture and gate opening by the accessory factor PafE fromMycobacterium tuberculosis.
J. Biol. Chem., 293, 2018
8AP5
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BU of 8ap5 by Molmil
Cadmium-loaded form of Caenorhabditis elegans MTL-2
分子名称: CADMIUM ION, Metallothionein-2
著者Leszczyszyn, O.I, Sturzenbaum, S.R, Blindauer, C.A.
登録日2022-08-09
公開日2024-01-17
実験手法SOLUTION NMR
主引用文献Juggling cadmium detoxification and zinc homeostasis: A division of labour between the two C. elegans metallothioneins.
Chemosphere, 350, 2023
8AQ9
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BU of 8aq9 by Molmil
Domain 2 of zinc-loaded Caenorhabditis elegans MTL-1
分子名称: Metallothionein-1, ZINC ION
著者Leszczyszyn, O.I, Sturzenbaum, S.R, Blindauer, C.A.
登録日2022-08-11
公開日2024-01-17
実験手法SOLUTION NMR
主引用文献Juggling cadmium detoxification and zinc homeostasis: A division of labour between the two C. elegans metallothioneins.
Chemosphere, 350, 2023
6BGO
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BU of 6bgo by Molmil
Singly PafE-capped 20S CP in Mycobacterium tuberculosis
分子名称: Bacterial proteasome activator, Proteasome subunit alpha, Proteasome subunit beta
著者Li, H, Hu, K.
登録日2017-10-29
公開日2018-02-14
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Proteasome substrate capture and gate opening by the accessory factor PafE fromMycobacterium tuberculosis.
J. Biol. Chem., 293, 2018
5WXC
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BU of 5wxc by Molmil
Crystal Structure of HLA-A*2402 in complex with avian influenza A(H7N9) virus-derived peptide H7-25 (data set 2)
分子名称: Beta-2-microglobulin, H7-25-F, HLA class I histocompatibility antigen, ...
著者Zhao, M, Liu, K, Chai, Y, Qi, J, Liu, J, Gao, G.F.
登録日2017-01-07
公開日2018-01-17
最終更新日2019-07-31
実験手法X-RAY DIFFRACTION (2.295 Å)
主引用文献Heterosubtypic Protections against Human-Infecting Avian Influenza Viruses Correlate to Biased Cross-T-Cell Responses.
Mbio, 9, 2018
5WXD
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BU of 5wxd by Molmil
Crystal Structure of HLA-A*2402 in complex with avian influenza A(H7N9) virus-derived peptide H7-25 (data set 1)
分子名称: Beta-2-microglobulin, H7-25, HLA class I histocompatibility antigen, ...
著者Zhao, M, Liu, K, Chai, Y, Qi, J, Liu, J, Gao, G.F.
登録日2017-01-07
公開日2018-01-17
最終更新日2019-07-31
実験手法X-RAY DIFFRACTION (3.295 Å)
主引用文献Heterosubtypic Protections against Human-Infecting Avian Influenza Viruses Correlate to Biased Cross-T-Cell Responses.
Mbio, 9, 2018
4ZX3
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BU of 4zx3 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 10b
分子名称: DIMETHYL SULFOXIDE, M1 family aminopeptidase, MAGNESIUM ION, ...
著者Drinkwater, N, McGowan, S.
登録日2015-05-20
公開日2016-03-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4ZY1
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BU of 4zy1 by Molmil
X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 10r
分子名称: CARBONATE ION, GLYCEROL, N-{(1R)-2-(hydroxyamino)-1-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]-2-oxoethyl}-2,2-dimethylpropanamide, ...
著者Drinkwater, N, McGowan, S.
登録日2015-05-21
公開日2016-03-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
5W77
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BU of 5w77 by Molmil
Solution structure of the MYC G-quadruplex bound to small molecule DC-34
分子名称: 4-[(azepan-1-yl)methyl]-5-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]-1-benzofuran-3-carboxamide, DNA (5'-D(*TP*GP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*A)-3'), POTASSIUM ION
著者Chen, X, Walters, K.J.
登録日2017-06-19
公開日2018-10-24
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Chemical and structural studies provide a mechanistic basis for recognition of the MYC G-quadruplex.
Nat Commun, 9, 2018
3OEI
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BU of 3oei by Molmil
Crystal structure of Mycobacterium tuberculosis RelJK (Rv3357-Rv3358-RelBE3)
分子名称: CITRATE ANION, RelJ (Antitoxin Rv3357), RelK (Toxin Rv3358)
著者Miallau, L, Cascio, D, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
登録日2010-08-12
公開日2011-03-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.145 Å)
主引用文献Comparative proteomics identifies the cell-associated lethality of M. tuberculosis RelBE-like toxin-antitoxin complexes.
Structure, 21, 2013
1ACX
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BU of 1acx by Molmil
ACTINOXANTHIN STRUCTURE AT THE ATOMIC LEVEL (RUSSIAN)
分子名称: ACTINOXANTHIN
著者Pletnev, V.Z, Kuzin, A.P.
登録日1982-12-17
公開日1983-03-09
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Actinoxanthin Structure at the Atomic Level (Russian)
Bioorg.Khim., 8, 1982
7LGD
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BU of 7lgd by Molmil
HLA-B*07:02 in complex with SARS-CoV-2 nucleocapsid peptide N105-113
分子名称: Beta-2-microglobulin, CHLORIDE ION, HLA class I histocompatibility antigen, ...
著者Gras, S, Szeto, C, Chatzileontiadou, D.S.M.
登録日2021-01-20
公開日2021-04-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献CD8 + T cells specific for an immunodominant SARS-CoV-2 nucleocapsid epitope cross-react with selective seasonal coronaviruses.
Immunity, 54, 2021
7LGT
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BU of 7lgt by Molmil
HLA-B*07:02 in complex with 229E-derived coronavirus nucleocapsid peptide N75-83
分子名称: BROMIDE ION, Beta-2-microglobulin, CHLORIDE ION, ...
著者Gras, S, Szeto, C, Chatzileontiadou, D.S.M.
登録日2021-01-21
公開日2021-04-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献CD8 + T cells specific for an immunodominant SARS-CoV-2 nucleocapsid epitope cross-react with selective seasonal coronaviruses.
Immunity, 54, 2021
5BQI
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BU of 5bqi by Molmil
Discovery of a Potent and Selective mPGES-1 Inhibitor for the Treatment of Pain
分子名称: (2-hydroxyethoxy)acetaldehyde, 2-(difluoromethyl)-5-{[(2-methylpropanoyl)amino]methyl}-N-{5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl}pyridine-3-carboxamide, GLUTATHIONE, ...
著者Fisher, M.J, Schiffler, M.A, Kuklish, S.L, Antonysamy, S, Luz, J.G.
登録日2015-05-29
公開日2016-04-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Discovery and Characterization of 2-Acylaminoimidazole Microsomal Prostaglandin E Synthase-1 Inhibitors.
J.Med.Chem., 59, 2016
5H1U
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BU of 5h1u by Molmil
Complex structure of TRIM24 PHD-bromodomain and inhibitor 2
分子名称: 2-amino-1,3-benzothiazole-6-carboxamide, DIMETHYL SULFOXIDE, Transcription intermediary factor 1-alpha, ...
著者Liu, J.
登録日2016-10-11
公開日2017-02-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献The polar warhead of a TRIM24 bromodomain inhibitor rearranges a water-mediated interaction network
FEBS J., 284, 2017
2KHP
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BU of 2khp by Molmil
Solution structure of Glutaredoxin from Brucella melitensis
分子名称: GLUTAREDOXIN
著者Zheng, S, Leeper, T, Varani, G, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2009-04-10
公開日2009-05-05
最終更新日2020-02-26
実験手法SOLUTION NMR
主引用文献Comparative analysis of glutaredoxin domains from bacterial opportunistic pathogens.
Acta Crystallogr.,Sect.F, 67, 2011

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