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4M9G
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DNA Polymerase Beta E295K Binary Complex
分子名称: CHLORIDE ION, DNA Downstream Strand, DNA Primer Strand, ...
著者Eckenroth, B.E, Doublie, S.
登録日2013-08-14
公開日2013-10-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献The E295K Cancer Variant of Human Polymerase beta Favors the Mismatch Conformational Pathway during Nucleotide Selection.
J.Biol.Chem., 288, 2013
7N28
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BU of 7n28 by Molmil
Cryo-EM structure of broadly neutralizing V2-apex-targeting antibody J033 in complex with HIV-1 Env
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, 3BNC117 antibody heavy chain, ...
著者Zhou, T, Gao, F.
登録日2021-05-28
公開日2022-04-06
最終更新日2022-06-22
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Development of Neutralization Breadth against Diverse HIV-1 by Increasing Ab-Ag Interface on V2.
Adv Sci, 9, 2022
6ENS
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BU of 6ens by Molmil
Structure of mouse wild-type RKIP
分子名称: ACETATE ION, GLYCEROL, Phosphatidylethanolamine-binding protein 1
著者Hirschbeck, M, Koelmel, W, Schindelin, H, Lorenz, K, Kisker, C.
登録日2017-10-06
公開日2017-12-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Conserved salt-bridge competition triggered by phosphorylation regulates the protein interactome.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
7N59
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BU of 7n59 by Molmil
Structure of AtAtm3 in the inward-facing conformation with GSSG bound
分子名称: ABC transporter B family member 25, mitochondrial, OXIDIZED GLUTATHIONE DISULFIDE
著者Fan, C, Rees, D.C.
登録日2021-06-05
公開日2022-04-13
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Glutathione binding to the plant At Atm3 transporter and implications for the conformational coupling of ABC transporters.
Elife, 11, 2022
8RV5
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BU of 8rv5 by Molmil
SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 1
分子名称: 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5'-DEOXY-5'-METHYLTHIOADENOSINE, ...
著者Kalnins, G.
登録日2024-01-31
公開日2024-02-14
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 1
To Be Published
8EWV
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BU of 8ewv by Molmil
DNA-encoded library (DEL)-enabled discovery of proximity inducing small molecules
分子名称: Bromodomain-containing protein 4, Elongin-B, Elongin-C, ...
著者Schreiber, S.L, Shu, W, Ma, X, Michaud, G, Bonazzi, S, Berst, F.
登録日2022-10-24
公開日2023-10-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献DNA-encoded library-enabled discovery of proximity-inducing small molecules.
Nat.Chem.Biol., 20, 2024
8RV7
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BU of 8rv7 by Molmil
SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 4
分子名称: 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanylmethyl]-5-(3-oxidanylprop-1-ynyl)benzoic acid, ...
著者Kalnins, G.
登録日2024-01-31
公開日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 4
To Be Published
7N5A
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BU of 7n5a by Molmil
Structure of AtAtm3 in the closed conformation
分子名称: ABC transporter B family member 25, mitochondrial, ADENOSINE-5'-DIPHOSPHATE, ...
著者Fan, C, Rees, D.C.
登録日2021-06-05
公開日2022-04-13
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.95 Å)
主引用文献Glutathione binding to the plant At Atm3 transporter and implications for the conformational coupling of ABC transporters.
Elife, 11, 2022
8ERB
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BU of 8erb by Molmil
Crystal structure of Fub7 in complex with vinylglycine ketimine
分子名称: (2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]but-3-enoic acid, Sulfhydrylase FUB7
著者Hai, Y.
登録日2022-10-11
公開日2023-10-18
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Molecular and Structural Basis for C gamma-C Bond Formation by PLP-Dependent Enzyme Fub7.
Angew.Chem.Int.Ed.Engl., 63, 2024
7N4T
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BU of 7n4t by Molmil
Low conductance mechanosensitive channel YnaI
分子名称: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Low conductance mechanosensitive channel YnaI
著者Catalano, C, Ben-Hail, D, Qiu, W, des Georges, A, Guo, Y.
登録日2021-06-04
公開日2022-04-20
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.4 Å)
主引用文献Cryo-EM Structure of Mechanosensitive Channel YnaI Using SMA2000: Challenges and Opportunities.
Membranes (Basel), 11, 2021
4M53
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BU of 4m53 by Molmil
Gamma subunit of the translation initiation factor 2 from Sulfolobus solfataricus in complex with GDPCP
分子名称: BETA-MERCAPTOETHANOL, FORMIC ACID, MAGNESIUM ION, ...
著者Nikonov, O.S, Stolboushkina, E.A, Arkhipova, V.I, Lazopulo, A.M, Lazopulo, S.M, Gabdulkhakov, A.G, Nikulin, A.D, Garber, M.B, Nikonov, S.V.
登録日2013-08-07
公開日2013-08-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Conformational transitions in the gamma subunit of the archaeal translation initiation factor 2.
Acta Crystallogr.,Sect.D, 70, 2014
8SXN
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BU of 8sxn by Molmil
Structure of NLRP3 and NEK7 complex
分子名称: 1-[4-(2-oxidanylpropan-2-yl)furan-2-yl]sulfonyl-3-(1,2,3,5-tetrahydro-s-indacen-4-yl)urea, ADENOSINE-5'-TRIPHOSPHATE, NACHT, ...
著者Yu, X, Matico, R.E, Miller, R, Schoubroeck, B.V, Grauwen, K, Suarez, J, Pietrak, B, Haloi, N, Yin, Y, Tresadern, G.J, Perez-Benito, L, Lindahl, E, Bottelbergs, A, Oehlrich, D, Opdenbosch, N.V, Sharma, S.
登録日2023-05-22
公開日2024-02-14
実験手法ELECTRON MICROSCOPY (4.04 Å)
主引用文献Cryo-EM structures of NLRP3 reveal its self-activation mechanism
Nat Commun, 2024
4M93
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Unliganded 2 crystal structure of S25-26 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ...
著者Haji-Ghassemi, O, Evans, S.V.
登録日2013-08-14
公開日2014-04-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Groove-type Recognition of Chlamydiaceae-specific Lipopolysaccharide Antigen by a Family of Antibodies Possessing an Unusual Variable Heavy Chain N-Linked Glycan.
J.Biol.Chem., 289, 2014
6EOX
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BU of 6eox by Molmil
Crystal structure of MMP12 in complex with carboxylic inhibitor LP165.
分子名称: 2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylphenyl]ethanoic acid, CALCIUM ION, Macrophage metalloelastase, ...
著者Vera, L, Nuti, E, Rossello, A, Stura, E.A.
登録日2017-10-10
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Development of Thioaryl-Based Matrix Metalloproteinase-12 Inhibitors with Alternative Zinc-Binding Groups: Synthesis, Potentiometric, NMR, and Crystallographic Studies.
J. Med. Chem., 61, 2018
8SWF
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BU of 8swf by Molmil
Cryo-EM structure of NLRP3 open octamer
分子名称: NACHT, LRR and PYD domains-containing protein 3
著者Yu, X, Matico, R.E, Miller, R, Schoubroeck, B.V, Grauwen, K, Suarez, J, Pietrak, B, Haloi, N, Yin, Y, Tresadern, G.J, Perez-Benito, L, Lindahl, E, Bottelbergs, A, Oehlrich, D, Opdenbosch, N.V, Sharma, S.
登録日2023-05-18
公開日2024-02-14
実験手法ELECTRON MICROSCOPY (3.39 Å)
主引用文献Cryo-EM structures of NLRP3 reveal its self-activation mechanism
Nat Commun, 2024
6E39
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BU of 6e39 by Molmil
Capsid protein of PCV2 with 2-O-sulfo-alpha-L-idopyranuronic acid and N,O6-DISULFO-GLUCOSAMINE
分子名称: 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid, Capsid protein of PCV2
著者Khayat, R, Dhindwal, S.
登録日2018-07-13
公開日2018-12-26
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Porcine Circovirus 2 Uses a Multitude of Weak Binding Sites To Interact with Heparan Sulfate, and the Interactions Do Not Follow the Symmetry of the Capsid.
J.Virol., 93, 2019
8RV6
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BU of 8rv6 by Molmil
SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 2
分子名称: 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanylmethyl]-5-(4-hydroxyphenyl)benzoic acid, ...
著者Kalnins, G.
登録日2024-01-31
公開日2024-02-14
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 3
To Be Published
6E30
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BU of 6e30 by Molmil
Mechanism of cellular recognition by PCV2
分子名称: 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, Capsid protein of PCV2
著者Khayat, R, Dhindwal, S.
登録日2018-07-12
公開日2018-12-26
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Porcine Circovirus 2 Uses a Multitude of Weak Binding Sites To Interact with Heparan Sulfate, and the Interactions Do Not Follow the Symmetry of the Capsid.
J.Virol., 93, 2019
6E69
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BU of 6e69 by Molmil
Ortho-substituted phenyl sulfonyl fluoride and fluorosulfate as potent elastase inhibitory fragments
分子名称: 2-(fluorosulfonyl)benzene-1-sulfonic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wolan, D.W, Woehl, J.L, Kitamura, S.
登録日2018-07-24
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献SuFEx-enabled, agnostic discovery of covalent inhibitors of human neutrophil elastase.
Proc.Natl.Acad.Sci.USA, 116, 2019
4MCK
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BU of 4mck by Molmil
Crystal structure of Family GH19, Class IV chitinase from Zea mays
分子名称: Chitinase
著者Chaudet, M.M, Rose, D.R.
登録日2013-08-21
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystallographic structure of ChitA, a glycoside hydrolase family 19, plant class IV chitinase from Zea mays.
Protein Sci., 23, 2014
8RV8
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BU of 8rv8 by Molmil
SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 5
分子名称: 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]-2-chloranyl-benzoic acid, ...
著者Kalnins, G.
登録日2024-01-31
公開日2024-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 5
To Be Published
6E6R
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BU of 6e6r by Molmil
1.50 A resolution structure of the C-terminally truncated [2Fe-2S] ferredoxin (Bfd) R26E mutant from Pseudomonas aeruginosa
分子名称: Bacterioferritin-associated ferredoxin, FE2/S2 (INORGANIC) CLUSTER
著者Lovell, S, Wijerathne, H, Battaile, K.P, Yao, H, Wang, Y, Rivera, M.
登録日2018-07-25
公開日2018-09-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Bfd, a New Class of [2Fe-2S] Protein That Functions in Bacterial Iron Homeostasis, Requires a Structural Anion Binding Site.
Biochemistry, 57, 2018
8RXN
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BU of 8rxn by Molmil
REFINEMENT OF RUBREDOXIN FROM DESULFOVIBRIO VULGARIS AT 1.0 ANGSTROMS WITH AND WITHOUT RESTRAINTS
分子名称: FE (III) ION, RUBREDOXIN, SULFATE ION
著者Dauter, Z, Sieker, L, Wilson, K.
登録日1991-08-26
公開日1993-10-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Refinement of rubredoxin from Desulfovibrio vulgaris at 1.0 A with and without restraints.
Acta Crystallogr.,Sect.B, 48, 1992
6E8D
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BU of 6e8d by Molmil
Crystal structure of the Bacillus subtilis sliding clamp-MutL complex.
分子名称: Beta sliding clamp,DNA mismatch repair protein MutL, GLYCEROL
著者Guarne, A, Almawi, A.W.
登録日2018-07-28
公開日2019-05-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Binding of the regulatory domain of MutL to the sliding beta-clamp is species specific.
Nucleic Acids Res., 47, 2019
7MZ2
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Structure of human DNA polymerase beta complexed with dzA at N-1 of the template base paired with incoming dTTP
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA (5'-D(*CP*CP*GP*AP*CP*GP*(4DU)P*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*T)-3'), ...
著者Koag, M.-C, Lee, S.
登録日2021-05-23
公開日2022-05-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.088 Å)
主引用文献Structure of human DNA polymerase beta complexed with dzA at N-1 of the template base paired with incoming dTTP
To Be Published

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件を2024-08-21に公開中

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