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6QZC
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BU of 6qzc by Molmil
HLA-DR1 with the QAR Peptide
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Greenshields-Watson, A, Rizkallah, P.J.
登録日2019-03-11
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献CD4+T Cells Recognize Conserved Influenza A Epitopes through Shared Patterns of V-Gene Usage and Complementary Biochemical Features.
Cell Rep, 32, 2020
7Q8Y
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BU of 7q8y by Molmil
Crystal structure of TTBK2 in complex with VNG2.73 (compound 42)
分子名称: PHOSPHATE ION, Tau-tubulin kinase 2, ~{N}-[4-(2-chloranylphenoxy)phenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine
著者Chaikuad, A, Nozal, V, Martinez, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2021-11-11
公開日2022-03-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献TDP-43 Modulation by Tau-Tubulin Kinase 1 Inhibitors: A New Avenue for Future Amyotrophic Lateral Sclerosis Therapy.
J.Med.Chem., 65, 2022
6ZHM
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BU of 6zhm by Molmil
Crystal Structure of Staphylococcus aureus RsgA bound to GDP.
分子名称: 1,2-ETHANEDIOL, GUANOSINE-5'-DIPHOSPHATE, Small ribosomal subunit biogenesis GTPase RsgA, ...
著者Bennison, D.J, Rafferty, J.B, Corrigan, R.M.
登録日2020-06-23
公開日2021-06-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The Stringent Response Inhibits 70S Ribosome Formation in Staphylococcus aureus by Impeding GTPase-Ribosome Interactions.
Mbio, 12, 2021
6Z3I
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BU of 6z3i by Molmil
Structure of recombinant beta-glucocerebrosidase in complex with bifunctional cyclophellitol aziridine activity based probe
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Lysosomal acid glucosylceramidase, ...
著者Rowland, R.J, Davies, G.J.
登録日2020-05-20
公開日2021-06-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design, Synthesis and Structural Analysis of Glucocerebrosidase Imaging Agents.
Chemistry, 27, 2021
6HYG
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BU of 6hyg by Molmil
Heteromeric tandem IgG4/IgG1 Fc
分子名称: IgHG1 and IgHG4 hybrid, ZINC ION
著者Casaletto, J.B, Geddie, M.L, Abu-Yousif, A.O, Masson, K, Fulgham, A, Boudot, A, Maiwald, T, Kearns, J.D, Kohli, N, Su, S, Razlog, M, Raue, A, Kalra, A, Hakansson, M, Logan, D.T, Welin, M, Chattopadhyay, S, Harms, B.D, Nielsen, U.B, Schoeberl, B, Lugovskoy, A.A, MacBeath, G.
登録日2018-10-21
公開日2019-03-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献MM-131, a bispecific anti-Met/EpCAM mAb, inhibits HGF-dependent and HGF-independent Met signaling through concurrent binding to EpCAM.
Proc.Natl.Acad.Sci.USA, 116, 2019
7QNQ
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BU of 7qnq by Molmil
Structure of the Aux2 relaxosome protein of plasmid pLS20
分子名称: Auxiliary relaxosome protein, CHLORIDE ION, MAGNESIUM ION
著者Boer, D.R, Crespo, I.
登録日2021-12-22
公開日2022-03-09
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structural and biochemical characterization of the relaxosome auxiliary proteins encoded on the Bacillus subtilis plasmid pLS20.
Comput Struct Biotechnol J, 20, 2022
6Z9Y
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BU of 6z9y by Molmil
Copper transporter OprC
分子名称: COPPER (II) ION, Putative copper transport outer membrane porin OprC
著者Bhamidimarri, S.P, van den Berg, B.
登録日2020-06-04
公開日2021-06-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Acquisition of ionic copper by the bacterial outer membrane protein OprC through a novel binding site.
Plos Biol., 19, 2021
6GH9
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BU of 6gh9 by Molmil
USP15 catalytic domain in complex with small molecule
分子名称: 1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)-9,10-ANTHRACENEDIONE, DIMETHYL SULFOXIDE, Ubiquitin carboxyl-terminal hydrolase 15, ...
著者Ward, S.J, Gratton, H.E, Caulton, S.G, Emsley, J, Dreveny, I.
登録日2018-05-06
公開日2018-09-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献The structure of the deubiquitinase USP15 reveals a misaligned catalytic triad and an open ubiquitin-binding channel.
J. Biol. Chem., 293, 2018
8BCT
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BU of 8bct by Molmil
X-ray crystal structure of a de novo selected helix-loop-helix heterodimer in a syn arrangement, 26alpha/26beta
分子名称: 26alpha, 26beta, ACETATE ION, ...
著者Naudin, E.A, Mylemans, B, Smith, A.J, Savery, N.J, Woolfson, D.N.
登録日2022-10-17
公開日2023-06-07
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design and Selection of Heterodimerizing Helical Hairpins for Synthetic Biology.
Acs Synth Biol, 12, 2023
5G2U
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BU of 5g2u by Molmil
Structure of BT1596,a 2-O GAG sulfatase
分子名称: 2-O GLYCOSAMINOGLYCAN SULFATASE, CITRIC ACID, ZINC ION
著者Cartmell, A, Lowe, E.C, Basle, A, Crouch, L.I, Czjzek, M, Turnbull, J, Henrissat, B, Terrapon, N, Thomas, S, Murray, H, Firbank, S.J, Bolam, D.N.
登録日2016-04-14
公開日2017-05-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献How members of the human gut microbiota overcome the sulfation problem posed by glycosaminoglycans.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6HYI
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BU of 6hyi by Molmil
Regulatory subunit of a cAMP-independent protein kinase A from Trypanosoma cruzi at 1.4 A resolution in complex with inosine
分子名称: INOSINE, Protein kinase A regulatory subunit
著者Volpato Santos, Y, Lorentzen, E, Basquin, J, Boshart, M.
登録日2018-10-22
公開日2019-11-13
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.39944851 Å)
主引用文献Purine nucleosides replace cAMP in allosteric regulation of PKA in trypanosomatid pathogens.
Elife, 12, 2024
8BOQ
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BU of 8boq by Molmil
A. vinelandii Fe-nitrogenase FeFe protein
分子名称: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE(8)-S(7) CLUSTER, Fe-only nitrogenase, ...
著者Trncik, C, Detemple, F, Einsle, O.
登録日2022-11-15
公開日2023-06-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.547 Å)
主引用文献Iron-only Fe-nitrogenase underscores common catalytic principles in biological nitrogen fixation
Nat Catal, 2023
6BP6
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BU of 6bp6 by Molmil
Crystal structure of Commd9 COMM domain
分子名称: COMM domain-containing protein 9
著者Healy, M.D, Chandra, M, Collins, B.M, Ghai, R.
登録日2017-11-22
公開日2018-08-15
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Structural insights into the architecture and membrane interactions of the conserved COMMD proteins.
Elife, 7, 2018
7M55
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BU of 7m55 by Molmil
B6 Fab fragment bound to the MERS-CoV spike stem helix peptide
分子名称: B6 antigen binding fragment (Fab) heavy chain, B6 antigen binding fragment (Fab) light chain, GLYCEROL, ...
著者Sauer, M.M, Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2021-03-22
公開日2021-05-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural basis for broad coronavirus neutralization.
Nat.Struct.Mol.Biol., 28, 2021
7QY3
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BU of 7qy3 by Molmil
Crystal structure of the halohydrin dehalogenase HheG D114C mutant cross-linked with BMOE
分子名称: 1,1'-ethane-1,2-diylbis(1H-pyrrole-2,5-dione), Putative oxidoreductase, SULFATE ION
著者Henke, S, Blankenfeldt, W, Schallmey, A.
登録日2022-01-27
公開日2022-03-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Biocatalytically active and stable cross-linked enzyme crystals of halohydrin dehalogenase HheG by protein engineering
Chemcatchem, 2022
5UTR
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BU of 5utr by Molmil
Crystal structure of Burkholderia cenocepacia family 3 glycoside hydrolase (NagZ) bound to (3S,4R,5R,6S)-3-butyryl-4,5,6-trihydroxyazepane
分子名称: Beta-hexosaminidase, N-[(3S,4R,5R,6S)-4,5,6-trihydroxyazepan-3-yl]butanamide
著者Vadlamani, G, Mark, B.L.
登録日2017-02-15
公開日2017-04-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Conformational flexibility of the glycosidase NagZ allows it to bind structurally diverse inhibitors to suppress beta-lactam antibiotic resistance.
Protein Sci., 26, 2017
6R26
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BU of 6r26 by Molmil
The photosensory core module (PAS-GAF-PHY) of the bacterial phytochrome Agp1 (AtBphP1) locked in a Pr-like state
分子名称: 3-[2-[(~{Z})-[12-ethyl-6-(3-hydroxy-3-oxopropyl)-13-methyl-11-oxidanylidene-4,10-diazatricyclo[8.3.0.0^{3,7}]trideca-1,3,6,12-tetraen-5-ylidene]methyl]-5-[(~{Z})-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, Bacteriophytochrome protein, CALCIUM ION
著者Scheerer, P, Michael, N, Lamparter, T, Krauss, N.
登録日2019-03-15
公開日2020-04-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Crystal structures of the photosensory core module of bacteriophytochrome Agp1 reveal pronounced structural flexibility of this protein in the red-absorbing Pr state
To Be Published
6HYQ
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BU of 6hyq by Molmil
Regulatory subunit of a cAMP-independent protein kinase A from Trypanosoma cruzi bound to guanosine
分子名称: ACETATE ION, GUANOSINE, Protein kinase A regulatory subunit
著者Volpato Santos, Y, Lorentzen, E, Basquin, J, Boshart, M.
登録日2018-10-22
公開日2019-11-13
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Regulatory subunit of a cAMP-independent protein kinase A from Trypanosoma cruzi in complex with guanosine
to be published
7Q8Z
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BU of 7q8z by Molmil
Crystal structure of TTBK2 in complex with VNG1.33 (compound 27)
分子名称: PHOSPHATE ION, Tau-tubulin kinase 2, ~{N}-(4-phenoxyphenyl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine
著者Chaikuad, A, Nozal, V, Martinez, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2021-11-11
公開日2022-03-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献TDP-43 Modulation by Tau-Tubulin Kinase 1 Inhibitors: A New Avenue for Future Amyotrophic Lateral Sclerosis Therapy.
J.Med.Chem., 65, 2022
6ZHL
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BU of 6zhl by Molmil
Crystal Structure of Staphylococcus aureus RsgA bound to ppGpp.
分子名称: 1,2-ETHANEDIOL, GUANOSINE-5',3'-TETRAPHOSPHATE, Small ribosomal subunit biogenesis GTPase RsgA, ...
著者Bennison, D.J, Rafferty, J.B, Corrigan, R.M.
登録日2020-06-23
公開日2021-06-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献The Stringent Response Inhibits 70S Ribosome Formation in Staphylococcus aureus by Impeding GTPase-Ribosome Interactions.
Mbio, 12, 2021
8R37
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BU of 8r37 by Molmil
Klebsiella pneumoniae fosfomycin-resistance protein (FosAKP)
分子名称: FOSFOMYCIN, FosA family fosfomycin resistance glutathione transferase, L(+)-TARTARIC ACID, ...
著者Papageorgiou, A.C, Varotsou, C, Labrou, N.E.
登録日2023-11-08
公開日2024-01-24
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Structural Studies of Klebsiella pneumoniae Fosfomycin-Resistance Protein and Its Application for the Development of an Optical Biosensor for Fosfomycin Determination.
Int J Mol Sci, 25, 2023
5UU1
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BU of 5uu1 by Molmil
Crystal Structure of Human Vaccinia-related kinase 2 (VRK-2) bound to BI-D1870
分子名称: (7S)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one, Serine/threonine-protein kinase VRK2
著者Counago, R.M, Bountra, C, Arruda, P, Edwards, A.M, Gileadi, O, Structural Genomics Consortium (SGC)
登録日2017-02-15
公開日2017-03-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural characterization of human Vaccinia-Related Kinases (VRK) bound to small-molecule inhibitors identifies different P-loop conformations.
Sci Rep, 7, 2017
6ZJO
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BU of 6zjo by Molmil
Crystal Structure of Staphylococcus aureus RsgA.
分子名称: 1,2-ETHANEDIOL, PHOSPHATE ION, Small ribosomal subunit biogenesis GTPase RsgA, ...
著者Bennison, D.J, Rafferty, J.B, Corrigan, R.M.
登録日2020-06-29
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献The Stringent Response Inhibits 70S Ribosome Formation in Staphylococcus aureus by Impeding GTPase-Ribosome Interactions.
Mbio, 12, 2021
5G4P
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BU of 5g4p by Molmil
Crystal structure of human hippocalcin at 2.4 A resolution
分子名称: CALCIUM ION, Neuron-specific calcium-binding protein hippocalcin
著者Antonyuk, S.V, Helassa, N, Lian, L.Y, Haynes, L.P, Burgoyne, R.D.
登録日2016-05-15
公開日2017-05-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Biophysical and functional characterization of hippocalcin mutants responsible for human dystonia.
Hum. Mol. Genet., 26, 2017
6GJ7
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BU of 6gj7 by Molmil
CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH 22
分子名称: (3~{S})-5-oxidanyl-3-[2-[[[1-(phenylmethyl)indol-6-yl]methylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ...
著者Kessler, D, Mcconnell, D.M, Mantoulidis, A.
登録日2018-05-16
公開日2019-07-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Drugging an undruggable pocket on KRAS.
Proc.Natl.Acad.Sci.USA, 116, 2019

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件を2024-08-28に公開中

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