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8BJ7
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Desulfovibrio desulfuricans FeFe Hydrogenase C178A mutant in Hinact-like state
分子名称: Binuclear [FeFe], di(thiomethyl)amine, carbon monoxide, ...
著者Bikbaev, K, Span, I.
登録日2022-11-03
公開日2023-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献Binding of exogenous cyanide reveals new active-site states in [FeFe] hydrogenases.
Chem Sci, 14, 2023
8BIY
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BU of 8biy by Molmil
Citrate-free extracytoplasmic PAS domain mutant R93A of sensor histidine kinase CitA from Geobacillus thermodenitrificans
分子名称: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, GLYCEROL, Histidine kinase, ...
著者Becker, S.
登録日2022-11-02
公開日2023-11-15
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Citrate-free extracytoplasmic PAS domain mutant R93A of sensor histidine kinase CitA from Geobacillus thermodenitrificans
To Be Published
8BIV
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Cystathionine gamma-lyase N360S mutant from Toxoplasma gondii
分子名称: Cystathionine beta-lyase, putative, GLYCEROL, ...
著者Fernandez-Rodriguez, C, Conter, C, Oyenarte, I, Favretto, F, Quintana, I, Martinez-Chantar, M.L, Astegno, A, Martinez-Cruz, L.A.
登録日2022-11-02
公開日2023-04-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Structural basis of the inhibition of cystathionine gamma-lyase from Toxoplasma gondii by propargylglycine and cysteine.
Protein Sci., 32, 2023
8BIP
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Structure of a yeast 80S ribosome-bound N-Acetyltransferase B complex
分子名称: 25S rRNA, 5.8S rRNA, 5S rRNA, ...
著者Knorr, A.G, Mackens-Kiani, T, Musial, J, Berninghausen, O, Becker, T, Beatrix, B, Beckmann, R.
登録日2022-11-02
公開日2023-02-08
最終更新日2023-05-03
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献The dynamic architecture of Map1- and NatB-ribosome complexes coordinates the sequential modifications of nascent polypeptide chains.
Plos Biol., 21, 2023
8BIO
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BU of 8bio by Molmil
Crystal structure of human Ephrin type-A receptor 2 (EPHA2) Kinase domain in complex with MRAL5
分子名称: 1,2-ETHANEDIOL, 8-(4-azanylbutyl)-6-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one, Ephrin type-A receptor 2
著者Zhubi, R, Rak, M, Lucic, A, Knapp, S, Kraemer, A, Structural Genomics Consortium (SGC)
登録日2022-11-02
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Shifting the selectivity of pyrido[2,3-d]pyrimidin-7(8H)-one inhibitors towards the salt-inducible kinase (SIK) subfamily.
Eur.J.Med.Chem., 254, 2023
8BIN
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Crystal structure of human Ephrin type-A receptor 2 (EPHA2) Kinase domain in complex with MR21
分子名称: 1,2-ETHANEDIOL, 8-(4-azanylbutyl)-6-(2-chlorophenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one, Ephrin type-A receptor 2
著者Zhubi, R, Rak, M, Knapp, S, Kraemer, A, Structural Genomics Consortium (SGC)
登録日2022-11-02
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Shifting the selectivity of pyrido[2,3-d]pyrimidin-7(8H)-one inhibitors towards the salt-inducible kinase (SIK) subfamily.
Eur.J.Med.Chem., 254, 2023
8BIK
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Crystal structure of human AMPK heterotrimer in complex with allosteric activator C455
分子名称: (3~{R},3~{a}~{R},6~{R},6~{a}~{R})-6-[[6-chloranyl-5-[4-[4-[[dimethyl(oxidanyl)-$l^{4}-sulfanyl]amino]phenyl]phenyl]-3~{H}-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]furan-3-ol, 5'-AMP-activated protein kinase catalytic subunit alpha-2, 5'-AMP-activated protein kinase subunit beta-1, ...
著者Schimpl, M, Mather, K.M, Boland, M.L, Rivers, E.L, Srivastava, A, Hemsley, P, Robinson, J, Wan, P.T, Hansen, J, Read, J.A, Trevaskis, J.L, Smith, D.M.
登録日2022-11-02
公開日2024-05-15
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Direct beta 1/ beta 2 AMPK activation reduces liver steatosis but not fibrosis in a mouse model of non-alcoholic steatohepatitis
Biorxiv, 2024
8BII
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O-Methyltransferase Plu4895 (mutant H229N) in complex with SAH
分子名称: CHLORIDE ION, S-ADENOSYL-L-HOMOCYSTEINE, methyltransferase Plu4895 H229N mutant
著者Huber, E.M, Groll, M.
登録日2022-11-02
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
8BIH
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O-Methyltransferase Plu4890 in complex with SAH and AQ-284b
分子名称: 3,8-dimethoxy-1-oxidanyl-anthracene-9,10-dione, CHLORIDE ION, GLYCEROL, ...
著者Huber, E.M, Groll, M.
登録日2022-11-02
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
8BIF
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BU of 8bif by Molmil
O-Methyltransferase Plu4892 in complex with SAH
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Huber, E.M, Groll, M.
登録日2022-11-02
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
8BID
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BU of 8bid by Molmil
O-Methyltransferase Plu4890 (mutant H229N) in complex with SAH and AQ-270a
分子名称: 1-methoxy-3,8-bis(oxidanyl)anthracene-9,10-dione, CHLORIDE ION, GLYCEROL, ...
著者Huber, E.M, Groll, M.
登録日2022-11-02
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
8BIC
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BU of 8bic by Molmil
O-Methyltransferase Plu4891 in complex with SAH
分子名称: GLYCEROL, S-ADENOSYL-L-HOMOCYSTEINE, SODIUM ION, ...
著者Huber, E.M, Groll, M.
登録日2022-11-02
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
8BIB
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BU of 8bib by Molmil
O-Methyltransferase Plu4890 in complex with SAH and AQ-256
分子名称: 1,3,8-tris(oxidanyl)anthracene-9,10-dione, CARBONATE ION, CHLORIDE ION, ...
著者Huber, E.M, Groll, M.
登録日2022-11-02
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
8BI9
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BU of 8bi9 by Molmil
Structure of a cyclic beta-hairpin peptide derived from neuronal nitric oxide synthase (T112W/T116E variant)
分子名称: Nitric oxide synthase, brain, TERTIARY-BUTYL ALCOHOL
著者Balboa, J.R, Ostergaard, S, Stromgaard, K, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC)
登録日2022-11-01
公開日2022-12-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Development of a Potent Cyclic Peptide Inhibitor of the nNOS/PSD-95 Interaction.
J.Med.Chem., 66, 2023
8BI6
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Crystal structure of human Choline Kinase A in complex with UNC0638
分子名称: 1,2-ETHANEDIOL, 2-cyclohexyl-6-methoxy-N-[1-(1-methylethyl)piperidin-4-yl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine, CHLORIDE ION, ...
著者Diaz-Saez, L, Ward, J, Kennedy, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Huber, K, Structural Genomics Consortium (SGC)
登録日2022-11-01
公開日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of human Choline Kinase A in complex with UNC0638
To Be Published
8BI5
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Crystal structure of human Choline Kinase A in complex with UNC0737
分子名称: 1,2-ETHANEDIOL, 2-cyclohexyl-6-methoxy-~{N}-methyl-~{N}-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine, CHLORIDE ION, ...
著者Diaz-Saez, L, Ward, J, Kennedy, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Huber, K, Structural Genomics Consortium (SGC)
登録日2022-11-01
公開日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of human Choline Kinase A in complex with UNC0737
To Be Published
8BI2
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Syk kinase domain in complex with macrocyclic inhibitor 20a
分子名称: 10,13,23-trimethyl-16-oxa-2,4,8,9,13,19,23,30-octazapentacyclo[19.5.2.1^{3,7}.1^{8,11}.0^{24,28}]triaconta-1(27),3,5,7(30),9,11(29),21,24(28),25-nonaen-20-one, Tyrosine-protein kinase SYK
著者Read, J.A, Patel, J.
登録日2022-11-01
公開日2023-06-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.508 Å)
主引用文献Optimization of a series of novel, potent and selective Macrocyclic SYK inhibitors.
Bioorg.Med.Chem.Lett., 91, 2023
8BHZ
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BU of 8bhz by Molmil
The apo-crystal structure of a variant form of the 28-kDa Schistosoma haematobium glutathione transferase in orthorhombic form
分子名称: Glutathione S-transferase class-mu 28 kDa isozyme
著者Pandian, R, Mfeka, S.M, Onisuru, O, Sayed, Y, Achilonu, I.A.
登録日2022-11-01
公開日2022-11-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Biophysical and biochemical characterization of 28-kDa glutathione transferase from Schistosoma haematobium
To Be Published
8BHY
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BU of 8bhy by Molmil
DNA-PK Ku80 mediated dimer bound to PAXX and XLF
分子名称: DNA (25-MER), DNA (26-MER), DNA (27-MER), ...
著者Hardwick, S.W, Chaplin, A.K.
登録日2022-11-01
公開日2023-06-07
最終更新日2023-06-14
実験手法ELECTRON MICROSCOPY (5.33 Å)
主引用文献PAXX binding to the NHEJ machinery explains functional redundancy with XLF.
Sci Adv, 9, 2023
8BHV
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BU of 8bhv by Molmil
DNA-PK XLF mediated dimer bound to PAXX
分子名称: DNA (24-MER), DNA (26-MER), DNA (27-MER), ...
著者Hardwick, S.W, Chaplin, A.K.
登録日2022-11-01
公開日2023-06-07
最終更新日2023-06-14
実験手法ELECTRON MICROSCOPY (4.51 Å)
主引用文献PAXX binding to the NHEJ machinery explains functional redundancy with XLF.
Sci Adv, 9, 2023
8BHU
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Crystal Structure of SilF (Ag(I) form
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SILVER ION, SULFATE ION, ...
著者Lithgo, R.M, Carr, S.B, Quigley, A.M, Scott, D.J.
登録日2022-11-01
公開日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of SilF (apo form)
To Be Published
8BHF
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Cryo-EM structure of stalled rabbit 80S ribosomes in complex with human CCR4-NOT and CNOT4
分子名称: 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S11, ...
著者Absmeier, E, Chandrasekaran, V, O'Reilly, F.J, Stowell, J.A.W, Rappsilber, J, Passmore, L.A.
登録日2022-10-31
公開日2023-09-06
最終更新日2023-11-01
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Modulation of GluA2-gamma 5 synaptic complex desensitization, polyamine block and antiepileptic perampanel inhibition by auxiliary subunit cornichon-2.
Nat.Struct.Mol.Biol., 30, 2023
8BHD
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N-terminal domain of Plasmodium berghei glutamyl-tRNA synthetase (Tbxo4 derivative crystal structure)
分子名称: GLYCEROL, Glutamate--tRNA ligase, SULFATE ION, ...
著者Benas, P, Jaramillo Ponce, J.R, Legrand, P, Frugier, M, Sauter, C.
登録日2022-10-31
公開日2023-01-25
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (3.17 Å)
主引用文献Solution X-ray scattering highlights discrepancies in Plasmodium multi-aminoacyl-tRNA synthetase complexes.
Protein Sci., 32, 2023
8BH5
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SARS-CoV-2 BA.2.12.1 RBD in complex with Beta-27 Fab and C1 nanobody
分子名称: Beta-27 heavy chain, Beta-27 light chain, GLYCEROL, ...
著者Huo, J, Zhou, D, Ren, J, Stuart, D.I.
登録日2022-10-29
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Humoral responses against SARS-CoV-2 Omicron BA.2.11, BA.2.12.1 and BA.2.13 from vaccine and BA.1 serum.
Cell Discov, 8, 2022
8BH3
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DNA-PK Ku80 mediated dimer bound to PAXX
分子名称: DNA (25-MER), DNA (26-MER), DNA (27-MER), ...
著者Hardwick, S.W, Chaplin, A.K.
登録日2022-10-28
公開日2023-06-07
最終更新日2023-06-14
実験手法ELECTRON MICROSCOPY (4.55 Å)
主引用文献PAXX binding to the NHEJ machinery explains functional redundancy with XLF.
Sci Adv, 9, 2023

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