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8QYR
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BU of 8qyr by Molmil
Beta-cardiac myosin motor domain in the pre-powerstroke state complexed to Mavacamten
分子名称: 1,2-ETHANEDIOL, 6-[[(1~{S})-1-phenylethyl]amino]-3-propan-2-yl-1~{H}-pyrimidine-2,4-dione, ADENOSINE-5'-DIPHOSPHATE, ...
著者Robert-Paganin, J, Kikuti, C, Auguin, D, Rety, S, David, A, Houdusse, A.
登録日2023-10-26
公開日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Omecamtiv mecarbil and Mavacamten target the same myosin pocket despite antagonistic effects in heart contraction.
Biorxiv, 2023
6ZQU
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BU of 6zqu by Molmil
Cryo-EM structure of mature Dengue virus 2 at 3.1 angstrom resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Genome polyprotein
著者Renner, M, Dejnirattisai, W, Carrique, L, Serna Martin, I, Karia, D, Ilca, S.L, Ho, S.F, Kotecha, A, Keown, J.R, Mongkolsapaya, J, Screaton, G.R, Grimes, J.M.
登録日2020-07-10
公開日2021-01-20
最終更新日2021-08-04
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Flavivirus maturation leads to the formation of an occupied lipid pocket in the surface glycoproteins.
Nat Commun, 12, 2021
8QB3
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BU of 8qb3 by Molmil
ADDobody zinc containing condition
分子名称: ADDobody, ZINC ION
著者Buzas, D, Toelzer, C, Berger, I, Schaffitzel, C.
登録日2023-08-24
公開日2023-12-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Engineering the ADDobody protein scaffold for generation of high-avidity ADDomer super-binders.
Structure, 32, 2024
7BON
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BU of 7bon by Molmil
Crystal structure of recombinant horse spleen apo-R52C/E56C/R59C/E63C-Fr
分子名称: 1,2-ETHANEDIOL, CADMIUM ION, CHLORIDE ION, ...
著者Hishikawa, Y, Maity, B, Ito, N, Abe, S, Lu, D, Ueno, T.
登録日2020-03-19
公開日2021-01-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Design of Multinuclear Gold Binding Site at the Two-fold Symmetric Interface of the Ferritin Cage
Chem Lett., 49, 2021
8EDT
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BU of 8edt by Molmil
E. coli Pyruvate kinase (PykF) T462I
分子名称: Pyruvate kinase
著者Donovan, K.A, Coombes, D, Dobson, R.C.J, Cooper, T.F.
登録日2022-09-05
公開日2022-11-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Beneficial mutations occurring in E. coli pyruvate kinase afford new allosteric mechanisms leading to faster resumption of growth
To Be Published
8QBX
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BU of 8qbx by Molmil
Chimeric Adenovirus-derived dodecamer
分子名称: Penton protein
著者Buzas, D, Borucu, U, Bufton, J, Kapadalakere, S.Y, Toelzer, C.
登録日2023-08-25
公開日2023-12-27
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (2.2 Å)
主引用文献Engineering the ADDobody protein scaffold for generation of high-avidity ADDomer super-binders.
Structure, 32, 2024
8E3X
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BU of 8e3x by Molmil
Cryo-EM structure of the PAC1R-PACAP27-Gs complex
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
著者Piper, S.J, Danev, R, Sexton, P, Wootten, D.
登録日2022-08-17
公開日2022-11-23
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献Understanding VPAC receptor family peptide binding and selectivity.
Nat Commun, 13, 2022
8EDS
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BU of 8eds by Molmil
Escherichia coli pyruvate kinase (PykF) P70Q
分子名称: Pyruvate kinase, SULFATE ION
著者Donovan, K.A, Coombes, D, Dobson, R.C.J, Cooper, T.F.
登録日2022-09-05
公開日2022-11-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Beneficial mutations occurring in E. coli pyruvate kinase afford new allosteric mechanisms leading to faster resumption of growth
To Be Published
8EDR
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BU of 8edr by Molmil
E. coli pyruvate kinase (PykF) P70Q
分子名称: Pyruvate kinase, SULFATE ION
著者Donovan, K.A, Coombes, D, Dobson, R.C.J, Cooper, T.F.
登録日2022-09-05
公開日2022-11-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Beneficial mutations occurring in E. coli pyruvate kinase afford new allosteric mechanisms leading to faster resumption of growth
To Be Published
8DOF
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BU of 8dof by Molmil
Pseudomonas aeruginosa MurC with WYH9-2-P - OSA_001044
分子名称: (2R)-2-cyclohexyl-2-[(4-{[5-(propan-2-yl)-1H-pyrazol-3-yl]amino}-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]ethan-1-ol, 1,2-ETHANEDIOL, SULFATE ION, ...
著者Horanyi, P.S, Wang, Y, Todd, M.H, Abendroth, J, Edwards, T, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2022-07-13
公開日2022-08-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Pseudomonas aeruginosa MurC with WYH9-2-P - OSA_001044
To Be Published
7C1K
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BU of 7c1k by Molmil
Crystal structure of the starter condensation domain of rhizomide synthetase RzmA mutant R148A
分子名称: Non-ribosomal peptide synthetase modules
著者Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X.
登録日2020-05-04
公開日2020-11-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.755 Å)
主引用文献Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis.
Nat Commun, 12, 2021
8E3Z
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BU of 8e3z by Molmil
Cryo-EM structure of the VPAC1R-VIP-Gs complex
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
著者Piper, S.J, Danev, R, Sexton, P, Wootten, D.
登録日2022-08-17
公開日2022-11-23
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Understanding VPAC receptor family peptide binding and selectivity.
Nat Commun, 13, 2022
8E3Y
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BU of 8e3y by Molmil
Cryo-EM structure of the VPAC1R-PACAP27-Gs complex
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
著者Piper, S.J, Danev, R, Sexton, P, Wootten, D.
登録日2022-08-17
公開日2022-11-23
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献Understanding VPAC receptor family peptide binding and selectivity.
Nat Commun, 13, 2022
7B9O
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BU of 7b9o by Molmil
Crystal structure of Retinoic Acid Receptor alpha (RXRA) in complexed with S169 inhibitor
分子名称: 3-(5-(3,5-bis(trifluoromethyl)phenyl)-4-phenyloxazol-2-yl)propanoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
著者Ni, X, Chaikuad, A, Schierle, S, Merk, D, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-12-14
公開日2021-02-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Oxaprozin Analogues as Selective RXR Agonists with Superior Properties and Pharmacokinetics.
J.Med.Chem., 64, 2021
8R2I
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BU of 8r2i by Molmil
Cryo-EM Structure of native Photosystem II assembly intermediate from Chlamydomonas reinhardtii
分子名称: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, 2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE, ...
著者Fadeeva, M, Klaiman, D, Kandiah, E, Nelson, N.
登録日2023-11-06
公開日2024-01-31
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structure of native photosystem II assembly intermediate from Chlamydomonas reinhardtii .
Front Plant Sci, 14, 2023
7BUP
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BU of 7bup by Molmil
Crystal structure of PCNA from pathogenic yeast Candida albicans
分子名称: Proliferating cell nuclear antigen
著者sundaram, R, Vasudevan, D.
登録日2020-04-07
公開日2021-02-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural analyses of PCNA from the fungal pathogen Candida albicans identify three regions with species-specific conformations.
Febs Lett., 595, 2021
8DPR
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BU of 8dpr by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with inhibitor TKB-248
分子名称: 2,2,2-trifluoro-N-{(2S)-1-[(1R,2S,5S)-2-({(2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamothioyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl}acetamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ...
著者Bulut, H, Hayashi, H, Tsuji, K, Kuwata, N, Das, D, Tamamura, H, Mitsuya, H.
登録日2022-07-16
公開日2022-08-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification of SARS-CoV-2 M pro inhibitors containing P1' 4-fluorobenzothiazole moiety highly active against SARS-CoV-2.
Nat Commun, 14, 2023
8DOY
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BU of 8doy by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with an inhibitor TKB-198
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3C-like proteinase nsp5, ...
著者Bulut, H, Hayashi, H, Tsuji, K, Kuwata, N, Das, D, Tamamura, H, Mitsuya, H.
登録日2022-07-14
公開日2022-08-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Potent and biostable inhibitors of the main protease of SARS-CoV-2.
Iscience, 25, 2022
8DTL
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BU of 8dtl by Molmil
Cryo-EM structure of insulin receptor (IR) bound with S597 peptide
分子名称: Insulin mimetic peptide S597, Insulin receptor
著者Park, J, Li, J, Mayer, J.P, Ball, K.A, Wu, J.Y, Hall, C, Accili, D, Stowell, M.H.B, Bai, X.C, Choi, E.
登録日2022-07-25
公開日2022-09-07
最終更新日2022-10-12
実験手法ELECTRON MICROSCOPY (5.4 Å)
主引用文献Activation of the insulin receptor by an insulin mimetic peptide.
Nat Commun, 13, 2022
8DTM
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BU of 8dtm by Molmil
Cryo-EM structure of insulin receptor (IR) bound with S597 component 2
分子名称: Insulin mimetic peptide S597 component 2, Insulin receptor
著者Park, J, Li, J, Mayer, J.P, Ball, K.A, Wu, J.Y, Hall, C, Accili, D, Stowell, M.H.B, Bai, X.C, Choi, E.
登録日2022-07-26
公開日2022-09-07
最終更新日2022-10-12
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Activation of the insulin receptor by an insulin mimetic peptide.
Nat Commun, 13, 2022
7BDZ
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BU of 7bdz by Molmil
X-ray structure of Hen Egg White Lysozyme with dirhodium tetraacetate (1)
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Lysozyme, ...
著者Loreto, D, Merlino, A, Ferraro, G.
登録日2020-12-22
公開日2021-02-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Unusual Structural Features in the Adduct of Dirhodium Tetraacetate with Lysozyme.
Int J Mol Sci, 22, 2021
7BCM
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BU of 7bcm by Molmil
The DDR1 Kinase Domain Bound To SR302
分子名称: Epithelial discoidin domain-containing receptor 1, ~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[[(3~{S})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
著者Mathea, S, Chatterjee, D, Preuss, F, Roehm, S, Joerger, A, Knapp, S.
登録日2020-12-20
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Development of a Selective Dual Discoidin Domain Receptor (DDR)/p38 Kinase Chemical Probe.
J.Med.Chem., 64, 2021
7BEC
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BU of 7bec by Molmil
Unusual structural features in the adduct of dirhodium tetraacetate with lysozyme (5)
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Lysozyme, ...
著者Loreto, D, Ferraro, G, Merlino, A.
登録日2020-12-23
公開日2021-02-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Unusual Structural Features in the Adduct of Dirhodium Tetraacetate with Lysozyme.
Int J Mol Sci, 22, 2021
7BEB
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BU of 7beb by Molmil
Unusual structural features in the adduct of dirhodium tetraacetate with lysozyme (4)
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Lysozyme, ...
著者Loreto, D, Ferraro, G, Merlino, A.
登録日2020-12-23
公開日2021-02-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Unusual Structural Features in the Adduct of Dirhodium Tetraacetate with Lysozyme.
Int J Mol Sci, 22, 2021
7BE2
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BU of 7be2 by Molmil
X-ray structure of Hen Egg White Lysozyme with dirhodium tetraacetate (6)
分子名称: ACETATE ION, GLYCEROL, Lysozyme, ...
著者Loreto, D, Merlino, A, Ferraro, G.
登録日2020-12-22
公開日2021-02-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Unusual Structural Features in the Adduct of Dirhodium Tetraacetate with Lysozyme.
Int J Mol Sci, 22, 2021

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件を2024-08-21に公開中

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