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8HHA
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BU of 8hha by Molmil
F1 domain of FoF1-ATPase from Bacillus PS3,120 degrees,lowATP
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase gamma chain, ...
著者Nakano, A, Kishikawa, J, Mitsuoka, K, Yokoyama, K.
登録日2022-11-16
公開日2023-07-19
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Rotation mechanism of ATP synthases driven by ATP hydrolysis
To Be Published
5EW1
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BU of 5ew1 by Molmil
Human thrombin sandwiched between two DNA aptamers: HD22 and HD1-deltaT3
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, HD1-deltaT3, ...
著者Pica, A, Russo Krauss, I, Parente, V, Sica, F.
登録日2015-11-20
公開日2016-11-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Through-bond effects in the ternary complexes of thrombin sandwiched by two DNA aptamers.
Nucleic Acids Res., 45, 2017
7Z5D
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BU of 7z5d by Molmil
VP2-only capsid of wt MVM prototype strain p
分子名称: Capsid protein VP1
著者Luque, D, Ortega-Esteban, A, Valbuena, A, Vilas, J.L, Rodriguez-Huete, A, Mateu, M.G, Caston, J.R.
登録日2022-03-09
公開日2023-03-08
最終更新日2023-03-15
実験手法ELECTRON MICROSCOPY (3.42 Å)
主引用文献Equilibrium Dynamics of a Biomolecular Complex Analyzed at Single-amino Acid Resolution by Cryo-electron Microscopy.
J.Mol.Biol., 435, 2023
5EW2
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BU of 5ew2 by Molmil
Human thrombin sandwiched between two DNA aptamers: HD22 and HD1-deltaT12
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, HD1-deltaT12, ...
著者Pica, A, Russo Krauss, I, Parente, V, Sica, F.
登録日2015-11-20
公開日2016-11-30
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.59 Å)
主引用文献Through-bond effects in the ternary complexes of thrombin sandwiched by two DNA aptamers.
Nucleic Acids Res., 45, 2017
8HH4
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BU of 8hh4 by Molmil
F1 domain of FoF1-ATPase from Bacillus PS3,101 degrees, highATP
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase gamma chain, ...
著者Nakano, A, Kishikawa, J, Mitsuoka, K, Yokoyama, K.
登録日2022-11-16
公開日2023-07-19
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Rotation mechanism of ATP synthases driven by ATP hydrolysis
To Be Published
8HH1
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BU of 8hh1 by Molmil
FoF1-ATPase from Bacillus PS3, 81 degrees, highATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, ATP synthase gamma chain, ATP synthase subunit alpha, ...
著者Nakano, A, Kishikawa, J, Mitsuoka, K, Yokoyama, K.
登録日2022-11-16
公開日2023-07-19
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Rotation mechanism of ATP synthases driven by ATP hydrolysis
To Be Published
8HH9
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BU of 8hh9 by Molmil
F1 domain of FoF1-ATPase from Bacillus PS3, 90 degrees, low ATP
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase gamma chain, ...
著者Nakano, A, Kishikawa, J, Mitsuoka, K, Yokoyama, K.
登録日2022-11-16
公開日2023-07-19
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Rotation mechanism of ATP synthases driven by ATP hydrolysis
To Be Published
4L98
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BU of 4l98 by Molmil
Crystal structure of the complex of F360L PPARgamma mutant with the ligand LT175
分子名称: (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma
著者Pochetti, G, Montanari, R, Consalvi, V, Chiaraluce, R, Pasquo, A, Capelli, D, Loiodice, F, Laghezza, A, Lori, C.
登録日2013-06-18
公開日2014-06-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structural basis of the transactivation deficiency of the human PPAR gamma F360L mutant associated with familial partial lipodystrophy.
Acta Crystallogr.,Sect.D, 70, 2014
3ICF
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BU of 3icf by Molmil
Structure of Protein serine/threonine phosphatase from Saccharomyces cerevisiae with similarity to human phosphatase PP5
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, FE (III) ION, ...
著者Singer, A.U, Xu, X, Chang, C, Cui, H, Kagan, O, Edwards, A.M, Joachimiak, A, Yakunin, A.F, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
登録日2009-07-17
公開日2009-08-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of Protein serine/threonine phosphatase from Saccharomyces cerevisiae with similarity to human phosphatase PP5
To be Published
5LE8
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BU of 5le8 by Molmil
Crystal structure of DARPin-DARPin rigid fusion, variant DD_D12_15_D12
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DD_D12_15_D12, GLYCEROL, ...
著者Batyuk, A, Wu, Y, Mittl, P.R, Plueckthun, A.
登録日2016-06-29
公開日2017-08-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Rigidly connected multispecific artificial binders with adjustable geometries.
Sci Rep, 7, 2017
8HH3
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BU of 8hh3 by Molmil
F1 domain of FoF1-ATPase from Bacillus PS3,90 degrees,highATP
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase gamma chain, ...
著者Nakano, A, Kishikawa, J, Mitsuoka, K, Yokoyama, K.
登録日2022-11-16
公開日2023-07-19
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Rotation mechanism of ATP synthases driven by ATP hydrolysis
To Be Published
6RJG
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BU of 6rjg by Molmil
Cryo-EM structure of St1Cas9-sgRNA-AcrIIA6-tDNA59-ntPAM complex.
分子名称: AcrIIA6, Cas 9, ntPAM, ...
著者Goulet, A, Chaves-Sanjuan, A, Cambillau, C.
登録日2019-04-26
公開日2019-10-02
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cas9 Allosteric Inhibition by the Anti-CRISPR Protein AcrIIA6.
Mol.Cell, 76, 2019
6M8O
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BU of 6m8o by Molmil
Crystal structure of the receiver domain of LytR from Staphylococcus aureus
分子名称: DNA-binding response regulator, SULFATE ION
著者Shala-Lawrence, A, Audette, G.F.
登録日2018-08-22
公開日2018-09-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of the receiver domain of LytR from Staphylococcus aureus
To Be Published
7ZBE
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BU of 7zbe by Molmil
Dark state crystal structure of bovine rhodopsin in Lipidic Cubic Phase (SwissFEL)
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 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Gruhl, T, Weinert, T, Rodrigues, M.J, Milne, C, Ortolani, G, Nass, K, Nango, E, Sen, S, Johnson, P, Cirelli, C, Furrer, A, Mous, S, Skopintsev, P, James, D, Dworkowski, F, Baath, P, Kekilli, D, Oserov, D, Tanaka, R, Glover, H, Bacellar, C, Bruenle, S, Casadei, C, Diethelm, A, Gashi, D, Gotthard, G, Guixa-Gonzalez, R, Joti, Y, Kabanova, V, Knopp, G, Lesca, E, Ma, P, Martiel, I, Muehle, J, Owada, S, Pamula, F, Sarabi, D, Tejero, O, Tsai, C.J, Varma, N, Wach, A, Boutet, S, Tono, K, Nogly, P, Deupi, X, Iwata, S, Neutze, R, Standfuss, J, Schertler, G.F.X, Panneels, V.
登録日2022-03-23
公開日2023-03-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Ultrafast structural changes direct the first molecular events of vision.
Nature, 615, 2023
6RK3
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BU of 6rk3 by Molmil
Solution structure of the ribosome Elongation Factor P (EF-P) from Staphylococcus aureus
分子名称: Elongation factor P
著者Usachev, K, Fatkhullin, B, Gabdulkhakov, A, Khusainov, I, Golubev, A, Validov, S, Yusupova, G, Yusupov, M.
登録日2019-04-30
公開日2020-03-11
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献NMR and crystallographic structural studies of the Elongation factor P from Staphylococcus aureus.
Eur.Biophys.J., 49, 2020
5IH5
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BU of 5ih5 by Molmil
Human Casein Kinase 1 isoform delta (kinase domain) in complex with Epiblastin A
分子名称: 6-(3-chlorophenyl)pteridine-2,4,7-triamine, Casein kinase I isoform delta, S,R MESO-TARTARIC ACID, ...
著者Ursu, A, Illich, D.J, Takemoto, Y, Porfetye, A.T, Zhang, M, Brockmeyer, A, Janning, P, Watanabe, N, Osada, H, Vetter, I.R, Ziegler, S, Schoeler, H.R, Waldmann, H.
登録日2016-02-29
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Epiblastin A Induces Reprogramming of Epiblast Stem Cells Into Embryonic Stem Cells by Inhibition of Casein Kinase 1.
Cell Chem Biol, 23, 2016
7Z2K
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BU of 7z2k by Molmil
Crystal structure of SARS-CoV-2 Main Protease in orthorhombic space group p212121
分子名称: 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A.
登録日2022-02-28
公開日2023-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Sulfonated Calpeptin is a promising drug candidate against SARS-CoV-2 infections
To Be Published
6RJA
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BU of 6rja by Molmil
Cryo-EM structure of St1Cas9-sgRNA-tDNA20-AcrIIA6 dimeric assembly.
分子名称: AcrIIA6, CRISPR-associated endonuclease Cas9 1, RNA (78-MER), ...
著者Goulet, A, Cambillau, C, Chaves-Sanjuan, A.
登録日2019-04-26
公開日2019-10-02
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Cas9 Allosteric Inhibition by the Anti-CRISPR Protein AcrIIA6.
Mol.Cell, 76, 2019
8CJL
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BU of 8cjl by Molmil
Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor TPT-004
分子名称: 3-ethyl-8-[(2-methyl-5~{H}-imidazo[2,1-b][1,3]thiazol-6-yl)methyl]-7-(oxetan-3-ylmethyl)purine-2,6-dione, FE (III) ION, Tryptophan 5-hydroxylase 1
著者Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U.
登録日2023-02-13
公開日2024-01-10
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Structure-Based Design of Xanthine-Imidazopyridines and -Imidazothiazoles as Highly Potent and In Vivo Efficacious Tryptophan Hydroxylase Inhibitors.
J.Med.Chem., 66, 2023
5LW2
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BU of 5lw2 by Molmil
Crystal structure of DARPin 5m3_D12
分子名称: ACETATE ION, DARPin_5m3_D12
著者Batyuk, A, Wu, Y, Plueckthun, A.
登録日2016-09-15
公開日2017-09-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Rigidly connected multispecific artificial binders with adjustable geometries.
Sci Rep, 7, 2017
8CJO
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BU of 8cjo by Molmil
Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-06-004
分子名称: 1-[(3~{S})-3-(4-chloranyl-2-fluoranyl-phenyl)-1,4,8-triazatricyclo[7.4.0.0^{2,7}]trideca-2(7),8-dien-4-yl]-2-(2-ethyl-6-methyl-pyridin-3-yl)oxy-ethanone, FE (III) ION, Tryptophan 5-hydroxylase 1
著者Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U.
登録日2023-02-13
公開日2024-01-10
実験手法X-RAY DIFFRACTION (1.86633706 Å)
主引用文献Structure-Based Design of Xanthine-Imidazopyridines and -Imidazothiazoles as Highly Potent and In Vivo Efficacious Tryptophan Hydroxylase Inhibitors.
J.Med.Chem., 66, 2023
7ZBC
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BU of 7zbc by Molmil
Dark state crystal structure of bovine rhodopsin in Lipidic Cubic Phase (SACLA)
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 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Gruhl, T, Weinert, T, Rodrigues, M.J, Milne, C, Ortolani, G, Nass, K, Nango, E, Sen, S, Johnson, P, Cirelli, C, Furrer, A, Mous, S, Skopintsev, P, James, D, Dworkowski, F, Baath, P, Kekilli, D, Oserov, D, Tanaka, R, Glover, H, Bacellar, C, Bruenle, S, Casadei, C, Diethelm, A, Gashi, D, Gotthard, G, Guixa-Gonzalez, R, Joti, Y, Kabanova, V, Knopp, G, Lesca, E, Ma, P, Martiel, I, Muehle, J, Owada, S, Pamula, F, Sarabi, S, Tejero, O, Tsai, C.J, Varma, N, Wach, A, Boutet, S, Tono, K, Nogly, P, Deupi, X, Iwata, S, Neutze, R, Standfuss, J, Schertler, G.F.X, Panneels, V.
登録日2022-03-23
公開日2023-03-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Ultrafast structural changes direct the first molecular events of vision.
Nature, 615, 2023
6RPA
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BU of 6rpa by Molmil
Crystal structure of the T-cell receptor NYE_S2 bound to HLA A2*01-SLLMWITQV
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ...
著者Coles, C.H, Mulvaney, R, Malla, S, Lloyd, A, Smith, K, Chester, F, Knox, A, Stacey, A.R, Dukes, J, Baston, E, Griffin, S, Vuidepot, A, Jakobsen, B.K, Harper, S.
登録日2019-05-14
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献TCRs with Distinct Specificity Profiles Use Different Binding Modes to Engage an Identical Peptide-HLA Complex.
J Immunol., 204, 2020
5LE7
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BU of 5le7 by Molmil
Crystal structure of DARPin-DARPin rigid fusion, variant DD_D12_13_D12
分子名称: DD_D12_13_D12, SULFATE ION
著者Batyuk, A, Wu, Y, Mittl, P.R, Plueckthun, A.
登録日2016-06-29
公開日2017-08-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.104 Å)
主引用文献Rigidly connected multispecific artificial binders with adjustable geometries.
Sci Rep, 7, 2017
8CJM
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BU of 8cjm by Molmil
Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-07-047
分子名称: 7-(cyclobutylmethyl)-3-ethyl-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione, FE (III) ION, Tryptophan 5-hydroxylase 1
著者Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U.
登録日2023-02-13
公開日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-Based Design of Xanthine-Imidazopyridines and -Imidazothiazoles as Highly Potent and In Vivo Efficacious Tryptophan Hydroxylase Inhibitors.
J.Med.Chem., 66, 2023

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