8A3Q
 
 | | Human Plasma Kallekrein in complex with 14W | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Plasma kallikrein, ... | | 著者 | McEwan, P.A. | | 登録日 | 2022-06-08 | | 公開日 | 2022-11-02 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.801 Å) | | 主引用文献 | Sebetralstat (KVD900): A Potent and Selective Small Molecule Plasma Kallikrein Inhibitor Featuring a Novel P1 Group as a Potential Oral On-Demand Treatment for Hereditary Angioedema.
J.Med.Chem., 65, 2022
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7ZRM
 | | Cryo-EM map of the unphosphorylated KdpFABC complex in the E1-P_ADP conformation, under turnover conditions | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, POTASSIUM ION, ... | | 著者 | Hielkema, L, Stock, C, Silberberg, J.M, Corey, R.A, Wunnicke, D, Dubach, V.R.A, Stansfeld, P.J, Haenelt, I, Paulino, C. | | 登録日 | 2022-05-04 | | 公開日 | 2022-11-16 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | Inhibited KdpFABC transitions into an E1 off-cycle state.
Elife, 11, 2022
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7B0U
 | | Stressosome complex from Listeria innocua | | 分子名称: | RsbR protein, RsbS protein | | 著者 | Miksys, A, Fu, L, Madej, M.G, Ziegler, C. | | 登録日 | 2020-11-22 | | 公開日 | 2021-12-01 | | 最終更新日 | 2022-07-20 | | 実験手法 | ELECTRON MICROSCOPY (3.86 Å) | | 主引用文献 | Molecular insights into intra-complex signal transmission during stressosome activation.
Commun Biol, 5, 2022
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5Q0U
 | | Ligand binding to FARNESOID-X-RECEPTOR | | 分子名称: | Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3, trans-4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)cyclohexyl hydrogen sulfate | | 著者 | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | | 登録日 | 2017-05-31 | | 公開日 | 2017-07-05 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018
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7AZV
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7B0B
 | | Fab HbnC3t1p1_C6 bound to SARS-CoV-2 RBD | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab heavy chain, IGK@ protein, ... | | 著者 | Borenstein-Katz, A, Diskin, R. | | 登録日 | 2020-11-19 | | 公開日 | 2021-12-01 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.98 Å) | | 主引用文献 | Somatic hypermutation introduces bystander mutations that prepare SARS-CoV-2 antibodies for emerging variants.
Immunity, 56, 2023
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5Q1C
 | | Ligand binding to FARNESOID-X-RECEPTOR | | 分子名称: | (2S)-2-cyclohexyl-2-[2-(2,6-dimethoxypyridin-3-yl)-5,6-difluoro-1H-benzimidazol-1-yl]-N-(trans-4-hydroxycyclohexyl)acetamide, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 | | 著者 | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | | 登録日 | 2017-05-31 | | 公開日 | 2017-07-05 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018
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8A6L
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7ARC
 | | Cryo-EM structure of Polytomella Complex-I (peripheral arm) | | 分子名称: | 13 kDa, 18 kDa, 24 kDa, ... | | 著者 | Klusch, N, Kuehlbrandt, W, Yildiz, O. | | 登録日 | 2020-10-23 | | 公開日 | 2021-12-08 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (2.88 Å) | | 主引用文献 | A ferredoxin bridge connects the two arms of plant mitochondrial complex I.
Plant Cell, 33, 2021
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7ARD
 | | Cryo-EM structure of Polytomella Complex-I (complete composition) | | 分子名称: | (7S)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 13 kDa, 15 kDa, ... | | 著者 | Klusch, N, Kuehlbrandt, W, Yildiz, O. | | 登録日 | 2020-10-23 | | 公開日 | 2021-12-08 | | 実験手法 | ELECTRON MICROSCOPY (3.11 Å) | | 主引用文献 | A ferredoxin bridge connects the two arms of plant mitochondrial complex I.
Plant Cell, 33, 2021
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7B2I
 | | Heterodimeric tRNA-Guanine Transglycosylase from mouse | | 分子名称: | CITRIC ACID, DI(HYDROXYETHYL)ETHER, HEXAETHYLENE GLYCOL, ... | | 著者 | Sebastiani, M, Heine, A, Reuter, K. | | 登録日 | 2020-11-27 | | 公開日 | 2021-12-08 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Structural and Biochemical Investigation of the Heterodimeric Murine tRNA-Guanine Transglycosylase.
Acs Chem.Biol., 17, 2022
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7ZRL
 | | Cryo-EM map of the unphosphorylated KdpFABC complex in the E2-P conformation, under turnover conditions | | 分子名称: | POTASSIUM ION, Potassium-transporting ATPase ATP-binding subunit, Potassium-transporting ATPase KdpC subunit, ... | | 著者 | Hielkema, L, Stock, C, Silberberg, J.M, Corey, R.A, Wunnicke, D, Dubach, V.R.A, Stansfeld, P.J, Haenelt, I, Paulino, C. | | 登録日 | 2022-05-04 | | 公開日 | 2022-11-16 | | 実験手法 | ELECTRON MICROSCOPY (4 Å) | | 主引用文献 | Inhibited KdpFABC transitions into an E1 off-cycle state.
Elife, 11, 2022
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8A4L
 | | Lipidic alpha-synuclein fibril - polymorph L2A | | 分子名称: | Alpha-synuclein | | 著者 | Frieg, B, Antonschmidt, L, Dienemann, C, Geraets, J.A, Najbauer, E.E, Matthes, D, de Groot, B.L, Andreas, L.B, Becker, S, Griesinger, C, Schroeder, G.F. | | 登録日 | 2022-06-12 | | 公開日 | 2022-08-17 | | 最終更新日 | 2024-07-24 | | 実験手法 | ELECTRON MICROSCOPY (2.68 Å) | | 主引用文献 | The 3D structure of lipidic fibrils of alpha-synuclein.
Nat Commun, 13, 2022
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7ZSC
 | | Crystal structure of the heterodimeric human C-P4H-II with truncated alpha subunit (C-P4H-II delta281) | | 分子名称: | Prolyl 4-hydroxylase subunit alpha-2, Protein disulfide-isomerase, SULFATE ION | | 著者 | Lebedev, A, Koski, M.K, Wierenga, R.K, Murthy, A.V, Sulu, R. | | 登録日 | 2022-05-06 | | 公開日 | 2022-11-09 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (3.85 Å) | | 主引用文献 | Crystal structure of the collagen prolyl 4-hydroxylase (C-P4H) catalytic domain complexed with PDI: Toward a model of the C-P4H alpha 2 beta 2 tetramer.
J.Biol.Chem., 298, 2022
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7ZQ0
 | | Room temperature SSX structure of GH11 xylanase from Nectria haematococca (1000 frames) | | 分子名称: | Endo-1,4-beta-xylanase | | 著者 | Oberthuer, D, Andaleeb, H, Betzel, C, Perbandt, M, Yefanov, O, Zielinski, K. | | 登録日 | 2022-04-29 | | 公開日 | 2022-11-16 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Rapid and efficient room-temperature serial synchrotron crystallography using the CFEL TapeDrive.
Iucrj, 9, 2022
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7ZRE
 | | Cryo-EM map of the WT KdpFABC complex in the E1-P tight conformation, under turnover conditions | | 分子名称: | CARDIOLIPIN, POTASSIUM ION, Potassium-transporting ATPase ATP-binding subunit, ... | | 著者 | Hielkema, L, Stock, C, Silberberg, J.M, Corey, R.A, Wunnicke, D, Dubach, V.R.A, Stansfeld, P.J, Haenelt, I, Paulino, C. | | 登録日 | 2022-05-04 | | 公開日 | 2022-11-16 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Inhibited KdpFABC transitions into an E1 off-cycle state.
Elife, 11, 2022
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7ZRK
 | | Cryo-EM map of the WT KdpFABC complex in the E1-P_ADP conformation, under turnover conditions | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, CARDIOLIPIN, POTASSIUM ION, ... | | 著者 | Hielkema, L, Stock, C, Silberberg, J.M, Corey, R.A, Wunnicke, D, Dubach, V.R.A, Stansfeld, P.J, Haenelt, I, Paulino, C. | | 登録日 | 2022-05-04 | | 公開日 | 2022-11-16 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Inhibited KdpFABC transitions into an E1 off-cycle state.
Elife, 11, 2022
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7ZRG
 | | Cryo-EM map of the WT KdpFABC complex in the E1_ATPearly conformation, under turnover conditions | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, CARDIOLIPIN, POTASSIUM ION, ... | | 著者 | Hielkema, L, Stock, C, Silberberg, J.M, Corey, R.A, Rheinberger, J, Wunnicke, D, Dubach, V.R.A, Stansfeld, P.J, Haenelt, I, Paulino, C. | | 登録日 | 2022-05-04 | | 公開日 | 2022-11-16 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Inhibited KdpFABC transitions into an E1 off-cycle state.
Elife, 11, 2022
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5Q1E
 | | Ligand binding to FARNESOID-X-RECEPTOR | | 分子名称: | 5-bromo-1-{[4-(1H-tetrazol-5-yl)phenyl]methyl}-1'-(thiophene-2-sulfonyl)spiro[indole-3,4'-piperidin]-2(1H)-one, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 | | 著者 | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | | 登録日 | 2017-05-31 | | 公開日 | 2017-07-05 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018
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5Q0L
 | | Ligand binding to FARNESOID-X-RECEPTOR | | 分子名称: | (2S)-N,2-dicyclohexyl-2-{2-[4-(hydroxymethyl)phenyl]-1H-benzimidazol-1-yl}acetamide, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 | | 著者 | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | | 登録日 | 2017-05-31 | | 公開日 | 2017-07-05 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018
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5Q0Y
 | | Ligand binding to FARNESOID-X-RECEPTOR | | 分子名称: | (2S)-N,2-dicyclohexyl-2-{5,6-difluoro-2-[6-(1H-pyrazol-1-yl)pyridin-3-yl]-1H-benzimidazol-1-yl}acetamide, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 | | 著者 | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | | 登録日 | 2017-05-31 | | 公開日 | 2017-07-05 | | 最終更新日 | 2021-11-17 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018
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5Q1F
 | | Ligand binding to FARNESOID-X-RECEPTOR | | 分子名称: | Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3, trans-4-({(2S)-2-cyclohexyl-2-[2-(2,6-dimethoxypyridin-3-yl)-5-fluoro-1H-benzimidazol-1-yl]acetyl}amino)cyclohexane-1-carboxylic acid | | 著者 | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | | 登録日 | 2017-05-31 | | 公開日 | 2017-07-05 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018
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5OHE
 | | Globin sensor domain of AfGcHK (FeIII form) in complex with cyanide | | 分子名称: | CHLORIDE ION, CYANIDE ION, Globin-coupled histidine kinase, ... | | 著者 | Skalova, T, Kolenko, P, Dohnalek, J, Stranava, M, Martinkova, M. | | 登録日 | 2017-07-16 | | 公開日 | 2017-11-08 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Coordination and redox state-dependent structural changes of the heme-based oxygen sensor AfGcHK associated with intraprotein signal transduction.
J. Biol. Chem., 292, 2017
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5NIQ
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5NAM
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