8D15
 
 | | Bent ADP-F-actin | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | | 著者 | Reynolds, M.J, Alushin, G.M. | | 登録日 | 2022-05-26 | | 公開日 | 2022-09-07 | | 最終更新日 | 2022-11-23 | | 実験手法 | ELECTRON MICROSCOPY (3.61 Å) | | 主引用文献 | Bending forces and nucleotide state jointly regulate F-actin structure.
Nature, 611, 2022
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3V3V
 | | Structural and functional analysis of quercetagetin, a natural JNK1 inhibitor | | 分子名称: | 3,5,6,7-TETRAHYDROXY-2-(3,4-DIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, C-Jun-amino-terminal kinase-interacting protein 1, CHLORIDE ION, ... | | 著者 | Baek, S, Kang, N.J, Popowicz, G.M, Arciniega, M, Jung, S.K, Byun, S, Song, N.R, Heo, Y.S, Kim, B.Y, Lee, H.J, Holak, T.A, Augustin, M, Bode, A.M, Huber, R, Dong, Z, Lee, K.W. | | 登録日 | 2011-12-14 | | 公開日 | 2012-12-05 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structural and Functional Analysis of the Natural JNK1 Inhibitor Quercetagetin.
J.Mol.Biol., 425, 2013
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8CWE
 | | 20ns Temperature-Jump (Dark2) XFEL structure of Lysozyme Bound to N,N'-diacetylchitobiose | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, CHLORIDE ION, Lysozyme C, ... | | 著者 | Wolff, A.M, Thompson, M.C, Fraser, J.S, Nango, E. | | 登録日 | 2022-05-19 | | 公開日 | 2022-06-22 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Mapping protein dynamics at high spatial resolution with temperature-jump X-ray crystallography.
Nat.Chem., 15, 2023
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8CVV
 | | 20ns Temperature-Jump (Dark1) XFEL structure of Lysozyme | | 分子名称: | ACETATE ION, CHLORIDE ION, Lysozyme C, ... | | 著者 | Wolff, A.M, Thompson, M.C, Fraser, J.S, Nango, E. | | 登録日 | 2022-05-18 | | 公開日 | 2022-06-22 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | | 主引用文献 | Mapping protein dynamics at high spatial resolution with temperature-jump X-ray crystallography.
Nat.Chem., 15, 2023
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8CWD
 | | 20ns Temperature-Jump (Dark1) XFEL structure of Lysozyme Bound to N,N'-diacetylchitobiose | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, CHLORIDE ION, Lysozyme C, ... | | 著者 | Wolff, A.M, Thompson, M.C, Fraser, J.S, Nango, E. | | 登録日 | 2022-05-19 | | 公開日 | 2022-06-22 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Mapping protein dynamics at high spatial resolution with temperature-jump X-ray crystallography.
Nat.Chem., 15, 2023
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8CVW
 | | 20ns Temperature-Jump (Dark2) XFEL structure of Lysozyme | | 分子名称: | ACETATE ION, CHLORIDE ION, Lysozyme C, ... | | 著者 | Wolff, A.M, Thompson, M.C, Fraser, J.S, Nango, E. | | 登録日 | 2022-05-18 | | 公開日 | 2022-06-22 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | | 主引用文献 | Mapping protein dynamics at high spatial resolution with temperature-jump X-ray crystallography.
Nat.Chem., 15, 2023
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3UVP
 | | Human p38 MAP Kinase in Complex with a Benzamide Substituted Benzosuberone | | 分子名称: | Mitogen-activated protein kinase 14, N-{2-fluoro-5-[(5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)amino]phenyl}benzamide, octyl beta-D-glucopyranoside | | 著者 | Mayer-Wrangowski, S.C, Richters, A, Gruetter, C, Rauh, D. | | 登録日 | 2011-11-30 | | 公開日 | 2012-11-07 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Targeting the Hinge Glycine Flip and the Activation Loop: Novel Approach to Potent p38 alpha Inhibitors.
J.Med.Chem., 55, 2012
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8CWF
 | | 200us Temperature-Jump (Light) XFEL structure of Lysozyme Bound to N,N'-diacetylchitobiose | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, CHLORIDE ION, Lysozyme C, ... | | 著者 | Wolff, A.M, Thompson, M.C, Fraser, J.S, Nango, E. | | 登録日 | 2022-05-19 | | 公開日 | 2022-06-22 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Mapping protein dynamics at high spatial resolution with temperature-jump X-ray crystallography.
Nat.Chem., 15, 2023
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8D13
 | | Helical ADP-F-actin | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | | 著者 | Reynolds, M.J, Alushin, G.M. | | 登録日 | 2022-05-26 | | 公開日 | 2022-09-07 | | 最終更新日 | 2022-11-23 | | 実験手法 | ELECTRON MICROSCOPY (2.43 Å) | | 主引用文献 | Bending forces and nucleotide state jointly regulate F-actin structure.
Nature, 611, 2022
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3V1R
 | | Crystal structures of the reverse transcriptase-associated ribonuclease H domain of XMRV with inhibitor beta-thujaplicinol | | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2,7-dihydroxy-4-(propan-2-yl)cyclohepta-2,4,6-trien-1-one, MANGANESE (II) ION, ... | | 著者 | Zhou, D, Wlodawer, A. | | 登録日 | 2011-12-09 | | 公開日 | 2012-03-14 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Crystal structures of the reverse transcriptase-associated ribonuclease H domain of xenotropic murine leukemia-virus related virus.
J.Struct.Biol., 177, 2012
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8D17
 | | Straight ADP-F-actin 1 | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | | 著者 | Reynolds, M.J, Alushin, G.M. | | 登録日 | 2022-05-26 | | 公開日 | 2022-09-07 | | 最終更新日 | 2022-11-23 | | 実験手法 | ELECTRON MICROSCOPY (3.69 Å) | | 主引用文献 | Bending forces and nucleotide state jointly regulate F-actin structure.
Nature, 611, 2022
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8D16
 | | Bent ADP-Pi-F-actin | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | | 著者 | Reynolds, M.J, Alushin, G.M. | | 登録日 | 2022-05-26 | | 公開日 | 2022-09-07 | | 最終更新日 | 2022-11-23 | | 実験手法 | ELECTRON MICROSCOPY (3.71 Å) | | 主引用文献 | Bending forces and nucleotide state jointly regulate F-actin structure.
Nature, 611, 2022
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8CX5
 | | Crystal Structure of small molecule alpha,beta-ketoamide 4 covalently bound to K-Ras(G12R) | | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, MAGNESIUM ION, ... | | 著者 | Zhang, Z, Morstein, J, Ecker, A, Guiley, K.Z, Shokat, K.M. | | 登録日 | 2022-05-19 | | 公開日 | 2022-08-31 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Chemoselective Covalent Modification of K-Ras(G12R) with a Small Molecule Electrophile.
J.Am.Chem.Soc., 144, 2022
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3UNS
 | | Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor | | 分子名称: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | | 著者 | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | | 登録日 | 2011-11-16 | | 公開日 | 2012-11-21 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
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3UNX
 | | Bond length analysis of asp, glu and his residues in subtilisin Carlsberg at 1.26A resolution | | 分子名称: | CALCIUM ION, GLYCEROL, SODIUM ION, ... | | 著者 | Fisher, S.J, Helliwell, J.R, Blakeley, M.P, Cianci, M, McSweeny, S. | | 登録日 | 2011-11-16 | | 公開日 | 2012-06-27 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | | 主引用文献 | Protonation-state determination in proteins using high-resolution X-ray crystallography: effects of resolution and completeness.
Acta Crystallogr.,Sect.D, 68, 2012
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3UOP
 | | Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor | | 分子名称: | CALCIUM ION, CHLORIDE ION, Cationic trypsin, ... | | 著者 | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | | 登録日 | 2011-11-17 | | 公開日 | 2012-11-21 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
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3UO4
 | | Aurora A in complex with RPM1680 | | 分子名称: | 1,2-ETHANEDIOL, 4-{[4-(biphenyl-2-ylamino)pyrimidin-2-yl]amino}benzoic acid, Aurora kinase A | | 著者 | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | | 登録日 | 2011-11-16 | | 公開日 | 2012-01-25 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A.
Acs Chem.Biol., 7, 2012
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3UQU
 | | Crystal structure of BACE1 with its inhibitor | | 分子名称: | Beta-secretase 1, CHLORIDE ION, N-[(1R)-1-(4-fluorophenyl)ethyl]-N'-[(2S,3S)-3-hydroxy-1-phenyl-4-(1H-pyrazol-1-yl)butan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide, ... | | 著者 | Chen, T.T, Chen, W.Y, Xu, Y.C. | | 登録日 | 2011-11-21 | | 公開日 | 2012-11-21 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Flexibility of the Flap in the Active Site of BACE1 as Revealed by Crystal Structures and MD simulations
to be published
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3UP7
 | | Aurora A in complex with YL1-038-09 | | 分子名称: | 2-({2-[(4-carboxyphenyl)amino]pyrimidin-4-yl}amino)benzoic acid, Aurora kinase A | | 著者 | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | | 登録日 | 2011-11-17 | | 公開日 | 2012-01-25 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | | 主引用文献 | Development of o-Chlorophenyl Substituted Pyrimidines as Exceptionally Potent Aurora Kinase Inhibitors.
J.Med.Chem., 55, 2012
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3UUZ
 | | Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor | | 分子名称: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | | 著者 | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | | 登録日 | 2011-11-29 | | 公開日 | 2012-12-05 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
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3UVR
 | | Human p38 MAP Kinase in Complex with KM064 | | 分子名称: | 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-{3-[(5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)amino]phenyl}urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | 著者 | Richters, A, Mayer-Wrangowski, S.C, Gruetter, C, Rauh, D. | | 登録日 | 2011-11-30 | | 公開日 | 2012-12-19 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 |
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3URD
 | | T181A mutant of alpha-Lytic Protease | | 分子名称: | Alpha-lytic protease, GLYCEROL, SULFATE ION | | 著者 | Kelch, B.A, Agard, D.A. | | 登録日 | 2011-11-22 | | 公開日 | 2012-05-23 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.08 Å) | | 主引用文献 | Functional modulation of a protein folding landscape via side-chain distortion.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3URL
 | | Endothiapepsin-DB6 complex. | | 分子名称: | DB6 peptide, Endothiapepsin, SULFATE ION | | 著者 | Bailey, D, Sanz-Aparicio, J, Albert, A, Cooper, J.B. | | 登録日 | 2011-11-22 | | 公開日 | 2012-04-18 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | An analysis of subdomain orientation, conformational change and disorder in relation to crystal packing of aspartic proteinases.
Acta Crystallogr.,Sect.D, 68, 2012
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3UZC
 | | Thermostabilised Adenosine A2A receptor in complex with 4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol | | 分子名称: | 4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol, Adenosine A2A Receptor | | 著者 | Congreve, M, Andrews, S.P, Dore, A.S, Hollenstein, K, Hurrell, E, Langmead, C.J, Mason, J.S, Ng, I.W, Zhukov, A, Weir, M, Marshall, F.H. | | 登録日 | 2011-12-07 | | 公開日 | 2012-03-21 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (3.341 Å) | | 主引用文献 | Discovery of 1,2,4-Triazine Derivatives as Adenosine A(2A) Antagonists using Structure Based Drug Design
J.Med.Chem., 55, 2012
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3UVQ
 | | Human p38 MAP Kinase in Complex with a Dibenzosuberone Derivative | | 分子名称: | Mitogen-activated protein kinase 14, N-{5-[(7-{[(2R)-2,3-dihydroxypropyl]oxy}-5-oxo-10,11-dihydro-5H-dibenzo[a,d][7]annulen-2-yl)amino]-2-fluorophenyl}benzamide, octyl beta-D-glucopyranoside | | 著者 | Mayer-Wrangowski, S.C, Richters, A, Gruetter, C, Rauh, D. | | 登録日 | 2011-11-30 | | 公開日 | 2012-12-05 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Dibenzosuberones as p38 mitogen-activated protein kinase inhibitors with low ATP competitiveness and outstanding whole blood activity.
J.Med.Chem., 56, 2013
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