6YG4
 
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6YG2
 | | Crystal structure of MKK7 (MAP2K7) in complex with ibrutnib, with covalent and allosteric binding modes | | 分子名称: | 1,2-ETHANEDIOL, 1-[(3~{R})-3-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one, 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, ... | | 著者 | Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2020-03-27 | | 公開日 | 2020-08-12 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Catalytic Domain Plasticity of MKK7 Reveals Structural Mechanisms of Allosteric Activation and Diverse Targeting Opportunities.
Cell Chem Biol, 27, 2020
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6YG5
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6YG0
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6YG6
 | | Crystal structure of MKK7 (MAP2K7) covalently bound with type-II inhibitor TL10-105 | | 分子名称: | 1,2-ETHANEDIOL, Dual specificity mitogen-activated protein kinase kinase 7, ~{N}-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[[(3~{S})-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]oxy-benzamide | | 著者 | Chaikuad, A, Tan, L, Wang, J, Liang, Y, Gray, N.S, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2020-03-27 | | 公開日 | 2020-08-12 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Catalytic Domain Plasticity of MKK7 Reveals Structural Mechanisms of Allosteric Activation and Diverse Targeting Opportunities.
Cell Chem Biol, 27, 2020
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6YGN
 | | Titin kinase and its flanking domains | | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, Titin | | 著者 | Fleming, J.R, Franke, B, Bogomolovas, J, Mayans, O. | | 登録日 | 2020-03-27 | | 公開日 | 2021-04-07 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Titin kinase ubiquitination aligns autophagy receptors with mechanical signals in the sarcomere.
Embo Rep., 22, 2021
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6WBS
 | | Human CFTR first nucleotide binding domain with dF508/V510D | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION | | 著者 | Simon, K.S, Kothe, M, Hilbert, B, Batchelor, J.D, Hurlbut, G.D. | | 登録日 | 2020-03-27 | | 公開日 | 2021-04-07 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.857 Å) | | 主引用文献 | Determining the Molecular Mechanism of Suppressor Mutation V510D and the Contribution of Helical Unraveling to the dF508-CFTR Defect
To Be Published
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6WAZ
 | | +1 extended HIV-1 reverse transcriptase initiation complex core (pre-translocation state) | | 分子名称: | HIV-1 viral RNA genome fragment, Reverse transcriptase p51 subunit, Reverse transcriptase/ribonuclease H, ... | | 著者 | Larsen, K.P, Jackson, L.N, Kappel, K, Zhang, J, Puglisi, E.V. | | 登録日 | 2020-03-26 | | 公開日 | 2020-06-24 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (4.1 Å) | | 主引用文献 | Distinct Conformational States Underlie Pausing during Initiation of HIV-1 Reverse Transcription.
J.Mol.Biol., 432, 2020
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6WB0
 | | +3 extended HIV-1 reverse transcriptase initiation complex core (pre-translocation state) | | 分子名称: | HIV-1 viral RNA genome fragment, Reverse transcriptase/ribonuclease H, reverse transcriptase p51 subunit, ... | | 著者 | Larsen, K.P, Jackson, L.N, Kappel, K, Zhang, J, Puglisi, E.V. | | 登録日 | 2020-03-26 | | 公開日 | 2020-06-24 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (4.2 Å) | | 主引用文献 | Distinct Conformational States Underlie Pausing during Initiation of HIV-1 Reverse Transcription.
J.Mol.Biol., 432, 2020
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6WAY
 | | C-terminal SH2 domain of p120RasGAP in complex with p190RhoGAP phosphotyrosine peptide | | 分子名称: | Ras GTPase-activating protein 1, Rho GTPase-activating protein 35 | | 著者 | Jaber Chehayeb, R, Wang, J, Stiegler, A.L, Boggon, T.J. | | 登録日 | 2020-03-26 | | 公開日 | 2020-06-17 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | The GTPase-activating protein p120RasGAP has an evolutionarily conserved "FLVR-unique" SH2 domain.
J.Biol.Chem., 295, 2020
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6WB1
 | | +3 extended HIV-1 reverse transcriptase initiation complex core (intermediate state) | | 分子名称: | HIV-1 viral RNA genome fragment, REVERSE TRANSCRIPTASE/RIBONUCLEASE H, reverse transcriptase p51 subunit, ... | | 著者 | Larsen, K.P, Jackson, L.N, Kappel, K, Zhang, J, Chen, D.H, Puglisi, E.V. | | 登録日 | 2020-03-26 | | 公開日 | 2020-06-24 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (4.7 Å) | | 主引用文献 | Distinct Conformational States Underlie Pausing during Initiation of HIV-1 Reverse Transcription.
J.Mol.Biol., 432, 2020
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6YF8
 | | DYRK1A with PST001 | | 分子名称: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ~{N}-[5-(5-methoxy-1,3-benzothiazol-2-yl)pyridin-3-yl]ethanamide | | 著者 | Rothweiler, U. | | 登録日 | 2020-03-26 | | 公開日 | 2021-04-07 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (3.198 Å) | | 主引用文献 | DYRK1A with PST001
To Be Published
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7BR3
 | | Crystal structure of the protein 1 | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R)-2,3-dihydroxypropyl dodecanoate, 4-[[(1R)-2-[5-(2-fluoranyl-3-methoxy-phenyl)-3-[[2-fluoranyl-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]-1-phenyl-ethyl]amino]butanoic acid, ... | | 著者 | Cheng, L, Shao, Z. | | 登録日 | 2020-03-26 | | 公開日 | 2020-10-07 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.79 Å) | | 主引用文献 | Structure of the human gonadotropin-releasing hormone receptor GnRH1R reveals an unusual ligand binding mode.
Nat Commun, 11, 2020
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6WB2
 | | +3 extended HIV-1 reverse transcriptase initiation complex core (displaced state) | | 分子名称: | HIV-1 viral RNA genome fragment, Reverse transcriptase/ribonuclease H, reverse transcriptase p51 subunit, ... | | 著者 | Larsen, K.P, Jackson, L.N, Kappel, K, Zhang, J, Chen, D.H, Puglisi, E.V. | | 登録日 | 2020-03-26 | | 公開日 | 2020-06-24 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (4.5 Å) | | 主引用文献 | Distinct Conformational States Underlie Pausing during Initiation of HIV-1 Reverse Transcription.
J.Mol.Biol., 432, 2020
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7BR5
 | | Lysozyme-sugar complex in H2O | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Lysozyme C, ... | | 著者 | Tanaka, I, Chatake, T. | | 登録日 | 2020-03-26 | | 公開日 | 2021-03-10 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | Recent structural insights into the mechanism of lysozyme hydrolysis.
Acta Crystallogr D Struct Biol, 77, 2021
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6WAX
 | | C-terminal SH2 domain of p120RasGAP | | 分子名称: | 1,2-ETHANEDIOL, Ras GTPase-activating protein 1, SULFATE ION | | 著者 | Jaber Chehayeb, R, Wang, J, Stiegler, A.L, Boggon, T.J. | | 登録日 | 2020-03-26 | | 公開日 | 2020-06-17 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | The GTPase-activating protein p120RasGAP has an evolutionarily conserved "FLVR-unique" SH2 domain.
J.Biol.Chem., 295, 2020
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6YEV
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7BQV
 | | Cereblon in complex with SALL4 and (S)-5-hydroxythalidomide | | 分子名称: | 2-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-5-oxidanyl-isoindole-1,3-dione, Protein cereblon, SULFATE ION, ... | | 著者 | Furihata, H, Miyauchi, Y, Asano, A, Tanokura, M, Miyakawa, T. | | 登録日 | 2020-03-25 | | 公開日 | 2020-08-26 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural bases of IMiD selectivity that emerges by 5-hydroxythalidomide.
Nat Commun, 11, 2020
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7BQU
 | | Cereblon in complex with SALL4 and (S)-thalidomide | | 分子名称: | Protein cereblon, S-Thalidomide, Sal-like protein 4, ... | | 著者 | Furihata, H, Miyauchi, Y, Asano, A, Tanokura, M, Miyakawa, T. | | 登録日 | 2020-03-25 | | 公開日 | 2020-08-26 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural bases of IMiD selectivity that emerges by 5-hydroxythalidomide.
Nat Commun, 11, 2020
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5RC3
 | | PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library F03a | | 分子名称: | ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ... | | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | | 登録日 | 2020-03-24 | | 公開日 | 2020-06-03 | | 最終更新日 | 2020-06-17 | | 実験手法 | X-RAY DIFFRACTION (0.98 Å) | | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5RCM
 | | PanDDA analysis group deposition -- Endothiapepsin ground state model 07 | | 分子名称: | Endothiapepsin | | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | | 登録日 | 2020-03-24 | | 公開日 | 2020-06-03 | | 最終更新日 | 2020-06-17 | | 実験手法 | X-RAY DIFFRACTION (1.03 Å) | | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5RCZ
 | | PanDDA analysis group deposition -- Endothiapepsin ground state model 21 | | 分子名称: | Endothiapepsin | | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | | 登録日 | 2020-03-24 | | 公開日 | 2020-06-03 | | 最終更新日 | 2020-06-17 | | 実験手法 | X-RAY DIFFRACTION (1.04 Å) | | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5RDE
 | | PanDDA analysis group deposition -- Endothiapepsin ground state model 36 | | 分子名称: | Endothiapepsin | | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | | 登録日 | 2020-03-24 | | 公開日 | 2020-06-03 | | 最終更新日 | 2020-06-17 | | 実験手法 | X-RAY DIFFRACTION (1.01 Å) | | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5RDR
 | | PanDDA analysis group deposition -- Endothiapepsin ground state model 48 | | 分子名称: | Endothiapepsin | | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | | 登録日 | 2020-03-24 | | 公開日 | 2020-06-03 | | 最終更新日 | 2020-06-17 | | 実験手法 | X-RAY DIFFRACTION (1.03 Å) | | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5RBZ
 | | PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library E05a | | 分子名称: | 2-(2-methylphenyl)acetamide, ACETATE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | | 登録日 | 2020-03-24 | | 公開日 | 2020-06-03 | | 最終更新日 | 2020-06-17 | | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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