6TOS
 
 | | Crystal structure of the Orexin-1 receptor in complex with GSK1059865 | | 分子名称: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, CITRIC ACID, Orexin receptor type 1, ... | | 著者 | Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A. | | 登録日 | 2019-12-11 | | 公開日 | 2020-01-15 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | | 主引用文献 | Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.
J.Med.Chem., 63, 2020
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6TOD
 | | Crystal structure of the Orexin-1 receptor in complex with EMPA | | 分子名称: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, CITRIC ACID, N-ethyl-2-[(6-methoxypyridin-3-yl)-(2-methylphenyl)sulfonyl-amino]-N-(pyridin-3-ylmethyl)ethanamide, ... | | 著者 | Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A. | | 登録日 | 2019-12-11 | | 公開日 | 2020-01-01 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.
J.Med.Chem., 63, 2020
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6LI1
 | | Crystal structure of GPR52 ligand free form with flavodoxin fusion | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Chimera of G-protein coupled receptor 52 and Flavodoxin, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Luo, Z.P, Lin, X, Xu, F, Han, G.W. | | 登録日 | 2019-12-10 | | 公開日 | 2020-02-26 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structural basis of ligand recognition and self-activation of orphan GPR52.
Nature, 579, 2020
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6LI3
 | | cryo-EM structure of GPR52-miniGs-NB35 | | 分子名称: | G-protein coupled receptor 52, 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, ... | | 著者 | Li, M, Wang, N, Xu, F, Wu, J, Lei, M. | | 登録日 | 2019-12-10 | | 公開日 | 2020-02-26 | | 最終更新日 | 2020-03-18 | | 実験手法 | ELECTRON MICROSCOPY (3.32 Å) | | 主引用文献 | Structural basis of ligand recognition and self-activation of orphan GPR52.
Nature, 579, 2020
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6LI0
 | | Crystal structure of GPR52 in complex with agonist c17 | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CITRATE ANION, Chimera of G-protein coupled receptor 52 and Flavodoxin, ... | | 著者 | Luo, Z.P, Lin, X, Xu, F, Han, G.W. | | 登録日 | 2019-12-10 | | 公開日 | 2020-02-26 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structural basis of ligand recognition and self-activation of orphan GPR52.
Nature, 579, 2020
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6LI2
 | | Crystal structure of GPR52 ligand free form with rubredoxin fusion | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Chimera of G-protein coupled receptor 52 and Rubredoxin, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Luo, Z.P, Lin, X, Xu, F, Han, G.W. | | 登録日 | 2019-12-10 | | 公開日 | 2020-02-26 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural basis of ligand recognition and self-activation of orphan GPR52.
Nature, 579, 2020
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6LHP
 | | The cryo-EM structure of coxsackievirus A16 mature virion in complex with Fab 14B10 | | 分子名称: | SPHINGOSINE, VP1 protein, VP2 protein, ... | | 著者 | He, M.Z, Xu, L.F, Zheng, Q.B, Zhu, R, Yin, Z.C, Cheng, T, Li, S.W. | | 登録日 | 2019-12-09 | | 公開日 | 2020-02-05 | | 最終更新日 | 2020-02-26 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Identification of Antibodies with Non-overlapping Neutralization Sites that Target Coxsackievirus A16.
Cell Host Microbe, 27, 2020
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6LHO
 | | The cryo-EM structure of coxsackievirus A16 empty particle in complex with Fab 18A7 | | 分子名称: | VP1 protein, VP2 protein, VP3 protein | | 著者 | He, M.Z, Xu, L.F, Zheng, Q.B, Zhu, R, Yin, Z.C, Cheng, T, Li, S.W. | | 登録日 | 2019-12-09 | | 公開日 | 2020-02-05 | | 最終更新日 | 2024-05-29 | | 実験手法 | ELECTRON MICROSCOPY (3.13 Å) | | 主引用文献 | Identification of Antibodies with Non-overlapping Neutralization Sites that Target Coxsackievirus A16.
Cell Host Microbe, 27, 2020
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6LHK
 | | The cryo-EM structure of coxsackievirus A16 mature virion in complex with Fab 18A7 | | 分子名称: | SPHINGOSINE, VP1 protein, VP2 protein, ... | | 著者 | He, M.Z, Xu, L.F, Zheng, Q.B, Zhu, R, Yin, Z.C, Cheng, T, Li, S.W. | | 登録日 | 2019-12-09 | | 公開日 | 2020-02-05 | | 最終更新日 | 2024-05-29 | | 実験手法 | ELECTRON MICROSCOPY (2.65 Å) | | 主引用文献 | Identification of Antibodies with Non-overlapping Neutralization Sites that Target Coxsackievirus A16.
Cell Host Microbe, 27, 2020
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6LHQ
 | | The cryo-EM structure of coxsackievirus A16 mature virion in complex with Fab NA9D7 | | 分子名称: | SPHINGOSINE, VP1 protein, VP2 protein, ... | | 著者 | He, M.Z, Xu, L.F, Zheng, Q.B, Zhu, R, Yin, Z.C, Cheng, T, Li, S.W. | | 登録日 | 2019-12-09 | | 公開日 | 2020-02-05 | | 最終更新日 | 2022-03-23 | | 実験手法 | ELECTRON MICROSCOPY (3.06 Å) | | 主引用文献 | Identification of Antibodies with Non-overlapping Neutralization Sites that Target Coxsackievirus A16.
Cell Host Microbe, 27, 2020
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6LHL
 | | The cryo-EM structure of coxsackievirus A16 A-particle in complex with Fab 18A7 | | 分子名称: | VP1 protein, VP2 protein, VP3 protein | | 著者 | He, M.Z, Xu, L.F, Zheng, Q.B, Zhu, R, Yin, Z.C, Cheng, T, Li, S.W. | | 登録日 | 2019-12-09 | | 公開日 | 2020-02-05 | | 最終更新日 | 2024-05-29 | | 実験手法 | ELECTRON MICROSCOPY (3.07 Å) | | 主引用文献 | Identification of Antibodies with Non-overlapping Neutralization Sites that Target Coxsackievirus A16.
Cell Host Microbe, 27, 2020
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6TNL
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6LHA
 | | The cryo-EM structure of coxsackievirus A16 mature virion | | 分子名称: | SPHINGOSINE, VP1 protein, VP2 protein, ... | | 著者 | He, M.Z, Xu, L.F, Zheng, Q.B, Zhu, R, Yin, Z.C, Cheng, T, Li, S.W. | | 登録日 | 2019-12-07 | | 公開日 | 2020-02-05 | | 最終更新日 | 2024-05-29 | | 実験手法 | ELECTRON MICROSCOPY (3.56 Å) | | 主引用文献 | Identification of Antibodies with Non-overlapping Neutralization Sites that Target Coxsackievirus A16.
Cell Host Microbe, 27, 2020
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6LHC
 | | The cryo-EM structure of coxsackievirus A16 empty particle | | 分子名称: | VP1, VP2, VP3 | | 著者 | He, M.Z, Xu, L.F, Zheng, Q.B, Zhu, R, Yin, Z.C, Cheng, T, Li, S.W. | | 登録日 | 2019-12-07 | | 公開日 | 2020-02-05 | | 最終更新日 | 2024-05-29 | | 実験手法 | ELECTRON MICROSCOPY (3.43 Å) | | 主引用文献 | Identification of Antibodies with Non-overlapping Neutralization Sites that Target Coxsackievirus A16.
Cell Host Microbe, 27, 2020
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6LHB
 | | The cryo-EM structure of coxsackievirus A16 A-particle | | 分子名称: | VP1, VP2, VP3 | | 著者 | He, M.Z, Xu, L.F, Zheng, Q.B, Zhu, R, Yin, Z.C, Cheng, T, Li, S.W. | | 登録日 | 2019-12-07 | | 公開日 | 2020-02-05 | | 最終更新日 | 2024-05-29 | | 実験手法 | ELECTRON MICROSCOPY (3.33 Å) | | 主引用文献 | Identification of Antibodies with Non-overlapping Neutralization Sites that Target Coxsackievirus A16.
Cell Host Microbe, 27, 2020
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6TN8
 | | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound BI-9564 | | 分子名称: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, 4-[4-[(dimethylamino)methyl]-2,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one, ... | | 著者 | Williams, E.P, Chen, Z, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | | 登録日 | 2019-12-06 | | 公開日 | 2019-12-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound BI-9564
To Be Published
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6TNE
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6V6V
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6TNC
 | | X-RAY STRUCTURE OF MPS1 IN COMPLEX WITH COMPOUND 46 | | 分子名称: | CHLORIDE ION, Dual specificity protein kinase TTK, N-cyclopropyl-4-{8-[(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyrazin-3-yl}benzamide | | 著者 | Marquardt, T, Holton, S.J, Schulze, V.K, Klar, U, Kosemund, D, Siemeister, G, Bader, B, Prechtl, S, Briem, H, Schirok, H, Bohlmann, R, Nguyen, D, Fernandez-Montalvan, A, Boemer, U, Eberspaecher, U, Brands, M, Nussbaum, F, Koppitz, M. | | 登録日 | 2019-12-06 | | 公開日 | 2020-05-13 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Treating Cancer by Spindle Assembly Checkpoint Abrogation: Discovery of Two Clinical Candidates, BAY 1161909 and BAY 1217389, Targeting MPS1 Kinase.
J.Med.Chem., 63, 2020
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6V6U
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6TN9
 | | X-RAY STRUCTURE OF MPS1 IN COMPLEX WITH COMPOUND 16 | | 分子名称: | Dual specificity protein kinase TTK, [4-[[6-(3,5-dimethyl-4-oxidanyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-morpholin-4-yl-methanone | | 著者 | Marquardt, T, Holton, S.J, Schulze, V.K, Klar, U, Kosemund, D, Siemeister, G, Bader, B, Prechtl, S, Briem, H, Schirok, H, Bohlmann, R, Nguyen, D, Fernandez-Montalvan, A, Boemer, U, Eberspaecher, U, Brands, M, Nussbaum, F, Koppitz, M. | | 登録日 | 2019-12-06 | | 公開日 | 2020-05-13 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Treating Cancer by Spindle Assembly Checkpoint Abrogation: Discovery of Two Clinical Candidates, BAY 1161909 and BAY 1217389, Targeting MPS1 Kinase.
J.Med.Chem., 63, 2020
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6TND
 | | X-RAY STRUCTURE OF MPS1 IN COMPLEX WITH COMPOUND 79 | | 分子名称: | BAY 1217389, Dual specificity protein kinase TTK | | 著者 | Holton, S.J, Schulze, V.K, Klar, U, Kosemund, D, Siemeister, G, Bader, B, Prechtl, S, Briem, H, Marquardt, T, Schirok, H, Bohlmann, R, Nguyen, D, Fernandez-Montalvan, A, Boemer, U, Eberspaecher, U, Brands, M, Nussbaum, F, Koppitz, M. | | 登録日 | 2019-12-06 | | 公開日 | 2020-05-13 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | | 主引用文献 | Treating Cancer by Spindle Assembly Checkpoint Abrogation: Discovery of Two Clinical Candidates, BAY 1161909 and BAY 1217389, Targeting MPS1 Kinase.
J.Med.Chem., 63, 2020
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6TNB
 | | X-RAY STRUCTURE OF MPS1 IN COMPLEX WITH COMPOUND 41 | | 分子名称: | (2~{R})-2-(4-fluorophenyl)-~{N}-[4-[2-[(2-methoxy-4-methylsulfonyl-phenyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide, CHLORIDE ION, Dual specificity protein kinase TTK | | 著者 | Holton, S.J, Schulze, V.K, Klar, U, Kosemund, D, Siemeister, G, Bader, B, Prechtl, S, Briem, H, Marquardt, T, Schirok, H, Bohlmann, R, Nguyen, D, Fernandez-Montalvan, A, Boemer, U, Eberspaecher, U, Brands, M, Nussbaum, F, Koppitz, M. | | 登録日 | 2019-12-06 | | 公開日 | 2020-05-13 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Treating Cancer by Spindle Assembly Checkpoint Abrogation: Discovery of Two Clinical Candidates, BAY 1161909 and BAY 1217389, Targeting MPS1 Kinase.
J.Med.Chem., 63, 2020
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6TMY
 | | Crystal structure of isoform CBd of the basic phospholipase A2 subunit of crotoxin from Crotalus durissus terrificus | | 分子名称: | CHLORIDE ION, Phospholipase A2 crotoxin basic subunit CBc, SODIUM ION, ... | | 著者 | Nemecz, D, Ostrowski, M, Saul, F.A, Faure, G. | | 登録日 | 2019-12-05 | | 公開日 | 2020-12-02 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal Structure of Isoform CBd of the Basic Phospholipase A 2 Subunit of Crotoxin: Description of the Structural Framework of CB for Interaction with Protein Targets.
Molecules, 25, 2020
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6LGM
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