7AW0
| MerTK kinase domain in complex with purine inhibitor | 分子名称: | 2-(cyclopentyloxy)-9-(2,6-difluorobenzyl)-N-methyl-9H-purin-6-amine, Tyrosine-protein kinase Mer | 著者 | Schimpl, M, Nissink, J.W.M, Blackett, C, Clarke, M, Disch, J, Goldberg, K, Guilinger, J, Hennessy, E.J, Jetson, R, Ginkunja, D, Hardaker, E, Keefe, A, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S, Zhang, Y. | 登録日 | 2020-11-06 | 公開日 | 2021-03-03 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.893 Å) | 主引用文献 | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy. J.Med.Chem., 64, 2021
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7XKA
| Structure of human beta2 adrenergic receptor bound to constrained epinephrine | 分子名称: | (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Camelid Antibody Fragment, Endolysin,Beta-2 adrenergic receptor, ... | 著者 | Xu, X, Shonberg, J, Kaindl, J, Clark, M, Stobel, A, Maul, L, Mayer, D, Hubner, H, Venkatakrishnan, A, Dror, R, Kobilka, B.K, Sunahara, R, Liu, X, Gmeiner, P. | 登録日 | 2022-04-19 | 公開日 | 2023-04-26 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Constrained catecholamines gain beta 2 AR selectivity through allosteric effects on pocket dynamics. Nat Commun, 14, 2023
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7XK9
| Structure of human beta2 adrenergic receptor bound to constrained isoproterenol | 分子名称: | (5R,6R)-6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Camelid Antibody Fragment, Endolysin,Beta-2 adrenergic receptor, ... | 著者 | Xu, X, Shonberg, J, Kaindl, J, Clark, M, Stobel, A, Maul, L, Mayer, D, Hubner, H, Venkatakrishnan, A, Dror, R, Kobilka, B.K, Sunahara, R, Liu, X, Gmeiner, P. | 登録日 | 2022-04-19 | 公開日 | 2023-04-26 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | 主引用文献 | Constrained catecholamines gain beta 2 AR selectivity through allosteric effects on pocket dynamics. Nat Commun, 14, 2023
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7BU7
| Structure of human beta1 adrenergic receptor bound to BI-167107 and nanobody 6B9 | 分子名称: | (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 8-[(1R)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one, ... | 著者 | Xu, X, Kaindl, J, Clark, M, Hubner, H, Hirata, K, Sunahara, R, Gmeiner, P, Kobilka, B.K, Liu, X. | 登録日 | 2020-04-04 | 公開日 | 2020-12-02 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Binding pathway determines norepinephrine selectivity for the human beta 1 AR over beta 2 AR. Cell Res., 31, 2021
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7BVQ
| Structure of human beta1 adrenergic receptor bound to carazolol | 分子名称: | (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol, (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, CHOLESTEROL, ... | 著者 | Xu, X, Kaindl, J, Clark, M, Hubner, H, Hirata, K, Sunahara, R, Gmeiner, P, Kobilka, B.K, Liu, X. | 登録日 | 2020-04-11 | 公開日 | 2020-12-02 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Binding pathway determines norepinephrine selectivity for the human beta 1 AR over beta 2 AR. Cell Res., 31, 2021
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7BU6
| Structure of human beta1 adrenergic receptor bound to norepinephrine and nanobody 6B9 | 分子名称: | (2S)-2,3-dihydroxypropyl octanoate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHOLESTEROL, ... | 著者 | Xu, X, Kaindl, J, Clark, M, Hubner, H, Hirata, K, Sunahara, R, Gmeiner, P, Kobilka, B.K, Liu, X. | 登録日 | 2020-04-04 | 公開日 | 2020-12-02 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Binding pathway determines norepinephrine selectivity for the human beta 1 AR over beta 2 AR. Cell Res., 31, 2021
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7BTS
| Structure of human beta1 adrenergic receptor bound to epinephrine and nanobody 6B9 | 分子名称: | (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHOLESTEROL, ... | 著者 | Xu, X, Kaindl, J, Clark, M, Hubner, H, Hirata, K, Sunahara, R, Gmeiner, P, Kobilka, B.K, Liu, X. | 登録日 | 2020-04-02 | 公開日 | 2020-12-02 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3.13 Å) | 主引用文献 | Binding pathway determines norepinephrine selectivity for the human beta 1 AR over beta 2 AR. Cell Res., 31, 2021
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8AIT
| Crystal structure of cutinase PbauzCut from Pseudomonas bauzanensis | 分子名称: | Cutinase, SULFATE ION | 著者 | Zahn, M, Allen, M.D, Pickford, A.R, McGeehan, J.E. | 登録日 | 2022-07-27 | 公開日 | 2023-03-08 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | 主引用文献 | Concentration-Dependent Inhibition of Mesophilic PETases on Poly(ethylene terephthalate) Can Be Eliminated by Enzyme Engineering. ChemSusChem, 16, 2023
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8AIS
| Crystal structure of cutinase PsCut from Pseudomonas saudimassiliensis | 分子名称: | ACETATE ION, Lipase 1 | 著者 | Zahn, M, Allen, M.D, Pickford, A.R, McGeehan, J.E. | 登録日 | 2022-07-27 | 公開日 | 2023-03-08 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | 主引用文献 | Concentration-Dependent Inhibition of Mesophilic PETases on Poly(ethylene terephthalate) Can Be Eliminated by Enzyme Engineering. ChemSusChem, 16, 2023
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8AIR
| Crystal structure of cutinase RgCutII from Rhizobacter gummiphilus | 分子名称: | ACETATE ION, RgCutII | 著者 | Zahn, M, Allen, M.D, Pickford, A.R, McGeehan, J.E. | 登録日 | 2022-07-27 | 公開日 | 2023-03-08 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.08 Å) | 主引用文献 | Concentration-Dependent Inhibition of Mesophilic PETases on Poly(ethylene terephthalate) Can Be Eliminated by Enzyme Engineering. ChemSusChem, 16, 2023
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4ZQA
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5CJO
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8T7I
| Structure of the S1CE variant of Fab F1 (FabS1CE-F1) | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, S1CE variant of Fab F1 heavy chain, ... | 著者 | Singer, A.U, Bruce, H.A, Enderle, L, Blazer, L, Adams, J.J, Sicheri, F, Sidhu, S.S. | 登録日 | 2023-06-20 | 公開日 | 2023-11-22 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Engineered antigen-binding fragments for enhanced crystallization of antibody:antigen complexes. Protein Sci., 33, 2024
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8T7G
| Structure of the CK variant of Fab F1 (FabC-F1) | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, CK variant of Fab F1 heavy chain, ... | 著者 | Singer, A.U, Bruce, H.A, Blazer, L, Adams, J.J, Sicheri, F, Sidhu, S.S. | 登録日 | 2023-06-20 | 公開日 | 2023-11-22 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Engineered antigen-binding fragments for enhanced crystallization of antibody:antigen complexes. Protein Sci., 33, 2024
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8T7F
| Structure of the S1 variant of Fab F1 | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, S1 variant of Fab F1 heavy chain, S1 variant of Fab F1 light chain, ... | 著者 | Singer, A.U, Bruce, H.A, Enderle, L, Blazer, L, Adams, J.J, Sicheri, F, Sidhu, S.S. | 登録日 | 2023-06-20 | 公開日 | 2023-11-22 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | Engineered antigen-binding fragments for enhanced crystallization of antibody:antigen complexes. Protein Sci., 33, 2024
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6AZ2
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6AYZ
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4ENH
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7SND
| Pacifastin related protease inhibitors | 分子名称: | GLYCEROL, PHOSPHATE ION, Pacifastin-related peptide | 著者 | Gewe, M.M, Strong, R.K. | 登録日 | 2021-10-27 | 公開日 | 2022-08-03 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Ex silico engineering of cystine-dense peptides yielding a potent bispecific T cell engager. Sci Transl Med, 14, 2022
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7SNC
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5OTF
| MRCK beta in complex with BDP-00009066 | 分子名称: | (6~{S})-8-(3-pyrimidin-4-yl-1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-1,8-diazaspiro[5.5]undecane, 1,2-ETHANEDIOL, CHLORIDE ION, ... | 著者 | Schuettelkopf, A.W. | 登録日 | 2017-08-21 | 公開日 | 2018-02-21 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of Potent and Selective MRCK Inhibitors with Therapeutic Effect on Skin Cancer. Cancer Res., 78, 2018
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5OTE
| MRCK beta in complex with BDP-00008900 | 分子名称: | 1,2-ETHANEDIOL, 2-[4-[(6~{S})-1,8-diazaspiro[5.5]undecan-8-yl]-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole, CHLORIDE ION, ... | 著者 | Schuettelkopf, A.W. | 登録日 | 2017-08-21 | 公開日 | 2018-02-21 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Discovery of Potent and Selective MRCK Inhibitors with Therapeutic Effect on Skin Cancer. Cancer Res., 78, 2018
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6RSF
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6RSG
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7SJQ
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