7ML9
 
 | | The Mpp75Aa1.1 beta-pore-forming protein from Brevibacillus laterosporus | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Insecticidal protein, ... | | 著者 | Rydel, T.J, Zheng, M, Evdokimov, A. | | 登録日 | 2021-04-27 | | 公開日 | 2021-05-05 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Structural and functional characterization of Mpp75Aa1.1, a putative beta-pore forming protein from Brevibacillus laterosporus active against the western corn rootworm.
Plos One, 16, 2021
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6VCG
 | | Crystal structure of Nitrosotalea devanaterra carotenoid cleavage dioxygenase, cobalt form | | 分子名称: | CHLORIDE ION, COBALT (II) ION, SODIUM ION, ... | | 著者 | Daruwalla, A, Shi, W, Kiser, P.D. | | 登録日 | 2019-12-20 | | 公開日 | 2020-07-08 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural basis for carotenoid cleavage by an archaeal carotenoid dioxygenase.
Proc.Natl.Acad.Sci.USA, 117, 2020
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5WMG
 | | N-terminal bromodomain of BRD4 in complex with OTX-015 | | 分子名称: | 1,2-ETHANEDIOL, 4-{6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-(pyridin-2-yl)ethyl]-1H-pyrrolo[3,2-b]pyridin-3-yl}benzoic acid, Bromodomain-containing protein 4 | | 著者 | Zhang, Y. | | 登録日 | 2017-07-28 | | 公開日 | 2018-08-01 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.19 Å) | | 主引用文献 | BRD4 Profiling Identifies Critical Chronic Lymphocytic Leukemia Oncogenic Circuits and Reveals Sensitivity to PLX51107, a Novel Structurally Distinct BET Inhibitor.
Cancer Discov, 8, 2018
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6BMK
 | | Crystal structure of MHC-I like protein | | 分子名称: | (2R)-1-(decanoyloxy)-3-(phosphonooxy)propan-2-yl octadecanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Khandokar, Y.B, Le Nours, J, Rossjohn, J. | | 登録日 | 2017-11-15 | | 公開日 | 2018-01-31 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | | 主引用文献 | Differing roles of CD1d2 and CD1d1 proteins in type I natural killer T cell development and function.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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3FTZ
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6BMH
 | | Crystal structure of MHC-I like protein | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d2, ... | | 著者 | Khandokar, Y.B, Le Nours, J, Rossjohn, J. | | 登録日 | 2017-11-14 | | 公開日 | 2018-01-31 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.298 Å) | | 主引用文献 | Differing roles of CD1d2 and CD1d1 proteins in type I natural killer T cell development and function.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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8DZP
 | | momSalB bound Kappa Opioid Receptor in complex with Gi1 | | 分子名称: | 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, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | | 著者 | Fay, J.F, Che, T. | | 登録日 | 2022-08-08 | | 公開日 | 2023-05-03 | | 最終更新日 | 2023-05-24 | | 実験手法 | ELECTRON MICROSCOPY (2.71 Å) | | 主引用文献 | Ligand and G-protein selectivity in the kappa-opioid receptor.
Nature, 617, 2023
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8DZQ
 | | momSalB bound Kappa Opioid Receptor in complex with GoA | | 分子名称: | 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, Guanine nucleotide-binding protein G(o) subunit alpha, ... | | 著者 | Fay, J.F, Che, T. | | 登録日 | 2022-08-08 | | 公開日 | 2023-05-03 | | 最終更新日 | 2023-09-20 | | 実験手法 | ELECTRON MICROSCOPY (2.82 Å) | | 主引用文献 | Ligand and G-protein selectivity in the kappa-opioid receptor.
Nature, 617, 2023
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8DZR
 | | GR89,696 bound Kappa Opioid Receptor in complex with gustducin | | 分子名称: | G alpha gustducin protein, 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 | Fay, J.F, Che, T. | | 登録日 | 2022-08-08 | | 公開日 | 2023-05-03 | | 最終更新日 | 2023-05-31 | | 実験手法 | ELECTRON MICROSCOPY (2.61 Å) | | 主引用文献 | Ligand and G-protein selectivity in the kappa-opioid receptor.
Nature, 617, 2023
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8DZS
 | | GR89,696 bound Kappa Opioid Receptor in complex with Gz | | 分子名称: | 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, Guanine nucleotide-binding protein G(z) subunit alpha, ... | | 著者 | Fay, J.F, Che, T. | | 登録日 | 2022-08-08 | | 公開日 | 2023-05-03 | | 最終更新日 | 2024-10-09 | | 実験手法 | ELECTRON MICROSCOPY (2.65 Å) | | 主引用文献 | Ligand and G-protein selectivity in the kappa-opioid receptor.
Nature, 617, 2023
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7V14
 | | Factor XIa in Complex with Compound 2h | | 分子名称: | 5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-1,3-thiazole, CITRIC ACID, Coagulation factor XIa light chain | | 著者 | Shaffer, P.L, Cedervall, P, Milligan, C.M. | | 登録日 | 2022-05-11 | | 公開日 | 2022-08-03 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.697 Å) | | 主引用文献 | Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions.
J.Med.Chem., 65, 2022
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8DOC
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7V18
 | | Factor XIa in Complex with Compound 3f | | 分子名称: | 2-[(1~{R})-3-[bis(fluoranyl)methoxy]-1-[4-(3-methyl-1,2,3-triazol-4-yl)pyrazol-1-yl]propyl]-5-[3-chloranyl-6-(4-chloranyl-1,2,3-triazol-1-yl)-2-fluoranyl-phenyl]-1-oxidanyl-pyridine, CITRIC ACID, Coagulation factor XIa light chain | | 著者 | Shaffer, P.L, Milligan, C.M. | | 登録日 | 2022-05-11 | | 公開日 | 2022-08-03 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.732 Å) | | 主引用文献 | Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions.
J.Med.Chem., 65, 2022
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7V17
 | | Factor XIa in Complex with Compound 2k | | 分子名称: | 5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-2-[(1~{R})-2-cyclopropyl-1-[4-(3-methylimidazol-4-yl)pyrazol-1-yl]ethyl]-1-oxidanyl-pyridine, CITRIC ACID, Coagulation factor XIa light chain | | 著者 | Shaffer, P.L, Milligan, C.M, Cedervall, P. | | 登録日 | 2022-05-11 | | 公開日 | 2022-08-03 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.522 Å) | | 主引用文献 | Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions.
J.Med.Chem., 65, 2022
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7V13
 | | Factor XIa in Complex with Compound 2g | | 分子名称: | 3-chloranyl-4-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-5-fluoranyl-pyridine, CITRIC ACID, Coagulation factor XIa light chain | | 著者 | Shaffer, P.L, Milligan, C.M, Cedervall, P. | | 登録日 | 2022-05-11 | | 公開日 | 2022-08-03 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.589 Å) | | 主引用文献 | Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions.
J.Med.Chem., 65, 2022
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7V16
 | | Factor XIa in Complex with Compound 2j | | 分子名称: | 5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-2-[(1~{R})-2-cyclopropyl-1-[4-(2-methylpyrazol-3-yl)pyrazol-1-yl]ethyl]-1-oxidanyl-pyridine, CITRIC ACID, Coagulation factor XIa light chain | | 著者 | Shaffer, P.L, Milligan, C.M. | | 登録日 | 2022-05-11 | | 公開日 | 2022-08-03 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.505 Å) | | 主引用文献 | Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions.
J.Med.Chem., 65, 2022
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7V11
 | | Factor XIa in Complex with Compound 2e | | 分子名称: | 5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-6-methyl-pyridin-2-amine, CITRIC ACID, Coagulation factor XIa light chain | | 著者 | Shaffer, P.L, Milligan, C.M. | | 登録日 | 2022-05-11 | | 公開日 | 2022-08-03 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.472 Å) | | 主引用文献 | Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions.
J.Med.Chem., 65, 2022
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7V15
 | | Factor XIa in Complex with Compound 2i | | 分子名称: | 5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-4-methyl-1,3-thiazole, CITRIC ACID, Coagulation factor XIa light chain | | 著者 | Shaffer, P.L, Cedervall, P, Milligan, C.M. | | 登録日 | 2022-05-11 | | 公開日 | 2022-08-03 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.679 Å) | | 主引用文献 | Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions.
J.Med.Chem., 65, 2022
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6VCF
 | | Crystal structure of Nitrosotalea devanaterra carotenoid cleavage dioxygenase, iron form | | 分子名称: | BICARBONATE ION, CHLORIDE ION, FE (II) ION, ... | | 著者 | Daruwalla, A, Shi, W, Kiser, P.D. | | 登録日 | 2019-12-20 | | 公開日 | 2020-07-08 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.687 Å) | | 主引用文献 | Structural basis for carotenoid cleavage by an archaeal carotenoid dioxygenase.
Proc.Natl.Acad.Sci.USA, 117, 2020
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8E1P
 | | Crystal structure of BG505 SOSIP.v4.1-GT1.2 trimer in complex with gl-PGV20 and PGT124 Fabs | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG505-SOSIP.v4.1-GT1.2gp120, ... | | 著者 | Sarkar, A, Kumar, S, Wilson, I.A. | | 登録日 | 2022-08-11 | | 公開日 | 2023-06-21 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (3.82 Å) | | 主引用文献 | Germline-targeting HIV-1 Env vaccination induces VRC01-class antibodies with rare insertions.
Cell Rep Med, 4, 2023
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6VHS
 | | Crystal structure of CTX-M-14 in complex with beta-lactamase inhibitor ETX1317 | | 分子名称: | (2R)-({[(3R,6S)-6-carbamoyl-1-formyl-4-methyl-1,2,3,6-tetrahydropyridin-3-yl]amino}oxy)(fluoro)acetic acid, Beta-lactamase, PHOSPHATE ION | | 著者 | Sacco, M.D, Chen, Y. | | 登録日 | 2020-01-10 | | 公開日 | 2020-08-26 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | | 主引用文献 | Discovery of an Orally Available Diazabicyclooctane Inhibitor (ETX0282) of Class A, C, and D Serine beta-Lactamases.
J.Med.Chem., 63, 2020
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5WMA
 | | N-terminal bromodomain of BRD4 in complex with PLX5981 | | 分子名称: | 1,2-ETHANEDIOL, 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridine, Bromodomain-containing protein 4 | | 著者 | Zhang, Y. | | 登録日 | 2017-07-28 | | 公開日 | 2018-08-01 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.401 Å) | | 主引用文献 | BRD4 Profiling Identifies Critical Chronic Lymphocytic Leukemia Oncogenic Circuits and Reveals Sensitivity to PLX51107, a Novel Structurally Distinct BET Inhibitor.
Cancer Discov, 8, 2018
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6G3G
 | | Crystal structure of EDDS lyase in complex with succinate | | 分子名称: | Argininosuccinate lyase, DI(HYDROXYETHYL)ETHER, SUCCINIC ACID | | 著者 | Poddar, H, Thunnissem, A.M.W.H, Poelarends, G.J. | | 登録日 | 2018-03-25 | | 公開日 | 2018-05-16 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.606 Å) | | 主引用文献 | Structural Basis for the Catalytic Mechanism of Ethylenediamine- N, N'-disuccinic Acid Lyase, a Carbon-Nitrogen Bond-Forming Enzyme with a Broad Substrate Scope.
Biochemistry, 57, 2018
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6J5S
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6J53
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