5NI7
 
 | | Ligand complex of RORg LBD | | 分子名称: | DIMETHYL SULFOXIDE, Nuclear receptor ROR-gamma, SODIUM ION, ... | | 著者 | Xue, Y, Aagaard, A, Narjes, F. | | 登録日 | 2017-03-23 | | 公開日 | 2018-08-22 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Potent and Orally Bioavailable Inverse Agonists of ROR gamma t Resulting from Structure-Based Design.
J. Med. Chem., 61, 2018
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5NI5
 | | Ligand complex of RORg LBD | | 分子名称: | Nuclear receptor ROR-gamma, SODIUM ION, tethered SRC2-2 peptide, ... | | 著者 | Xue, Y, Aagaard, A, Narjes, F. | | 登録日 | 2017-03-23 | | 公開日 | 2018-08-22 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Potent and Orally Bioavailable Inverse Agonists of ROR gamma t Resulting from Structure-Based Design.
J. Med. Chem., 61, 2018
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5NI8
 | | Ligand complex of RORg LBD | | 分子名称: | 2-(4-ethylsulfonylphenyl)-~{N}-[4-(2-phenylmethoxypyridin-3-yl)thiophen-2-yl]ethanamide, Nuclear receptor ROR-gamma, SODIUM ION, ... | | 著者 | Xue, Y, Aagaard, A, Narjes, F. | | 登録日 | 2017-03-23 | | 公開日 | 2018-08-22 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Potent and Orally Bioavailable Inverse Agonists of ROR gamma t Resulting from Structure-Based Design.
J. Med. Chem., 61, 2018
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6R7J
 | | Ligand complex of RORg LBD | | 分子名称: | (2~{R})-2-acetamido-2-(4-ethylsulfonylphenyl)-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]ethanamide, DIMETHYL SULFOXIDE, Nuclear receptor ROR-gamma, ... | | 著者 | Xue, Y, Aagaard, A, Narjes, F. | | 登録日 | 2019-03-29 | | 公開日 | 2019-07-03 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Discovery of Potent and Orally Bioavailable Inverse Agonists of the Retinoic Acid Receptor-Related Orphan Receptor C2.
Acs Med.Chem.Lett., 10, 2019
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6R7K
 | | Ligand complex of RORg LBD | | 分子名称: | (2~{R})-2-(4-ethylsulfonylphenyl)-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-2-(2-phenylethanoylamino)ethanamide, DIMETHYL SULFOXIDE, Nuclear receptor ROR-gamma, ... | | 著者 | Xue, Y, Aagaard, A, Narjes, F, von Berg, S. | | 登録日 | 2019-03-29 | | 公開日 | 2019-07-03 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Discovery of Potent and Orally Bioavailable Inverse Agonists of the Retinoic Acid Receptor-Related Orphan Receptor C2.
Acs Med.Chem.Lett., 10, 2019
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6R7A
 | | Ligand complex of RORg LBD | | 分子名称: | LYS-HIS-LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN-ASP-SER, Nuclear receptor ROR-gamma, SODIUM ION, ... | | 著者 | Xue, Y, Aagaard, A, Narjes, F. | | 登録日 | 2019-03-28 | | 公開日 | 2019-07-03 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | | 主引用文献 | Discovery of Potent and Orally Bioavailable Inverse Agonists of the Retinoic Acid Receptor-Related Orphan Receptor C2.
Acs Med.Chem.Lett., 10, 2019
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7S5H
 | | PCSK9(deltaCRD) in complex with cyclic peptide 35 | | 分子名称: | (2E)-but-2-ene-1,4-diol, Pro-peptide from Proprotein convertase subtilisin/kexin type 9, Proprotein convertase subtilisin/kexin type 9, ... | | 著者 | Orth, P. | | 登録日 | 2021-09-10 | | 公開日 | 2021-11-03 | | 最終更新日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (1.272 Å) | | 主引用文献 | A Series of Novel, Highly Potent, and Orally Bioavailable Next-Generation Tricyclic Peptide PCSK9 Inhibitors.
J.Med.Chem., 64, 2021
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7S5G
 | | PCSK9 in complex with compound 19 | | 分子名称: | (2E)-but-2-ene-1,4-diol, GLYCEROL, Propeptide of Proprotein convertase subtilisin/kexin type 9, ... | | 著者 | Orth, P. | | 登録日 | 2021-09-10 | | 公開日 | 2021-11-03 | | 最終更新日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (2.041 Å) | | 主引用文献 | A Series of Novel, Highly Potent, and Orally Bioavailable Next-Generation Tricyclic Peptide PCSK9 Inhibitors.
J.Med.Chem., 64, 2021
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9VD9
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7OFK
 | | Ligand complex of RORg LBD | | 分子名称: | (1~{R})-2-ethanoyl-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-5-methylsulfonyl-1,3-dihydroisoindole-1-carboxamide, DIMETHYL SULFOXIDE, Nuclear receptor ROR-gamma, ... | | 著者 | Xue, Y, Aagaard, A, Narjes, F. | | 登録日 | 2021-05-05 | | 公開日 | 2022-03-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | | 主引用文献 | AZD0284, a Potent, Selective, and Orally Bioavailable Inverse Agonist of Retinoic Acid Receptor-Related Orphan Receptor C2.
J.Med.Chem., 64, 2021
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7OFI
 | | Ligand complex of RORg LBD | | 分子名称: | (2~{R})-2-(4-ethylsulfonylphenyl)-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-~{N}'-methyl-butanediamide, DIMETHYL SULFOXIDE, Nuclear receptor ROR-gamma, ... | | 著者 | Xue, Y, Aagaard, A, Narjes, F. | | 登録日 | 2021-05-05 | | 公開日 | 2022-03-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.953 Å) | | 主引用文献 | AZD0284, a Potent, Selective, and Orally Bioavailable Inverse Agonist of Retinoic Acid Receptor-Related Orphan Receptor C2.
J.Med.Chem., 64, 2021
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8Q7E
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8Q7H
 | | Structure of CUL9-RBX1 ubiquitin E3 ligase complex in unneddylated and neddylated conformation - focused cullin dimer | | 分子名称: | Cullin-9, E3 ubiquitin-protein ligase RBX1, NEDD8, ... | | 著者 | Hopf, L.V.M, Horn-Ghetko, D, Schulman, B.A. | | 登録日 | 2023-08-16 | | 公開日 | 2024-04-17 | | 最終更新日 | 2024-07-31 | | 実験手法 | ELECTRON MICROSCOPY (4.1 Å) | | 主引用文献 | Noncanonical assembly, neddylation and chimeric cullin-RING/RBR ubiquitylation by the 1.8 MDa CUL9 E3 ligase complex.
Nat.Struct.Mol.Biol., 31, 2024
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8QA7
 | | Crystal structure of HDAC6 catalytic domain 2 from zebrafish in complex with buffer component. | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Histone deacetylase 6, POTASSIUM ION, ... | | 著者 | Sandmark, J, Ek, M. | | 登録日 | 2023-08-22 | | 公開日 | 2024-09-11 | | 最終更新日 | 2025-03-26 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Selective and Bioavailable HDAC6 2-(Difluoromethyl)-1,3,4-oxadiazole Substrate Inhibitors and Modeling of Their Bioactivation Mechanism.
J.Med.Chem., 66, 2023
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5GZR
 | | Zika virus E protein complexed with a neutralizing antibody Z23-Fab | | 分子名称: | Z23 Fab heavy chain, Z23 Fab light chain, structural protein E, ... | | 著者 | Gao, G.G, Shi, Y, Peng, R, Liu, S. | | 登録日 | 2016-10-01 | | 公開日 | 2016-11-30 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (9.4 Å) | | 主引用文献 | Molecular determinants of human neutralizing antibodies isolated from a patient infected with Zika virus
Sci Transl Med, 8, 2016
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4WF6
 | | Anthrax toxin lethal factor with bound small molecule inhibitor MK-31 | | 分子名称: | 1,2-ETHANEDIOL, Lethal factor, N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-D-alaninamide, ... | | 著者 | Maize, K.M, De la Mora-Rey, T, Finzel, B.C. | | 登録日 | 2014-09-12 | | 公開日 | 2015-09-09 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.6521 Å) | | 主引用文献 | Probing the S2' Subsite of the Anthrax Toxin Lethal Factor Using Novel N-Alkylated Hydroxamates.
J.Med.Chem., 58, 2015
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6V3Z
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2MRM
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6XIE
 | | PCSK9(deltaCRD) in complex with cyclic peptide 77 | | 分子名称: | GLYCEROL, Peptide 77, Proprotein convertase subtilisin/kexin type 9 | | 著者 | Orth, P. | | 登録日 | 2020-06-19 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | Series of Novel and Highly Potent Cyclic Peptide PCSK9 Inhibitors Derived from an mRNA Display Screen and Optimized via Structure-Based Design.
J.Med.Chem., 63, 2020
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6XIC
 | | PCSK9(deltaCRD) in complex with cyclic peptide 40 | | 分子名称: | GLYCEROL, Peptide 40, Proprotein convertase subtilisin/kexin type 9 | | 著者 | Orth, P. | | 登録日 | 2020-06-19 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (1.377 Å) | | 主引用文献 | Series of Novel and Highly Potent Cyclic Peptide PCSK9 Inhibitors Derived from an mRNA Display Screen and Optimized via Structure-Based Design.
J.Med.Chem., 63, 2020
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6XIF
 | | PCSK9(deltaCRD) in complex with cyclic peptide 83 | | 分子名称: | GLYCEROL, Peptide 83, Proprotein convertase subtilisin/kexin type 9 | | 著者 | Orth, P. | | 登録日 | 2020-06-19 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (1.774 Å) | | 主引用文献 | Series of Novel and Highly Potent Cyclic Peptide PCSK9 Inhibitors Derived from an mRNA Display Screen and Optimized via Structure-Based Design.
J.Med.Chem., 63, 2020
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6XID
 | | PCSK9(deltaCRD) in complex with cyclic peptide 51 | | 分子名称: | GLYCEROL, Peptide 51, Proprotein convertase subtilisin/kexin type 9 | | 著者 | Orth, P. | | 登録日 | 2020-06-19 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (1.482 Å) | | 主引用文献 | Series of Novel and Highly Potent Cyclic Peptide PCSK9 Inhibitors Derived from an mRNA Display Screen and Optimized via Structure-Based Design.
J.Med.Chem., 63, 2020
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6XIB
 | | PCSK9(deltaCRD) in complex with cyclic peptide 30 | | 分子名称: | GLYCEROL, Peptide 30, Proprotein convertase subtilisin/kexin type 9 | | 著者 | Orth, P. | | 登録日 | 2020-06-19 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (1.546 Å) | | 主引用文献 | Series of Novel and Highly Potent Cyclic Peptide PCSK9 Inhibitors Derived from an mRNA Display Screen and Optimized via Structure-Based Design.
J.Med.Chem., 63, 2020
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4FFV
 | | Crystal Structure of Dipeptidyl Peptidase IV (DPP4, DPP-IV, CD26) in Complex with 11A19 Fab | | 分子名称: | 11A19 Fab heavy chain, 11A19 Fab light chain, Dipeptidyl peptidase 4 | | 著者 | Wang, Z, Sudom, A, Walker, N.P, Min, X. | | 登録日 | 2012-06-01 | | 公開日 | 2012-12-12 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | An Inhibitory Antibody Against DPP IV Improves Glucose Tolerance in vivo - Validation of Large Molecule Approach for DPP IV Inhibition
To be published
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4FFW
 | | Crystal Structure of Dipeptidyl Peptidase IV (DPP4, DPP-IV, CD26) in Complex with Fab + sitagliptin | | 分子名称: | (2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-A MINE, Dipeptidyl peptidase 4, Fab heavy chain, ... | | 著者 | Wang, Z, Sudom, A, Walker, N.P, Min, X. | | 登録日 | 2012-06-01 | | 公開日 | 2012-12-12 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | An Inhibitory Antibody Against DPP IV Improves Glucose Tolerance in vivo - Validation of Large Molecule Approach for DPP IV Inhibition
To be published
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