8BWU
 
 | | Crystal structure of SARS-CoV-2 nsp14 methyltransferase domain in complex with the SS148 inhibitor | | 分子名称: | (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, Transcription factor ETV6,Proofreading exoribonuclease nsp14, ZINC ION | | 著者 | Konkolova, E, Klima, M, Boura, E, Jin, J, Kaniskan, H.U, Han, Y, Vedadi, M. | | 登録日 | 2022-12-07 | | 公開日 | 2023-10-11 | | 最終更新日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | | 主引用文献 | Application of established computational techniques to identify potential SARS-CoV-2 Nsp14-MTase inhibitors in low data regimes
Digit Discov, 2024
|
|
7OQD
 | | A single sulfatase is required for metabolism of colonic mucin O-glycans and intestinal colonization by a symbiotic human gut bacterium (BT1636-S1_20) | | 分子名称: | 3-O-sulfo-beta-D-galactopyranose, Arylsulfatase, CALCIUM ION | | 著者 | Sofia de Jesus Vaz Luis, A, Basle, A, Martens, E.C, Cartmell, A. | | 登録日 | 2021-06-03 | | 公開日 | 2021-10-27 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | A single sulfatase is required to access colonic mucin by a gut bacterium.
Nature, 598, 2021
|
|
8E90
 | | Inhibition of Human Menin by SNDX-5613 | | 分子名称: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-({4-[7-({(1r,4r)-4-[(ethanesulfonyl)amino]cyclohexyl}methyl)-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl}oxy)-N-ethyl-5-fluoro-N-(propan-2-yl)benzamide, ... | | 著者 | McKeever, B.M, KULKARNI, S, McGeehan, G.M. | | 登録日 | 2022-08-26 | | 公開日 | 2022-12-14 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | MEN1 mutations mediate clinical resistance to menin inhibition.
Nature, 615, 2023
|
|
6WIT
 | | Crystal structure of NHP D15.SD7 Fab in complex with 16055 V1V2 1FD6 scaffold | | 分子名称: | 16055 V1V2 1FD6 Scaffold, 2-acetamido-2-deoxy-beta-D-glucopyranose, NHP GN1-SD7 Fab Heavy Chain, ... | | 著者 | Liban, T, Aljedani, S, Rodarte, J, Pancera, M. | | 登録日 | 2020-04-10 | | 公開日 | 2021-04-14 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.79 Å) | | 主引用文献 | Structurally related but genetically unrelated antibody lineages converge on an immunodominant HIV-1 Env neutralizing determinant following trimer immunization.
Plos Pathog., 17, 2021
|
|
6XLZ
 | | Structure of NHP D11A.F2 Fab in complex with 16055 V2b peptide | | 分子名称: | (R,R)-2,3-BUTANEDIOL, Envelope glycoprotein gp160, NHP_D11A.F2_Fab_Heavy_chain, ... | | 著者 | Aljedani, S, Rodarte, J, Liban, T, Pancera, M. | | 登録日 | 2020-06-29 | | 公開日 | 2021-07-07 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structurally related but genetically unrelated antibody lineages converge on an immunodominant HIV-1 Env neutralizing determinant following trimer immunization.
Plos Pathog., 17, 2021
|
|
6XSN
 | |
7TZG
 | |
7TZ2
 | |
7TZH
 | |
7TZE
 | | Structure of murine LAG3 domains 1-2 | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Lymphocyte activation gene 3 protein | | 著者 | Ming, Q, Tran, T.H, Luca, V.C. | | 登録日 | 2022-02-15 | | 公開日 | 2022-05-11 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | LAG3 ectodomain structure reveals functional interfaces for ligand and antibody recognition.
Nat.Immunol., 23, 2022
|
|
7Z0Y
 | | THSC20.HVTR04 Fab bound to SARS-CoV-2 Receptor Binding Domain | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Spike protein S1, ... | | 著者 | Wibmer, C.K. | | 登録日 | 2022-02-23 | | 公開日 | 2022-04-13 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | A combination of potently neutralizing monoclonal antibodies isolated from an Indian convalescent donor protects against the SARS-CoV-2 Delta variant.
Plos Pathog., 18, 2022
|
|
7Z0X
 | | THSC20.HVTR26 Fab bound to SARS-CoV-2 Receptor Binding Domain | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Spike protein S1, ... | | 著者 | Wibmer, C.K. | | 登録日 | 2022-02-23 | | 公開日 | 2022-04-13 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | A combination of potently neutralizing monoclonal antibodies isolated from an Indian convalescent donor protects against the SARS-CoV-2 Delta variant.
Plos Pathog., 18, 2022
|
|
1IVB
 | |
5NG2
 | |
5NG0
 | | Structure of RIP2K(L294F) with bound AMPPCP | | 分子名称: | COBALT (II) ION, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | | 著者 | Pellegrini, E, Cusack, S. | | 登録日 | 2017-03-16 | | 公開日 | 2017-06-07 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structures of the inactive and active states of RIP2 kinase inform on the mechanism of activation.
PLoS ONE, 12, 2017
|
|
5NG3
 | | Structure of inactive kinase RIP2K(K47R) | | 分子名称: | Receptor-interacting serine/threonine-protein kinase 2, SULFATE ION | | 著者 | Pellegrini, E, Cusack, S. | | 登録日 | 2017-03-16 | | 公開日 | 2017-06-28 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structures of the inactive and active states of RIP2 kinase inform on the mechanism of activation.
PLoS ONE, 12, 2017
|
|
6XGT
 | |
7KXK
 | |
8VI8
 | | Engineered glutamine binding protein and a cobaloxime ligand - no GLN bound | | 分子名称: | AZIDOBIS (DIMETHYLGLYOXIMATO) PYRIDINECOBALT, Amino acid ABC transporter substrate-binding protein, SODIUM ION, ... | | 著者 | Boggs, D.G, Fatima, S, Olshansky, L, Bridwell-Rabb, J. | | 登録日 | 2024-01-03 | | 公開日 | 2024-09-04 | | 実験手法 | X-RAY DIFFRACTION (3.21 Å) | | 主引用文献 | Conformation-Dependent Hydrogen-Bonding Interactions in a Switchable Artificial Metalloprotein.
Biochemistry, 63, 2024
|
|
7DED
 | | Mevo lectin complex with mannoheptose (Man7) | | 分子名称: | 1,2-ETHANEDIOL, alpha-D-mannopyranose, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose, ... | | 著者 | Sivaji, N, Surolia, A, Vijayan, M. | | 登録日 | 2020-11-03 | | 公開日 | 2021-04-21 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.228 Å) | | 主引用文献 | Mevo lectin specificity toward high-mannose structures with terminal alpha Man(1,2) alpha Man residues and its implication to inhibition of the entry of Mycobacterium tuberculosis into macrophages.
Glycobiology, 31, 2021
|
|
7WVL
 | |
7UJ4
 | | Inhibition of Human Menin by SNDX-5613 | | 分子名称: | 2-({4-[7-({(1r,4r)-4-[(ethanesulfonyl)amino]cyclohexyl}methyl)-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl}oxy)-N-ethyl-5-fluoro-N-(propan-2-yl)benzamide, Isoform 2 of Menin, MAGNESIUM ION | | 著者 | McKeever, B.M, Kulkarni, S, McGeehan, G.M. | | 登録日 | 2022-03-30 | | 公開日 | 2022-12-14 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | MEN1 mutations mediate clinical resistance to menin inhibition.
Nature, 615, 2023
|
|
6U3Z
 | | Structure of VD20_5A4 Fab | | 分子名称: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | | 著者 | Dionne, G, Shapiro, L. | | 登録日 | 2019-08-22 | | 公開日 | 2019-11-20 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.99002314 Å) | | 主引用文献 | Extensive dissemination and intraclonal maturation of HIV Env vaccine-induced B cell responses.
J.Exp.Med., 217, 2020
|
|
6EF4
 | | Crystal structure of mouse PP2A Aalpha P179R mutant | | 分子名称: | Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform | | 著者 | Wang, Z, Shen, G, Xu, W. | | 登録日 | 2018-08-16 | | 公開日 | 2019-06-26 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | | 主引用文献 | The Highly Recurrent PP2A A alpha-Subunit Mutation P179R Alters Protein Structure and Impairs PP2A Enzyme Function to Promote Endometrial Tumorigenesis.
Cancer Res., 79, 2019
|
|
5J61
 | |
