7LMV
 
 | | SPECIFIC INHIBITOR OF INTEGRIN ALPHA-V BETA-6 | | 分子名称: | Integrin inhibitor | | 著者 | Dong, X, Bera, A.K, Roy, A, Shi, L, Springer, T.A, Baker, D. | | 登録日 | 2021-02-05 | | 公開日 | 2022-08-10 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8.
Nat Commun, 14, 2023
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7DSY
 | | Crystal Structure of RNase L in complex with KM05073 | | 分子名称: | 1-chloranyl-3-methylsulfinyl-6,7-dihydro-5H-2-benzothiophen-4-one, 5'-O-MONOPHOSPHORYLADENYLYL(2'->5')ADENYLYL(2'->5')ADENOSINE, PHOSPHATE ION, ... | | 著者 | Tang, J, Huang, H. | | 登録日 | 2021-01-03 | | 公開日 | 2021-11-24 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.651 Å) | | 主引用文献 | Identification of Small Molecule Inhibitors of RNase L by Fragment-Based Drug Discovery
J.Med.Chem., 65, 2022
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7R7Z
 | | Crystal structure of QW9-HLA-B*5301 specific T Cell Receptor, C3 | | 分子名称: | Alpha chain of C3 TCR, Beta chain of C3 TCR, HEXAETHYLENE GLYCOL, ... | | 著者 | Li, X.L, Tan, K.M, Xu, S.T, Ng, R, Walker, B.D, Wang, J.H. | | 登録日 | 2021-06-25 | | 公開日 | 2022-06-29 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.286 Å) | | 主引用文献 | Molecular basis of differential HLA class I-restricted T cell recognition of a highly networked HIV peptide.
Nat Commun, 14, 2023
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7R7V
 | | Crystal structure of HLA-B*5301 complex with an HIV-1 Gag-derived epitope QW9 | | 分子名称: | Beta-2-microglobulin, GLN-ALA-SER-GLN-GLU-VAL-LYS-ASN-TRP, GLYCEROL, ... | | 著者 | Li, X.L, Tan, K.M, Walker, B.D, Wang, J.H. | | 登録日 | 2021-06-25 | | 公開日 | 2022-06-29 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Molecular basis of differential HLA class I-restricted T cell recognition of a highly networked HIV peptide.
Nat Commun, 14, 2023
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7R7W
 | | Crystal structure of HLA-B*5301 complex with an HIV-1 Gag-derived epitope QW9 S3T variant | | 分子名称: | Beta-2-microglobulin, GLN-ALA-THR-GLN-GLU-VAL-LYS-ASN-TRP, MHC class I antigen | | 著者 | Li, X.L, Tan, K.M, Walker, B.D, Wang, J.H. | | 登録日 | 2021-06-25 | | 公開日 | 2022-06-29 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.17 Å) | | 主引用文献 | Molecular basis of differential HLA class I-restricted T cell recognition of a highly networked HIV peptide.
Nat Commun, 14, 2023
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7R7Y
 | | Crystal structure of HLA-B*5701 complex with an HIV-1 Gag-derived epitope QW9 S3T variant | | 分子名称: | Beta-2-microglobulin, GLN-ALA-THR-GLN-GLU-VAL-LYS-ASN-TRP, GLYCEROL, ... | | 著者 | Li, X.L, Ng, R, Tan, K.M, Walker, B.D, Wang, J.H. | | 登録日 | 2021-06-25 | | 公開日 | 2022-06-29 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.601 Å) | | 主引用文献 | Molecular basis of differential HLA class I-restricted T cell recognition of a highly networked HIV peptide.
Nat Commun, 14, 2023
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7R7X
 | | Crystal structure of HLA-B*5701 complex with an HIV-1 Gag-derived epitope QW9 | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-2-microglobulin, GLN-ALA-SER-GLN-GLU-VAL-LYS-ASN-TRP, ... | | 著者 | Li, X.L, Tan, K.M, Walker, B.D, Wang, J.H. | | 登録日 | 2021-06-25 | | 公開日 | 2022-06-29 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.099 Å) | | 主引用文献 | Molecular basis of differential HLA class I-restricted T cell recognition of a highly networked HIV peptide.
Nat Commun, 14, 2023
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7R80
 | | Crystal structure of C3 TCR complex with QW9-bound HLA-B*5301 | | 分子名称: | Alpha chain of C3 TCR, Beta Chain of C3 TCR, Beta-2-microglobulin, ... | | 著者 | Li, X.L, Tan, K.M, Walker, B.D, Wang, J.H. | | 登録日 | 2021-06-25 | | 公開日 | 2022-06-29 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Molecular basis of differential HLA class I-restricted T cell recognition of a highly networked HIV peptide.
Nat Commun, 14, 2023
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5WLE
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5WLF
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5EOB
 | | Crystal structure of CMET in complex with novel inhibitor | | 分子名称: | 6-[bis(fluoranyl)-[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline, Hepatocyte growth factor receptor | | 著者 | Liu, Q, Chen, T, Xu, Y. | | 登録日 | 2015-11-10 | | 公開日 | 2016-10-19 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Discovery of 6-(difluoro(6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl)quinoline as a highly potent and selective c-Met inhibitor
Eur.J.Med.Chem., 116, 2016
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8TCF
 | | Integrin alpha-v beta-8 in complex with minibinder B8_BP_dsulf | | 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, CALCIUM ION, ... | | 著者 | Campbell, M.G, Fernandez, A, Roy, A, Kraft, J, Baker, D. | | 登録日 | 2023-06-30 | | 公開日 | 2023-09-27 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8.
Nat Commun, 14, 2023
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8TCG
 | | Integrin alpha-v beta-6 in complex with minibinder B6_BP_dslf | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Integrin alpha-V heavy chain, ... | | 著者 | Campbell, M.G, Fernandez, A, Roy, A, Kraft, J, Baker, D. | | 登録日 | 2023-06-30 | | 公開日 | 2023-09-27 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8.
Nat Commun, 14, 2023
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7DTS
 | | Crystal structure of RNase L in complex with AC40357 | | 分子名称: | 5'-O-MONOPHOSPHORYLADENYLYL(2'->5')ADENYLYL(2'->5')ADENOSINE, PHOSPHATE ION, Ribonuclease L, ... | | 著者 | Tang, J, Huang, H. | | 登録日 | 2021-01-06 | | 公開日 | 2021-11-24 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.63 Å) | | 主引用文献 | Identification of Small Molecule Inhibitors of RNase L by Fragment-Based Drug Discovery
J.Med.Chem., 65, 2022
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7ELW
 | | Crystal structure of RNase L in complex with Myricetin | | 分子名称: | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, PHOSPHATE ION, Ribonuclease L, ... | | 著者 | Tang, J, Huang, H. | | 登録日 | 2021-04-12 | | 公開日 | 2021-11-24 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (3.55 Å) | | 主引用文献 | Identification of Small Molecule Inhibitors of RNase L by Fragment-Based Drug Discovery
J.Med.Chem., 65, 2022
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5UDD
 | | Crystal Structure of RSV F B9320 Bound to MEDI8897 | | 分子名称: | Fusion glycoprotein F0, MEDI8897 Fab Heavy Chain, MEDI8897 Fab Light Chain, ... | | 著者 | McLellan, J.S. | | 登録日 | 2016-12-26 | | 公開日 | 2017-05-17 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (4.3 Å) | | 主引用文献 | A highly potent extended half-life antibody as a potential RSV vaccine surrogate for all infants.
Sci Transl Med, 9, 2017
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7K7Q
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7K7O
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6NXG
 | | Crystal structure of glycylpeptide N-tetradecanoyltransferase from Plasmodium vivax in complex with inhibitor 303a | | 分子名称: | 1,2-ETHANEDIOL, 5-(4-chlorophenyl)-3-({[3-(morpholine-4-carbonyl)phenyl]amino}methyl)pyridin-2(1H)-one, BETA-MERCAPTOETHANOL, ... | | 著者 | Staker, B.L, Mayclin, S, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | 登録日 | 2019-02-08 | | 公開日 | 2020-01-01 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Identification of Selective Inhibitors ofPlasmodiumN-Myristoyltransferase by High-Throughput Screening.
J.Med.Chem., 63, 2020
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7P6N
 | | ROCK2 IN COMPLEX WITH COMPOUND 12 | | 分子名称: | Rho-associated protein kinase 2, ~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]-4-pyridin-4-yl-piperidine-1-carboxamide | | 著者 | Maillard, M.C. | | 登録日 | 2021-07-16 | | 公開日 | 2022-07-27 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Identification of a Potent, Selective, and Brain-Penetrant Rho Kinase Inhibitor and its Activity in a Mouse Model of Huntington's Disease.
J.Med.Chem., 65, 2022
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6T5I
 | | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with inhibitor of WNT production (IWP)-2 | | 分子名称: | DIMETHYL SULFOXIDE, Listeriolysin positive regulatory factor A, SODIUM ION, ... | | 著者 | Oelker, M, Grundstrom, C, Blumenthal, A, Sauer-Eriksson, A.E. | | 登録日 | 2019-10-16 | | 公開日 | 2021-10-27 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Inhibition of the master regulator of Listeria monocytogenes virulence enables bacterial clearance from spacious replication vacuoles in infected macrophages.
Plos Pathog., 18, 2022
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8I67
 | | Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with 2,4-Thiazolidinedione, Form I | | 分子名称: | 1,2-ETHANEDIOL, 1,3-thiazolidine-2,4-dione, Uracil-DNA glycosylase | | 著者 | Raj, P, Paul, A, Gopal, B. | | 登録日 | 2023-01-27 | | 公開日 | 2023-07-12 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment.
Eur.J.Med.Chem., 258, 2023
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8I61
 | | Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Barbituric acid and Citric acid, Form I | | 分子名称: | 1,2-ETHANEDIOL, BARBITURIC ACID, CITRIC ACID, ... | | 著者 | Raj, P, Paul, A, Gopal, B. | | 登録日 | 2023-01-27 | | 公開日 | 2023-07-12 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | | 主引用文献 | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment.
Eur.J.Med.Chem., 258, 2023
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8I69
 | | Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with 5-Fluoroorotic acid and Citric acid, Form I | | 分子名称: | 1,2-ETHANEDIOL, 5-FLUORO-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, CITRIC ACID, ... | | 著者 | Raj, P, Paul, A, Gopal, B. | | 登録日 | 2023-01-27 | | 公開日 | 2023-07-12 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment.
Eur.J.Med.Chem., 258, 2023
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8I6B
 | | Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with 5-Hydroxy-2,4(1H,3H)-pyrimidinedione, Form I | | 分子名称: | 1,2-ETHANEDIOL, 5-oxidanyl-1~{H}-pyrimidine-2,4-dione, CHLORIDE ION, ... | | 著者 | Raj, P, Paul, A, Gopal, B. | | 登録日 | 2023-01-27 | | 公開日 | 2023-07-12 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment.
Eur.J.Med.Chem., 258, 2023
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