8Z79
 
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8ZEM
 | | Crystal Structure of NLRP3 NACHT domain in complex with NP3-1 | | 分子名称: | 1-[5-[2,3-bis(chloranyl)phenyl]-2,3-dihydro-1~{H}-inden-4-yl]-3-[4-(2-oxidanylpropan-2-yl)thiophen-2-yl]sulfonyl-urea, ADENOSINE-5'-DIPHOSPHATE, NACHT, ... | | 著者 | Shi, C, Liu, Z.M. | | 登録日 | 2024-05-06 | | 公開日 | 2024-10-02 | | 実験手法 | X-RAY DIFFRACTION (3.32 Å) | | 主引用文献 | Deep-Learning-Driven Discovery of SN3-1, a Potent NLRP3 Inhibitor with Therapeutic Potential for Inflammatory Diseases.
J.Med.Chem., 2024
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8ZQA
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8ZVG
 | | Crystal structure of AetD in complex with L-tyrosine | | 分子名称: | AetD, FE (II) ION, NICKEL (II) ION, ... | | 著者 | Li, H, Dai, L, Zheng, H.B, Chen, C.-C, Guo, R.-T. | | 登録日 | 2024-06-11 | | 公開日 | 2024-10-02 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Structural and molecular insights of two unique enzymes involved in the biosynthesis of a natural halogenated nitrile.
Febs J., 2024
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8ZVH
 | | Crystal structure of AetD in complex with L-phenylalanine | | 分子名称: | AetD, FE (II) ION, NICKEL (II) ION, ... | | 著者 | Li, H, Dai, L, Zheng, H.B, Chen, C.-C, Guo, R.-T. | | 登録日 | 2024-06-11 | | 公開日 | 2024-10-02 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Structural and molecular insights of two unique enzymes involved in the biosynthesis of a natural halogenated nitrile.
Febs J., 2024
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9AXN
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9AXO
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9AXP
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9AXQ
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9AXR
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9AXS
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9BI8
 | | Crystal structure of inhibitor GNE-6893 bound to HPK1 | | 分子名称: | (3R,4S)-4-methyloxolan-3-yl [(6P)-8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase kinase kinase kinase 1, ... | | 著者 | Kiefer, J.R, Tellis, J.C, Chan, B.K, Wang, W, Wu, P, Choo, E.F, Heffron, T.P, Wei, B, Siu, M. | | 登録日 | 2024-04-22 | | 公開日 | 2024-10-02 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Discovery of GNE-6893, a Potent, Selective, Orally Bioavailable Small Molecule Inhibitor of HPK1.
Acs Med.Chem.Lett., 15, 2024
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9BIG
 | | Stat6 bound to degrader AK-1690 | | 分子名称: | Signal transducer and activator of transcription 6, [(2-{[(2S)-1-{(2S,4S)-4-[(7-{2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}hept-6-yn-1-yl)oxy]-2-[(2R)-2-phenylmorpholine-4-carbonyl]pyrrolidin-1-yl}-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl}-1-benzothiophen-5-yl)di(fluoro)methyl]phosphonic acid | | 著者 | Mallik, L, Stuckey, J.A. | | 登録日 | 2024-04-23 | | 公開日 | 2024-10-02 | | 実験手法 | X-RAY DIFFRACTION (3.304 Å) | | 主引用文献 | Discovery of AK-1690: A Potent and Highly Selective STAT6 PROTAC Degrader.
J.Med.Chem., 2024
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9BIK
 | | Crystal structure of inhibitor 1 bound to HPK1 | | 分子名称: | (1S,2S)-N-[(6P)-8-amino-6-(4-methylpyridin-3-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide, 1,2-ETHANEDIOL, Mitogen-activated protein kinase kinase kinase kinase 1 | | 著者 | Kiefer, J.T, Tellis, J.C, Chan, B.K, Wang, W, Wu, P, Siu, M, Heffron, T.P, Choo, E.F. | | 登録日 | 2024-04-23 | | 公開日 | 2024-10-02 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Discovery of GNE-6893, a Potent, Selective, Orally Bioavailable Small Molecule Inhibitor of HPK1.
Acs Med.Chem.Lett., 15, 2024
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9BJ1
 | | Crystal structure of inhibitor GNE-6893 bound to HPK1 | | 分子名称: | (4S,5R,7R,11aP)-10-{[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl}-N~3~-methyl-6,7-dihydro-5H-5,7-methanoimidazo[2,1-a][2]benzazepine-2,3-dicarboxamide, (9S)-2-{[(6P)-8-amino-6-(5-amino-4-methylpyridin-3-yl)-7-fluoroisoquinolin-3-yl]amino}-6-methyl-5,6-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7(8H)-one, 1,2-ETHANEDIOL, ... | | 著者 | Kiefer, J.R, Tellis, J.C, Chan, B.K, Wang, W, Wu, P, Choo, E.F, Heffron, T.P, Wei, B, Siu, M. | | 登録日 | 2024-04-24 | | 公開日 | 2024-10-02 | | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | | 主引用文献 | Discovery of GNE-6893, a Potent, Selective, Orally Bioavailable Small Molecule Inhibitor of HPK1.
Acs Med.Chem.Lett., 15, 2024
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9BVT
 | | RNA Pol II - High Mn(+2) concentration | | 分子名称: | DNA (5'-D(P*AP*CP*GP*TP*CP*CP*CP*TP*CP*TP*CP*GP*A)-3'), DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, ... | | 著者 | Calero, G. | | 登録日 | 2024-05-20 | | 公開日 | 2024-10-02 | | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | | 主引用文献 | Structural basis of transcription: RNA polymerase II substrate binding and metal coordination using a free-electron laser.
Proc.Natl.Acad.Sci.USA, 121, 2024
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9BW0
 | | RNA Polymerase II - No ATP | | 分子名称: | DNA (5'-D(P*AP*CP*GP*TP*CP*CP*CP*TP*CP*TP*CP*GP*A)-3'), DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, ... | | 著者 | Calero, G. | | 登録日 | 2024-05-20 | | 公開日 | 2024-10-02 | | 実験手法 | X-RAY DIFFRACTION (3.51 Å) | | 主引用文献 | Structural basis of transcription: RNA polymerase II substrate binding and metal coordination using a free-electron laser.
Proc.Natl.Acad.Sci.USA, 121, 2024
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9C10
 | | AMG 193, a clinical stage MTA-cooperative PRMT5 inhibitor, drives anti-tumor activity preclinically and in patients with MTAP-deleted cancers | | 分子名称: | (4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl){(3S)-3-[4-(trifluoromethyl)phenyl]morpholin-4-yl}methanone, 5'-DEOXY-5'-METHYLTHIOADENOSINE, DIMETHYL SULFOXIDE, ... | | 著者 | Ghimire-Rijal, S, Mukund, S. | | 登録日 | 2024-05-28 | | 公開日 | 2024-10-02 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | AMG 193, a clinical stage MTA-cooperative PRMT5 inhibitor, drives anti-tumor activity preclinically and in patients with MTAP-deleted cancers
To Be Published
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9C6L
 | | Yasminevirus c12orf29, a 5' to 3' RNA ligase | | 分子名称: | ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, RNA ligase1, ... | | 著者 | Hu, Y, Lopez, V.A, Tagliabracci, V.S, Tomchick, D.R. | | 登録日 | 2024-06-07 | | 公開日 | 2024-10-02 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Biochemical and structural insights into a 5' to 3' RNA ligase reveal a potential role in tRNA ligation
To Be Published
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9C6M
 | | Yasminevirus c12orf29, a 5' to 3' RNA ligase, K73M mutant | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, RNA ligase1 | | 著者 | Hu, Y, Lopez, V.A, Tagliabracci, V.S, Tomchick, D.R. | | 登録日 | 2024-06-07 | | 公開日 | 2024-10-02 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Biochemical and structural insights into a 5' to 3' RNA ligase reveal a potential role in tRNA ligation
To Be Published
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9C7A
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9C7B
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9CM8
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9CSY
 | | SARS-CoV-2 papain-like protease (PLpro) bound to PF-07957472 | | 分子名称: | 2-methyl-5-(4-methylpiperazin-1-yl)-N-{1-[(2P)-2-(1-methyl-1H-pyrazol-4-yl)quinolin-4-yl]cyclopropyl}benzamide, Papain-like protease, ZINC ION, ... | | 著者 | Mashalidis, E.H, Chang, J.S, Wu, H, Garnsey, M. | | 登録日 | 2024-07-24 | | 公開日 | 2024-10-02 | | 実験手法 | X-RAY DIFFRACTION (2.595 Å) | | 主引用文献 | Discovery of SARS-CoV-2 papain-like protease (PL pro ) inhibitors with efficacy in a murine infection model.
Sci Adv, 10, 2024
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9CUW
 | | Crystal Structure of SETDB1 Tudor domain in complex with UNC100013 | | 分子名称: | (2E)-4-(dimethylamino)-N-(4-{[6-(dimethylamino)hexyl]amino}-2-{[5-(dimethylamino)pentyl]amino}quinazolin-6-yl)but-2-enamide, 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SETDB1, ... | | 著者 | Silva, M, Dong, A, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | 登録日 | 2024-07-26 | | 公開日 | 2024-10-02 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | Crystal Structure of SETDB1 Tudor domain in complex with UNC100013
To be published
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