6WTO
 
 | | Human JAK2 JH1 domain in complex with Baricitinib | | 分子名称: | 1,2-ETHANEDIOL, Baricitinib, Tyrosine-protein kinase JAK2 | | 著者 | Yu, S, Nithianantham, S, Fischer, M. | | 登録日 | 2020-05-03 | | 公開日 | 2021-05-05 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | Degradation of Janus kinases in CRLF2-rearranged acute lymphoblastic leukemia.
Blood, 138, 2021
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4ZN2
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8K14
 | | X-ray crystal structure of 18a in BRD4(1) | | 分子名称: | 4-[8-methoxy-2-methyl-1-(1-phenylethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole, Bromodomain-containing protein 4 | | 著者 | Xu, H, Shen, H, Zhang, Y, Xu, Y, Li, R. | | 登録日 | 2023-07-10 | | 公開日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | | 主引用文献 | Discovery of (R)-4-(8-methoxy-2-methyl-1-(1-phenylethy)-1H-imidazo[4,5-c]quinnolin-7-yl)-3,5-dimethylisoxazole as a potent and selective BET inhibitor for treatment of acute myeloid leukemia (AML) guided by FEP calculation.
Eur.J.Med.Chem., 263, 2024
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7V63
 | | Structure of dimeric uPAR at low pH | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Urokinase plasminogen activator surface receptor | | 著者 | Yuan, C, Huang, M. | | 登録日 | 2021-08-19 | | 公開日 | 2021-12-22 | | 最終更新日 | 2022-04-06 | | 実験手法 | X-RAY DIFFRACTION (2.906 Å) | | 主引用文献 | Crystal structure and cellular functions of uPAR dimer
Nat Commun, 13, 2022
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7E17
 | | Structure of dimeric uPAR | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Urokinase plasminogen activator surface receptor | | 著者 | Cai, Y, Huang, M. | | 登録日 | 2021-02-01 | | 公開日 | 2021-12-22 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.96 Å) | | 主引用文献 | Crystal structure and cellular functions of uPAR dimer
Nat Commun, 13, 2022
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1H4A
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6UEL
 | | CPS1 bound to allosteric inhibitor H3B-193 | | 分子名称: | Carbamoyl-phosphate synthase [ammonia], mitochondrial, N~1~-[(4-fluorophenyl)methyl]-N~1~-methyl-N~4~-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide, ... | | 著者 | Larsen, N.A, Nguyen, T.V. | | 登録日 | 2019-09-21 | | 公開日 | 2020-03-18 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Small Molecule Inhibition of CPS1 Activity through an Allosteric Pocket.
Cell Chem Biol, 27, 2020
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6W2J
 | | CPS1 bound to allosteric inhibitor H3B-374 | | 分子名称: | (2-fluoranyl-4-methoxy-phenyl)-[(3~{R},5~{R})-4-(2-fluoranyl-4-methoxy-phenyl)carbonyl-3,5-dimethyl-piperazin-1-yl]methanone, 1,2-ETHANEDIOL, Carbamoyl-phosphate synthase [ammonia], ... | | 著者 | Larsen, N.A, Nguyen, T.V. | | 登録日 | 2020-03-05 | | 公開日 | 2021-01-13 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | | 主引用文献 | Discovery of 2,6-Dimethylpiperazines as Allosteric Inhibitors of CPS1.
Acs Med.Chem.Lett., 11, 2020
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7P6T
 | | Crystal structure of the FimH-binding decoy module of human glycoprotein 2 (GP2) (crystal form III) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-ethyl-2-(hydroxymethyl)propane-1,3-diol, Isoform Alpha of Pancreatic secretory granule membrane major glycoprotein GP2 | | 著者 | Stsiapanava, A, Tunyasuvunakool, K, Jumper, J, de Sanctis, D, Jovine, L. | | 登録日 | 2021-07-17 | | 公開日 | 2022-03-16 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH.
Nat.Struct.Mol.Biol., 29, 2022
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7P6R
 | | Crystal structure of the FimH-binding decoy module of human glycoprotein 2 (GP2) (crystal form I) | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform Alpha of Pancreatic secretory granule membrane major glycoprotein GP2 | | 著者 | Stsiapanava, A, Tunyasuvunakool, K, Jumper, J, de Sanctis, D, Jovine, L. | | 登録日 | 2021-07-17 | | 公開日 | 2022-03-16 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH.
Nat.Struct.Mol.Biol., 29, 2022
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7P6S
 | | Crystal structure of the FimH-binding decoy module of human glycoprotein 2 (GP2) (crystal form II) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform Alpha of Pancreatic secretory granule membrane major glycoprotein GP2, pentane-1,5-diol | | 著者 | Stsiapanava, A, Tunyasuvunakool, K, Jumper, J, de Sanctis, D, Jovine, L. | | 登録日 | 2021-07-17 | | 公開日 | 2022-03-16 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH.
Nat.Struct.Mol.Biol., 29, 2022
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1HK0
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2CCD
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2CCA
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8CA0
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5TRF
 | | MDM2 in complex with SAR405838 | | 分子名称: | (2'S,3R,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-N-(trans-4-hydroxycyclohexyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide, E3 ubiquitin-protein ligase Mdm2, GLYCEROL, ... | | 著者 | Meagher, J.L, Stuckey, J.A. | | 登録日 | 2016-10-26 | | 公開日 | 2016-11-09 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | SAR405838: an optimized inhibitor of MDM2-p53 interaction that induces complete and durable tumor regression.
Cancer Res., 74, 2014
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5IEI
 | | X-ray crystallographic structure of a high affinity IGF2 antagonist (Domain11 AB5 RHH) based on human IGF2R domain 11 | | 分子名称: | 1,2-ETHANEDIOL, Cation-independent mannose-6-phosphate receptor, GLYCEROL, ... | | 著者 | Nicholls, R.D, Williams, C, Strickland, M, Frago, S, Hassan, A.B, Crump, M.P. | | 登録日 | 2016-02-25 | | 公開日 | 2016-05-18 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Functional evolution of IGF2:IGF2R domain 11 binding generates novel structural interactions and a specific IGF2 antagonist.
Proc.Natl.Acad.Sci.USA, 113, 2016
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8K8T
 | | Structure of CUL3-RBX1-KLHL22 complex | | 分子名称: | Cullin-3, Kelch-like protein 22 | | 著者 | Wang, W, Ling, L, Dai, Z, Zuo, P, Yin, Y. | | 登録日 | 2023-07-31 | | 公開日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | A conserved N-terminal motif of CUL3 contributes to assembly and E3 ligase activity of CRL3 KLHL22.
Nat Commun, 15, 2024
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8EQ6
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2M6T
 | | NMR solution structure ensemble of 3-4D mutant domain 11 IGF2R | | 分子名称: | Insulin-like growth factor 2 receptor variant | | 著者 | Strickland, M, Williams, C, Richards, E, Minnall, L, Crump, M.P, Frago, S, Hughes, J, Garner, L, Hoppe, H, Rezgui, D, Zaccheo, O.J, Prince, S.N, Hassan, A.B, Whittaker, S. | | 登録日 | 2013-04-09 | | 公開日 | 2014-10-15 | | 最終更新日 | 2016-06-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Functional evolution of IGF2:IGF2R domain 11 binding generates novel structural interactions and a specific IGF2 antagonist.
Proc.Natl.Acad.Sci.USA, 113, 2016
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2M68
 | | NMR solution structure ensemble of 3-4D mutant domain 11 IGF2R in complex with IGF2 (domain 11 structure only) | | 分子名称: | Insulin-like growth factor 2 receptor variant | | 著者 | Strickland, M, Williams, C, Richards, E, Minnall, L, Crump, M.P, Frago, S, Hughes, J, Garner, L, Hoppe, H, Rezgui, D, Zaccheo, O.J, Prince, S.N, Hassan, A.B, Whittaker, S. | | 登録日 | 2013-03-27 | | 公開日 | 2014-10-15 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Functional evolution of IGF2:IGF2R domain 11 binding generates novel structural interactions and a specific IGF2 antagonist.
Proc.Natl.Acad.Sci.USA, 113, 2016
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6M63
 | | Crystal structure of a cAMP sensor G-Flamp1. | | 分子名称: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Chimera of Cyclic nucleotide-gated potassium channel mll3241 and Yellow fluorescent protein | | 著者 | Zhou, Z, Chen, S, Wang, L, Chu, J. | | 登録日 | 2020-03-12 | | 公開日 | 2021-09-22 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | A high-performance genetically encoded fluorescent indicator for in vivo cAMP imaging.
Nat Commun, 13, 2022
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6LMJ
 | | ASFV pA104R in complex with double-strand DNA | | 分子名称: | A104R, DNA (5'-D(*TP*GP*CP*TP*TP*AP*TP*CP*AP*AP*TP*TP*TP*GP*TP*TP*GP*CP*A)-3') | | 著者 | Wang, H, Qi, J, Chai, Y, Gao, F, Liu, R. | | 登録日 | 2019-12-25 | | 公開日 | 2020-05-13 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | The structural basis of African swine fever virus pA104R binding to DNA and its inhibition by stilbene derivatives.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6LMH
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8CZF
 | | Human BAK in complex with the dF2 peptide | | 分子名称: | Bcl-2 homologous antagonist/killer, DF2 peptide | | 著者 | Aguilar, F, Keating, A.E. | | 登録日 | 2022-05-24 | | 公開日 | 2023-01-11 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Peptides from human BNIP5 and PXT1 and non-native binders of pro-apoptotic BAK can directly activate or inhibit BAK-mediated membrane permeabilization.
Structure, 31, 2023
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