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7CKH
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Crystal structure of TMSiPheRS
分子名称: Tyrosine--tRNA ligase
著者Sun, J.P, Wang, J.Y, Zhu, Z.L, He, Q.T, Xiao, P.
登録日2020-07-17
公開日2021-03-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.79492676 Å)
主引用文献DeSiphering receptor core-induced and ligand-dependent conformational changes in arrestin via genetic encoded trimethylsilyl 1 H-NMR probe.
Nat Commun, 11, 2020
6U25
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BU of 6u25 by Molmil
CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS- RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH A TRICYCLIC INVERSE AGONIST
分子名称: GLYCEROL, NUCLEAR RECEPTOR COACTIVATOR 1 CHIMERA, trans-4-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid
著者Sack, J.
登録日2019-08-19
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Rationally Designed, Conformationally Constrained Inverse Agonists of ROR gamma t-Identification of a Potent, Selective Series with Biologic-Like in Vivo Efficacy.
J.Med.Chem., 62, 2019
6VQF
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CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244- 487)-L6-SRC1(678-692)) IN COMPLEX WITH AN INVERSE AGONIST
分子名称: (1R,3S,4R)-4-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]-3-methylcyclohexane-1-carboxylic acid, GLYCEROL, Nuclear receptor ROR-gamma
著者Sack, J.S.
登録日2020-02-05
公開日2020-04-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of BMS-986251: A Clinically Viable, Potent, and Selective ROR gamma t Inverse Agonist.
Acs Med.Chem.Lett., 11, 2020
7RAX
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BU of 7rax by Molmil
ATP-binding state of the nucleotide-binding domain of Hsp70 DnaK mutant T199A
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Chaperone protein DnaK, GLYCEROL, ...
著者Wang, W, Hendrickson, W.A.
登録日2021-07-04
公開日2023-07-05
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Conformational equilibria in allosteric control of Hsp70 chaperones.
Mol.Cell, 81, 2021
9INR
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BU of 9inr by Molmil
Crystal structure of PIN1 in complex with inhibitor C3
分子名称: 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, SULFATE ION, ...
著者Zhang, L.Y.
登録日2024-07-08
公開日2024-09-25
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Re-Evaluating PIN1 as a Therapeutic Target in Oncology Using Neutral Inhibitors and PROTACs.
J.Med.Chem., 67, 2024
7BZF
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BU of 7bzf by Molmil
COVID-19 RNA-dependent RNA polymerase post-translocated catalytic complex
分子名称: Non-structural protein 7, Non-structural protein 8, RNA (31-MER), ...
著者Wang, Q, Gao, Y, Ji, W, Mu, A, Rao, Z.
登録日2020-04-27
公開日2020-06-03
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.26 Å)
主引用文献Structural Basis for RNA Replication by the SARS-CoV-2 Polymerase.
Cell, 182, 2020
5T18
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Crystal structure of Bruton agammabulinemia tyrosine kinase complexed with BMS-986142 aka (2s)-6-fluoro-5-[3-(8-fluoro-1-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-2-methylphenyl]-2-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1h-carbazole-8-carboxamide
分子名称: 6-Fluoro-5-(R)-(3-(S)-(8-fluoro-1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-2-methylphenyl)-2-(S)-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide, Tyrosine-protein kinase BTK
著者Muckelbauer, J.K.
登録日2016-08-18
公開日2017-03-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of 6-Fluoro-5-(R)-(3-(S)-(8-fluoro-1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-2-methylphenyl)-2-(S)-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide (BMS-986142): A Reversible Inhibitor of Bruton's Tyrosine Kinase (BTK) Conformationally Constrained by Two Locked Atropisomers.
J. Med. Chem., 59, 2016
3FE5
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Crystal structure of 3-hydroxyanthranilate 3,4-dioxygenase from bovine kidney
分子名称: 3-hydroxyanthranilate 3,4-dioxygenase, FE (III) ION
著者Dilovic, I, Gliubich, F, Malpeli, G, Zanotti, G, Matkovic-Calogovic, D.
登録日2008-11-27
公開日2009-06-09
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Crystal structure of bovine 3-hydroxyanthranilate 3,4-dioxygenase.
Biopolymers, 2009
5J87
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BU of 5j87 by Molmil
Discovery of N-(3-(5-((3-acrylamido-4-(morpholine-4-carbonyl)phenyl)amino)-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-methylphenyl)-4-(tert-butyl)benzamide (CHMFL-BTK-01) as a Highly Selective Irreversible BTK Kinase Inhibitor
分子名称: N-[3-(5-{[3-(acryloylamino)-4-(morpholine-4-carbonyl)phenyl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-methylphenyl]-4-tert-butylbenzamide, Tyrosine-protein kinase BTK
著者Yun, C.H, Zhang, S.
登録日2016-04-07
公開日2017-04-19
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Discovery of N-(3-(5-((3-acrylamido-4-(morpholine-4-carbonyl)phenyl)amino)-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-methylphenyl)-4-(tert-butyl)benzamide (CHMFL-BTK-01) as a highly selective irreversible Bruton's tyrosine kinase (BTK) inhibitor.
Eur J Med Chem, 131, 2017
5WYH
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BU of 5wyh by Molmil
Crystal structure of RidL(1-200) complexed with VPS29
分子名称: GLYCEROL, Interaptin, Vacuolar protein sorting-associated protein 29
著者Yao, J, Sun, Q, Jia, D.
登録日2017-01-13
公開日2018-01-24
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Mechanism of inhibition of retromer transport by the bacterial effector RidL.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6V2F
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BU of 6v2f by Molmil
Crystal structure of the HIV capsid hexamer bound to the small molecule long-acting inhibitor, GS-6207
分子名称: HIV-1 capsid, N-[(1S)-1-(3-{4-chloro-3-[(methylsulfonyl)amino]-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl}-6-[3-methyl-3-(methylsulfonyl)but-1-yn-1-yl]pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[(3bS,4aR)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide
著者Appleby, T.C, Link, J.O, Yant, S.R, Villasenor, A.G, Somoza, J.R, Hu, E.Y, Schroeder, S.D, Cihlar, T.
登録日2019-11-22
公開日2020-07-01
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Clinical targeting of HIV capsid protein with a long-acting small molecule.
Nature, 584, 2020
8JGF
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BU of 8jgf by Molmil
CryoEM structure of Gq-coupled MRGPRX1 with peptide agonist BAM8-22
分子名称: BAM8-22, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Sun, J.P, Xu, H.E, Yang, F, Liu, Z.M, Guo, L.L, Zhang, Y.M, Fang, G.X, Tie, L, Zhuang, Y.M, Xue, C.Y.
登録日2023-05-20
公開日2024-01-10
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Ligand recognition and G protein coupling of the human itch receptor MRGPRX1.
Nat Commun, 14, 2023
8JGG
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CryoEM structure of Gi-coupled MRGPRX1 with peptide agonist BAM8-22
分子名称: BAM8-22, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Sun, J.P, Xu, H.E, Ynag, F, Liu, Z.M, Guo, L.L, Zhang, Y.M, Fang, G.X, Tie, L, Zhuang, Y.M, Xue, C.Y.
登録日2023-05-20
公開日2024-01-10
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Ligand recognition and G protein coupling of the human itch receptor MRGPRX1.
Nat Commun, 14, 2023
8JGB
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CryoEM structure of Gi-coupled MRGPRX1 with peptide agonist CNF-Tx2
分子名称: Conorfamide-Tx2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Sun, J.P, Xu, H.E, Yang, F, Liu, Z.M, Guo, L.L, Zhang, Y.M, Fang, G.X, Tie, L, Zhuang, Y.M, Xue, C.Y.
登録日2023-05-20
公開日2024-01-10
実験手法ELECTRON MICROSCOPY (2.84 Å)
主引用文献Ligand recognition and G protein coupling of the human itch receptor MRGPRX1.
Nat Commun, 14, 2023
3LQR
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BU of 3lqr by Molmil
Structure of CED-4:CED-3 complex
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Cell death protein 4, MAGNESIUM ION
著者Qi, S, Pang, Y, Shi, Y, Yan, N.
登録日2010-02-09
公開日2010-04-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.896 Å)
主引用文献Crystal structure of the Caenorhabditis elegans apoptosome reveals an octameric assembly of CED-4.
Cell(Cambridge,Mass.), 141, 2010
6THP
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Neprilysin in complex with the inhibitor (R)-4-(1-carboxy-3-(3'-chlorobiphenyl-4-yl)propan-2-ylamino)-4-oxobutanoic acid
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[[(2~{R})-1-[4-(3-chlorophenyl)phenyl]-4-oxidanyl-4-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid, Neprilysin, ...
著者Schiering, N, Wiesmann, C.
登録日2019-11-21
公開日2020-02-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Structure-Guided Design of Substituted Biphenyl Butanoic Acid Derivatives as Neprilysin Inhibitors.
Acs Med.Chem.Lett., 11, 2020
4WD5
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BU of 4wd5 by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with QL-X138
分子名称: CHLORIDE ION, Epidermal growth factor receptor, N-{2-methyl-5-[2-oxo-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1(2H)-yl]phenyl}propanamide
著者Yun, C.H, Eck, M.J.
登録日2014-09-07
公開日2016-05-04
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Crystal structure of EGFR 696-1022 T790M in complex with QL-X138
To Be Published
7N46
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BU of 7n46 by Molmil
ADP-binding state of the nucleotide-binding domain of Hsp70 DnaK
分子名称: ADENOSINE-5'-DIPHOSPHATE, Chaperone protein DnaK, MAGNESIUM ION, ...
著者Wang, W, Hendrickson, W.A.
登録日2021-06-03
公開日2023-07-05
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Conformational equilibria in allosteric control of Hsp70 chaperones.
Mol.Cell, 81, 2021
3H42
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Crystal structure of PCSK9 in complex with Fab from LDLR competitive antibody
分子名称: Fab from LDLR competitive antibody: Heavy chain, Fab from LDLR competitive antibody: Light chain, Proprotein convertase subtilisin/kexin type 9, ...
著者Piper, D.E, Walker, N.P.C, Romanow, W.G, Thibault, S.T, Tsai, M.M, Yang, E.
登録日2009-04-17
公開日2009-05-05
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献From the Cover: A proprotein convertase subtilisin/kexin type 9 neutralizing antibody reduces serum cholesterol in mice and nonhuman primates.
Proc.Natl.Acad.Sci.USA, 106, 2009
5HU9
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Crystal structure of ABL1 in complex with CHMFL-074
分子名称: 1,2-ETHANEDIOL, 4-[(4-methylpiperazin-1-yl)methyl]-N-(4-methyl-3-{[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]oxy}phenyl)-3-(trifluoromethyl)benzamide, CHLORIDE ION, ...
著者Kong, L.L, Yun, C.H.
登録日2016-01-27
公開日2016-07-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.529 Å)
主引用文献Discovery and characterization of a novel potent type II native and mutant BCR-ABL inhibitor (CHMFL-074) for Chronic Myeloid Leukemia (CML)
Oncotarget, 7, 2016
1XX5
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BU of 1xx5 by Molmil
Crystal Structure of Natrin from Naja atra snake venom
分子名称: ETHANOL, Natrin 1
著者Wang, J, Shen, B, Lou, X.H, Guo, M, Teng, M.K, Niu, L.W.
登録日2004-11-04
公開日2005-06-14
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Blocking effect and crystal structure of natrin toxin, a cysteine-rich secretory protein from Naja atra venom that targets the BKCa channel
Biochemistry, 44, 2005
8J4A
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BU of 8j4a by Molmil
Crystal structure of OY phytoplasma SAP05 in complex with AtRPN10
分子名称: 26S proteasome non-ATPase regulatory subunit 4 homolog, Sequence-variable mosaic (SVM) signal sequence domain-containing protein
著者Dong, C, Yan, X, Yuan, X.
登録日2023-04-19
公開日2024-02-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Molecular basis of SAP05-mediated ubiquitin-independent proteasomal degradation of transcription factors.
Nat Commun, 15, 2024
8J49
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Crystal structure of OY phytoplasma SAP05 in complex with AtSPL5
分子名称: Sequence-variable mosaic (SVM) signal sequence domain-containing protein, Squamosa promoter-binding-like protein 5, ZINC ION
著者Dong, C, Yan, X, Yuan, X.
登録日2023-04-19
公開日2024-02-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Molecular basis of SAP05-mediated ubiquitin-independent proteasomal degradation of transcription factors.
Nat Commun, 15, 2024
8J48
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Crystal structure of OY phytoplasma SAP05 in complex with AtGATA18
分子名称: GATA transcription factor 18, Sequence-variable mosaic (SVM) signal sequence domain-containing protein, ZINC ION
著者Dong, C, Yan, X, Yuan, X.
登録日2023-04-19
公開日2024-02-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Molecular basis of SAP05-mediated ubiquitin-independent proteasomal degradation of transcription factors.
Nat Commun, 15, 2024
8J4B
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Crystal structure of OY phytoplasma SAP05 in complex with AtSPL13
分子名称: Sequence-variable mosaic (SVM) signal sequence domain-containing protein, Squamosa promoter-binding-like protein 13A, ZINC ION
著者Dong, C, Yan, X, Yuan, X.
登録日2023-04-19
公開日2024-02-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular basis of SAP05-mediated ubiquitin-independent proteasomal degradation of transcription factors.
Nat Commun, 15, 2024

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