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8WCA
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Cryo-EM structure of the PEA-bound hTAAR1-Gs complex
分子名称: 2-PHENYLETHYLAMINE, 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Rong, N.K, Guo, L.L, Zhang, M.H, Li, Q, Yang, F, Sun, J.P.
登録日2023-09-11
公開日2023-12-27
実験手法ELECTRON MICROSCOPY (3.48 Å)
主引用文献Structural and signaling mechanisms of TAAR1 enabled preferential agonist design.
Cell, 186, 2023
8WC4
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Cryo-EM structure of the ZH8651-bound mTAAR1-Gs complex
分子名称: 2-(4-bromophenyl)ethanamine, 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Rong, N.K, Guo, L.L, Zhang, M.H, Li, Q, Yang, F, Sun, J.P.
登録日2023-09-11
公開日2023-12-27
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural and signaling mechanisms of TAAR1 enabled preferential agonist design.
Cell, 186, 2023
8WC9
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BU of 8wc9 by Molmil
Cryo-EM structure of the ZH8651-bound mTAAR1-Gq complex
分子名称: 2-(4-bromophenyl)ethanamine, Engineered G-alpha-q subunit, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Rong, N.K, Guo, L.L, Zhang, M.H, Li, Q, Yang, F, Sun, J.P.
登録日2023-09-11
公開日2023-12-27
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural and signaling mechanisms of TAAR1 enabled preferential agonist design.
Cell, 186, 2023
8WCB
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BU of 8wcb by Molmil
Cryo-EM structure of the CHA-bound mTAAR1-Gq complex
分子名称: CYCLOHEXYLAMMONIUM ION, Engineered G-alpha-q subunit, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Rong, N.K, Guo, L.L, Zhang, M.H, Li, Q, Yang, F, Sun, J.P.
登録日2023-09-11
公開日2023-12-27
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural and signaling mechanisms of TAAR1 enabled preferential agonist design.
Cell, 186, 2023
8WC5
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BU of 8wc5 by Molmil
Cryo-EM structure of the TMA-bound mTAAR1-Gs complex
分子名称: 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, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
著者Rong, N.K, Guo, L.L, Zhang, M.H, Li, Q, Yang, F, Sun, J.P.
登録日2023-09-11
公開日2023-12-27
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural and signaling mechanisms of TAAR1 enabled preferential agonist design.
Cell, 186, 2023
8WC8
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BU of 8wc8 by Molmil
Cryo-EM structure of the ZH8651-bound hTAAR1-Gs complex
分子名称: 2-(4-bromophenyl)ethanamine, 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Rong, N.K, Guo, L.L, Zhang, M.H, Li, Q, Yang, F, Sun, J.P.
登録日2023-09-11
公開日2023-12-27
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural and signaling mechanisms of TAAR1 enabled preferential agonist design.
Cell, 186, 2023
8WC6
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BU of 8wc6 by Molmil
Cryo-EM structure of the PEA-bound mTAAR1-Gs complex
分子名称: 2-PHENYLETHYLAMINE, 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Rong, N.K, Guo, L.L, Zhang, M.H, Li, Q, Yang, F, Sun, J.P.
登録日2023-09-11
公開日2023-12-27
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural and signaling mechanisms of TAAR1 enabled preferential agonist design.
Cell, 186, 2023
8WCC
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BU of 8wcc by Molmil
Cryo-EM structure of the CHA-bound mTAAR1 complex
分子名称: CYCLOHEXYLAMMONIUM ION, Trace amine-associated receptor 1
著者Rong, N.K, Guo, L.L, Zhang, M.H, Li, Q, Yang, F, Sun, J.P.
登録日2023-09-11
公開日2023-12-27
実験手法ELECTRON MICROSCOPY (3.04 Å)
主引用文献Structural and signaling mechanisms of TAAR1 enabled preferential agonist design.
Cell, 186, 2023
4QAH
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BU of 4qah by Molmil
The second sphere residue T263 is important for function and activity of PTP1B through modulating WPD loop
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
著者Xiao, P, Wang, X, Wang, H.M, Fu, X.L, Cui, F.A, Bi, W.X.
登録日2014-05-05
公開日2014-12-24
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.403 Å)
主引用文献The second-sphere residue T263 is important for the function and catalytic activity of PTP1B via interaction with the WPD-loop
Int.J.Biochem.Cell Biol., 57C, 2014
8C13
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BU of 8c13 by Molmil
Crystal structure of pVHL:ElonginC:ElonginB complex bound to PROTAC JW48
分子名称: (2~{S},4~{R})-1-[(2~{S})-2-[3-[2-[2-[2-(acetamidomethyl)-4-(6,7-dihydro-5~{H}-pyrrolo[1,2-a]imidazol-2-yl)phenoxy]ethoxy]ethoxy]propanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
著者Kraemer, A, Weckesser, J, Knapp, S, Structural Genomics Consortium (SGC)
登録日2022-12-20
公開日2022-12-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Tracking the PROTAC degradation pathway in living cells highlights the importance of ternary complex measurement for PROTAC optimization.
Cell Chem Biol, 30, 2023
4RP9
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BU of 4rp9 by Molmil
Bacterial vitamin C transporter UlaA/SgaT in C2 form
分子名称: ASCORBIC ACID, Ascorbate-specific permease IIC component UlaA, PENTAETHYLENE GLYCOL, ...
著者Wang, J.W.
登録日2014-10-29
公開日2015-03-04
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.651 Å)
主引用文献Crystal structure of a phosphorylation-coupled vitamin C transporter.
Nat.Struct.Mol.Biol., 22, 2015
8E1G
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BU of 8e1g by Molmil
SARS-CoV-2 RBD in complex with Omicron-neutralizing antibody 2A10
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2A10 Fab, heavy chain, ...
著者Wasserman, H, Hastie, K.M, Buck, T.K, Saphire, E.O.
登録日2022-08-10
公開日2023-06-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Potent Omicron-neutralizing antibodies isolated from a patient vaccinated 6 months before Omicron emergence.
Cell Rep, 42, 2023
4RP8
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BU of 4rp8 by Molmil
Bacterial vitamin C transporter UlaA/SgaT in P21 form
分子名称: ASCORBIC ACID, Ascorbate-specific permease IIC component UlaA, nonyl beta-D-glucopyranoside
著者Wang, J.W.
登録日2014-10-29
公開日2015-03-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.359 Å)
主引用文献Crystal structure of a phosphorylation-coupled vitamin C transporter.
Nat.Struct.Mol.Biol., 22, 2015
5ZQY
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BU of 5zqy by Molmil
Crystal structure of a poly(ADP-ribose) glycohydrolase
分子名称: MAGNESIUM ION, Poly(ADP-ribose) glycohydrolase ARH3, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
著者Wang, M, Yuan, Z, Ma, Y, Wang, J, Liu, X.
登録日2018-04-20
公開日2018-08-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.577 Å)
主引用文献Structure-function analyses reveal the mechanism of the ARH3-dependent hydrolysis of ADP-ribosylation.
J. Biol. Chem., 293, 2018
3G0E
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BU of 3g0e by Molmil
KIT kinase domain in complex with sunitinib
分子名称: Mast/stem cell growth factor receptor, N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide
著者Gajiwala, K.S, Wu, J.C, Lunney, E.A, Gemetri, G.D.
登録日2009-01-27
公開日2009-02-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献KIT kinase mutants show unique mechanisms of drug resistance to imatinib and sunitinib in gastrointestinal stromal tumor patients.
Proc.Natl.Acad.Sci.USA, 106, 2009
3FRZ
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BU of 3frz by Molmil
Crystal Structure of HCV NS5B RNA polymerase in complex with PF868554
分子名称: (6R)-6-cyclopentyl-6-[2-(2,6-diethylpyridin-4-yl)ethyl]-3-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-5,6-dihydro-2H-pyran-2-one, BETA-MERCAPTOETHANOL, N-[(benzyloxy)carbonyl]-L-alpha-glutamyl-N-[(1S)-4-oxo-4-phenyl-1-propylbut-2-en-1-yl]-L-phenylalaninamide, ...
著者Parge, H.E.
登録日2009-01-08
公開日2009-03-10
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Discovery of (R)-6-cyclopentyl-6-(2-(2,6-diethylpyridin-4-yl)ethyl)-3-((5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl)-4-hydroxy-5,6-dihydropyran-2-one (PF-00868554) as a potent and orally available hepatitis C virus polymerase inhibitor.
J.Med.Chem., 52, 2009
6MS7
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BU of 6ms7 by Molmil
Peroxisome proliferator-activated receptor gamma ligand binding domain in complex with a novel selective PPAR-gamma modulator VSP-77
分子名称: PGC1 LXXLL motif, Peroxisome proliferator-activated receptor gamma, {[(1S)-1-(4-chlorophenyl)octyl]oxy}acetic acid
著者Yi, W, Jiang, H, Zhou, X.E, Shi, J, Zhao, G, Zhang, X, Sun, Y, Suino-Powell, K, Li, J, Li, J, Melcher, K, Xu, H.E.
登録日2018-10-16
公開日2019-10-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Identification and structural insight of an effective PPAR gamma modulator with improved therapeutic index for anti-diabetic drug discovery.
Chem Sci, 11, 2020
3G0F
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BU of 3g0f by Molmil
KIT kinase domain mutant D816H in complex with sunitinib
分子名称: Mast/stem cell growth factor receptor, N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide, SULFATE ION
著者Gajiwala, K.S, Wu, J.C, Lunney, E.A, Demetri, G.D.
登録日2009-01-27
公開日2009-02-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献KIT kinase mutants show unique mechanisms of drug resistance to imatinib and sunitinib in gastrointestinal stromal tumor patients.
Proc.Natl.Acad.Sci.USA, 106, 2009
6LDL
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BU of 6ldl by Molmil
Crystal structure of CYP116B46-N(20-445) from Tepidiphilus thermophilus in complex with HEME
分子名称: BICINE, Cytochrome P450, GLYCEROL, ...
著者Zhang, L.L, Xie, Z.Z, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2019-11-21
公開日2020-10-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Structural insight into the electron transfer pathway of a self-sufficient P450 monooxygenase.
Nat Commun, 11, 2020
5ZT1
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BU of 5zt1 by Molmil
Structure of the bacterial pathogens ATPase with substrate ATP gamma S
分子名称: MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Probable ATP synthase SpaL/MxiB, ...
著者Gao, X.P, Mu, Z.X, Cui, S.
登録日2018-05-01
公開日2018-05-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.114 Å)
主引用文献Structural Insight Into Conformational Changes Induced by ATP Binding in a Type III Secretion-Associated ATPase FromShigella flexneri
Front Microbiol, 9, 2018
6IMK
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BU of 6imk by Molmil
The crystal structure of AsfvLIG:CG complex
分子名称: DNA (5'-D(*CP*CP*AP*GP*TP*CP*CP*GP*AP*CP*CP*CP*GP*CP*AP*TP*CP*CP*CP*GP*GP*A)-3'), DNA (5'-D(*TP*CP*CP*GP*GP*GP*AP*TP*GP*CP*GP*G)-3'), DNA (5'-D(P*GP*TP*CP*GP*GP*AP*CP*TP*GP*G)-3'), ...
著者Chen, Y.Q, Gan, J.H.
登録日2018-10-23
公開日2019-02-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.502 Å)
主引用文献Structure of the error-prone DNA ligase of African swine fever virus identifies critical active site residues.
Nat Commun, 10, 2019
6IMN
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BU of 6imn by Molmil
The crystal structure of AsfvLIG:CT2 complex
分子名称: CHLORIDE ION, DNA (5'-D(*CP*CP*AP*GP*TP*CP*CP*GP*AP*CP*CP*CP*GP*CP*AP*TP*CP*CP*CP*GP*GP*A)-3'), DNA (5'-D(*TP*CP*CP*GP*GP*GP*AP*TP*GP*CP*GP*TP*GP*TP*CP*GP*GP*AP*CP*TP*GP*G)-3'), ...
著者Chen, Y.Q, Gan, J.H.
登録日2018-10-23
公開日2019-02-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of the error-prone DNA ligase of African swine fever virus identifies critical active site residues.
Nat Commun, 10, 2019
6IML
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BU of 6iml by Molmil
The crystal structure of AsfvLIG:CT1 complex
分子名称: DNA (5'-D(*CP*CP*AP*GP*TP*CP*CP*GP*AP*CP*CP*CP*GP*CP*AP*TP*CP*CP*CP*GP*GP*A)-3'), DNA (5'-D(*TP*CP*CP*GP*GP*GP*AP*TP*GP*CP*GP*T)-3'), DNA (5'-D(P*GP*TP*CP*GP*GP*AP*CP*TP*GP*G)-3'), ...
著者Chen, Y.Q, Gan, J.H.
登録日2018-10-23
公開日2019-02-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure of the error-prone DNA ligase of African swine fever virus identifies critical active site residues.
Nat Commun, 10, 2019
6IMJ
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The crystal structure of Se-AsfvLIG:DNA complex
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CADMIUM ION, CHLORIDE ION, ...
著者Chen, Y.Q, Gan, J.H.
登録日2018-10-23
公開日2019-02-27
実験手法X-RAY DIFFRACTION (2.554 Å)
主引用文献Structure of the error-prone DNA ligase of African swine fever virus identifies critical active site residues.
Nat Commun, 10, 2019
2I2S
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BU of 2i2s by Molmil
Crystal Structure of the porcine CRW-8 rotavirus VP8* carbohydrate-recognising domain
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-O-methyl-5-N-acetyl-alpha-D-neuraminic acid, GLYCEROL, ...
著者Blanchard, H.
登録日2006-08-16
公開日2007-04-03
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Insight into Host Cell Carbohydrate-recognition by Human and Porcine Rotavirus from Crystal Structures of the Virion Spike Associated Carbohydrate-binding Domain (VP8*)
J.Mol.Biol., 367, 2007

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