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4OK3
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Crystal Structure of Hepatitis C Virus NS3 Helicase Inhibitor Co-complex with Compound 7 [[1-(3-chlorobenzyl)-1H-indol-3-yl]acetic acid]
分子名称: CALCIUM ION, Serine protease NS3, [1-(3-chlorobenzyl)-1H-indol-3-yl]acetic acid
著者Padyana, A.K.
登録日2014-01-21
公開日2014-03-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Integrated strategies for identifying leads that target the NS3 helicase of the hepatitis C virus.
J.Med.Chem., 57, 2014
4OK6
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BU of 4ok6 by Molmil
Crystal Structure of Hepatitis C Virus NS3 Helicase Inhibitor Co-complex with Compound 13 [[1-(2-methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid]
分子名称: CALCIUM ION, Serine protease NS3, [1-(2-methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid
著者Padyana, A.K.
登録日2014-01-21
公開日2014-03-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Integrated strategies for identifying leads that target the NS3 helicase of the hepatitis C virus.
J.Med.Chem., 57, 2014
4OK5
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Crystal Structure of Hepatitis C Virus NS3 Helicase Inhibitor Co-complex with Compound 9 [1-(3-ethynylbenzyl)-1H-indol-3-yl]acetic acid]
分子名称: CALCIUM ION, Serine protease NS3, [1-(3-ethynylbenzyl)-1H-indol-3-yl]acetic acid
著者Padyana, A.K.
登録日2014-01-21
公開日2014-03-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Integrated strategies for identifying leads that target the NS3 helicase of the hepatitis C virus.
J.Med.Chem., 57, 2014
4OJQ
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BU of 4ojq by Molmil
Crystal Structure of Hepatitis C Virus NS3 Helicase Inhibitor Co-complex with Fragment 1 [(5-bromo-1H-indol-3-yl)acetic acid]
分子名称: (5-bromo-1H-indol-3-yl)acetic acid, CALCIUM ION, Serine protease NS3
著者Padyana, A.K.
登録日2014-01-21
公開日2014-03-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Integrated strategies for identifying leads that target the NS3 helicase of the hepatitis C virus.
J.Med.Chem., 57, 2014
4OKS
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BU of 4oks by Molmil
Crystal Structure of Hepatitis C Virus NS3 Helicase Inhibitor Co-complex with Compound 19 [[6-(3,5-diaminophenyl)-1-(2-methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid]
分子名称: CALCIUM ION, Serine protease NS3, [6-(3,5-diaminophenyl)-1-(2-methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid
著者Padyana, A.K.
登録日2014-01-22
公開日2014-03-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Integrated strategies for identifying leads that target the NS3 helicase of the hepatitis C virus.
J.Med.Chem., 57, 2014
2P3U
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Crystal structure of human factor XA complexed with 3-chloro-N-(4-chloro-2-{[(5-chloropyridin-2-yl)amino]carbonyl}-6-methoxyphenyl)-4-[(1-methyl-1H-imidazol-2-yl)methyl]thiophene-2-carboxamide {Pfizer 320663}
分子名称: 3-CHLORO-N-(4-CHLORO-2-{[(5-CHLOROPYRIDIN-2-YL)AMINO]CARBONYL}-6-METHOXYPHENYL)-4-[(1-METHYL-1H-IMIDAZOL-2-YL)METHYL]THIOPHENE-2-CARBOXAMIDE, CALCIUM ION, Coagulation factor X
著者Adler, M, Whitlow, M.
登録日2007-03-09
公開日2007-09-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献

1UMN
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BU of 1umn by Molmil
Crystal structure of Dps-like peroxide resistance protein (Dpr) from Streptococcus suis
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
著者Kauko, A, Haataja, S, Pulliainen, A, Finne, J, Papageorgiou, A.C.
登録日2003-08-26
公開日2004-04-23
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of Streptococcus suis Dps-like peroxide resistance protein Dpr: implications for iron incorporation.
J. Mol. Biol., 338, 2004
7VAB
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Cryo-EM structure of the non-acylated tirzepatide (LY3298176)-bound human GIPR-Gs complex
分子名称: CHOLESTEROL, Gastric inhibitory polypeptide receptor,Gastric inhibitory polypeptide receptor,Gastric inhibitory polypeptide receptor,human glucose-dependent insulinotropic polypeptide receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Zhao, F.H, Zhou, Q.T, Cong, Z.T, Hang, K.N, Zou, X.Y, Zhang, C, Chen, Y, Dai, A.T, Liang, A.Y, Ming, Q.Q, Wang, M, Chen, L.N, Xu, P.Y, Chang, R.L, Feng, W.B, Xia, T, Zhang, Y, Wu, B.L, Yang, D.H, Zhao, L.H, Xu, H.E, Wang, M.W.
登録日2021-08-28
公開日2022-03-02
最終更新日2022-03-16
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural insights into multiplexed pharmacological actions of tirzepatide and peptide 20 at the GIP, GLP-1 or glucagon receptors.
Nat Commun, 13, 2022
7VBI
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Cryo-EM structure of the non-acylated tirzepatide (LY3298176)-bound human GLP-1R-Gs complex
分子名称: Glucagon-like peptide 1 receptor, 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Zhao, F.H, Zhou, Q.T, Cong, Z.T, Hang, K.N, Zou, X.Y, Zhang, C, Chen, Y, Dai, A.T, Liang, A.Y, Ming, Q.Q, Wang, M, Chen, L.N, Xu, P.Y, Chang, R.L, Feng, W.B, Xia, T, Zhang, Y, Wu, B.L, Yang, D.H, Zhao, L.H, Xu, H.E, Wang, M.W.
登録日2021-08-31
公開日2022-03-02
最終更新日2022-03-16
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural insights into multiplexed pharmacological actions of tirzepatide and peptide 20 at the GIP, GLP-1 or glucagon receptors.
Nat Commun, 13, 2022
7VQX
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Cryo-EM structure of human vasoactive intestinal polypeptide receptor 2 (VIP2R) in complex with PACAP27 and Gs
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Xu, Y.N, Feng, W.B, Zhou, Q.T, Liang, A.Y, Li, J, Dai, A.T, Zhao, F.H, Yan, J.H, Chen, C.W, Li, H, Zhao, L.H, Xia, T, Jiang, Y, Xu, H.E, Yang, D.H, Wang, M.W.
登録日2021-10-21
公開日2022-05-18
実験手法ELECTRON MICROSCOPY (2.74 Å)
主引用文献A distinctive ligand recognition mechanism by the human vasoactive intestinal polypeptide receptor 2.
Nat Commun, 13, 2022
7X8R
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BU of 7x8r by Molmil
Cryo-EM structure of the Boc5-bound hGLP-1R-Gs complex
分子名称: 2,4-bis(3-methoxy-4-thiophen-2-ylcarbonyloxy-phenyl)-1,3-bis[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbonylamino]cyclobutane-1,3-dicarboxylic acid, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Cong, Z.T, Zhou, Q.T, Li, Y, Chen, L.N, Zhang, Z.C, Liang, A.Y, Liu, Q, Wu, X.Y, Dai, A.T, Xia, T, Wu, W, Zhang, Y, Yang, D.H, Wang, M.W.
登録日2022-03-14
公開日2022-06-29
実験手法ELECTRON MICROSCOPY (2.61 Å)
主引用文献Structural basis of peptidomimetic agonism revealed by small- molecule GLP-1R agonists Boc5 and WB4-24.
Proc.Natl.Acad.Sci.USA, 119, 2022
7X8S
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BU of 7x8s by Molmil
Cryo-EM structure of the WB4-24-bound hGLP-1R-Gs complex
分子名称: 2,4-bis(3-methoxy-4-thiophen-2-ylcarbonyloxy-phenyl)-1,3-bis[[4-(2-methylpropanoylamino)phenyl]carbonylamino]cyclobutane-1,3-dicarboxylic acid, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Cong, Z.T, Zhou, Q.T, Li, Y, Chen, L.N, Zhang, Z.C, Liang, A.Y, Liu, Q, Wu, X.Y, Dai, A.T, Xia, T, Wu, W, Zhang, Y, Yang, D.H, Wang, M.W.
登録日2022-03-14
公開日2022-06-29
実験手法ELECTRON MICROSCOPY (3.09 Å)
主引用文献Structural basis of peptidomimetic agonism revealed by small- molecule GLP-1R agonists Boc5 and WB4-24.
Proc.Natl.Acad.Sci.USA, 119, 2022
7WBJ
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BU of 7wbj by Molmil
Cryo-EM structure of N-terminal modified human vasoactive intestinal polypeptide receptor 2 (VIP2R) in complex with PACAP27 and Gs
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Xu, Y.N, Feng, W.B, Zhou, Q.T, Liang, A.Y, Li, J, Dai, A.T, Zhao, F.H, Yan, J.H, Chen, C.W, Li, H, Zhao, L.H, Xia, T, Jiang, Y, Xu, H.E, Yang, D.H, Wang, M.W.
登録日2021-12-16
公開日2022-05-18
実験手法ELECTRON MICROSCOPY (3.42 Å)
主引用文献A distinctive ligand recognition mechanism by the human vasoactive intestinal polypeptide receptor 2.
Nat Commun, 13, 2022
7VBH
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Cryo-EM structure of the GIPR/GLP-1R/GCGR triagonist peptide 20-bound human GLP-1R-Gs complex
分子名称: Glucagon-like peptide 1 receptor, 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Zhao, F.H, Zhou, Q.T, Cong, Z.T, Hang, K.N, Zou, X.Y, Zhang, C, Chen, Y, Dai, A.T, Liang, A.Y, Ming, Q.Q, Wang, M, Chen, L.N, Xu, P.Y, Chang, R.L, Feng, W.B, Xia, T, Zhang, Y, Wu, B.L, Yang, D.H, Zhao, L.H, Xu, H.E, Wang, M.W.
登録日2021-08-31
公開日2022-04-06
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural insights into multiplexed pharmacological actions of tirzepatide and peptide 20 at the GIP, GLP-1 or glucagon receptors.
Nat Commun, 13, 2022
2P3T
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BU of 2p3t by Molmil
Crystal structure of human factor XA complexed with 3-Chloro-4-(2-methylamino-imidazol-1-ylmethyl)-thiophene-2-carboxylic acid [4-chloro-2-(5-chloro-pyridin-2-ylcarbamoyl)-6-methoxy-phenyl]-amide
分子名称: 3-CHLORO-4-(2-METHYLAMINO-IMIDAZOL-1-YLMETHYL)-THIOPHENE-2-CARBOXYLIC ACID [4-CHLORO-2-(5-CHLORO-PYRIDIN-2-YLCARBAMOYL)-6-METHOXY-PHENYL]-AMIDE, CALCIUM ION, CHLORIDE ION, ...
著者Adler, M, Whitlow, M.
登録日2007-03-09
公開日2008-01-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Thiophene-anthranilamides as highly potent and orally available factor xa inhibitors.
J.Med.Chem., 50, 2007
3L1A
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BU of 3l1a by Molmil
Structural ordering of disordered ligand binding loops of biotin protein ligase into active conformations as a consequence of dehydration
分子名称: BirA bifunctional protein
著者Gupta, V.
登録日2009-12-11
公開日2010-03-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Structural ordering of disordered ligand-binding loops of biotin protein ligase into active conformations as a consequence of dehydration.
Plos One, 5, 2010
7V35
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BU of 7v35 by Molmil
Cryo-EM structure of the GIPR/GLP-1R/GCGR triagonist peptide 20-bound human GCGR-Gs complex
分子名称: Glucagon receptor, 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Zhao, F.h, Zhou, Q.T, Cong, Z.T, Hang, K.N, Zou, X.Y, Zhang, C, Chen, Y, Dai, A.T, Liang, A.Y, Ming, Q.Q, Wang, M, Chen, L.N, Xu, P.Y, Chang, R.L, Feng, W.B, Xia, T, Zhang, Y, Wu, B.L, Yang, D.H, Zhao, L.H, Xu, H.E, Wang, M.W.
登録日2021-08-10
公開日2022-03-02
最終更新日2022-03-16
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural insights into multiplexed pharmacological actions of tirzepatide and peptide 20 at the GIP, GLP-1 or glucagon receptors.
Nat Commun, 13, 2022
3L2Z
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BU of 3l2z by Molmil
Crystal structure of hydrated Biotin Protein Ligase from M. tuberculosis
分子名称: BirA bifunctional protein
著者Gupta, V, Gupta, R.K, Khare, G, Salunke, D.M, Tyagi, A.K.
登録日2009-12-16
公開日2010-03-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural ordering of disordered ligand-binding loops of biotin protein ligase into active conformations as a consequence of dehydration.
Plos One, 5, 2010
1P3H
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BU of 1p3h by Molmil
Crystal Structure of the Mycobacterium tuberculosis chaperonin 10 tetradecamer
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 10 kDa chaperonin, CALCIUM ION
著者Roberts, M.M, Coker, A.R, Fossati, G, Mascagni, P, Coates, A.R.M, Wood, S.P, TB Structural Genomics Consortium (TBSGC)
登録日2003-04-17
公開日2003-07-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Mycobacterium tuberculosis chaperonin 10 heptamers self-associate through their biologically active loops
J.BACTERIOL., 185, 2003
4LIQ
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BU of 4liq by Molmil
Structure of the extracellular domain of human CSF-1 receptor in complex with the Fab fragment of RG7155
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab fragment RG7155 heavy chain, Fab fragment RG7155 light chain, ...
著者Benz, J, Gorr, I.H, Hertenberger, H, Ries, C.H.
登録日2013-07-03
公開日2014-06-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Targeting tumor-associated macrophages with anti-CSF-1R antibody reveals a strategy for cancer therapy
Cancer Cell, 25, 2014
7BE7
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BU of 7be7 by Molmil
Crystal structure of MG-132 covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2.
分子名称: 1,2-ETHANEDIOL, 3C-like proteinase, CHLORIDE ION, ...
著者Costanzi, E, Demitri, N, Giabbai, B, Storici, P.
登録日2020-12-22
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Structural and Biochemical Analysis of the Dual Inhibition of MG-132 against SARS-CoV-2 Main Protease (Mpro/3CLpro) and Human Cathepsin-L.
Int J Mol Sci, 22, 2021
7BGP
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BU of 7bgp by Molmil
Crystal structure of MG-132 covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2 in absence of DTT.
分子名称: 1,2-ETHANEDIOL, 3C-like proteinase, CHLORIDE ION, ...
著者Costanzi, E, Demitri, N, Giabbai, B, Storici, P.
登録日2021-01-08
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Structural and Biochemical Analysis of the Dual Inhibition of MG-132 against SARS-CoV-2 Main Protease (Mpro/3CLpro) and Human Cathepsin-L.
Int J Mol Sci, 22, 2021
7BB2
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Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 at 1.6A resolution (spacegroup P2(1)2(1)2(1))
分子名称: 1,2-ETHANEDIOL, 3C-like proteinase, CHLORIDE ION, ...
著者Costanzi, E, Demitri, N, Giabbai, B, Storici, P.
登録日2020-12-16
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural and Biochemical Analysis of the Dual Inhibition of MG-132 against SARS-CoV-2 Main Protease (Mpro/3CLpro) and Human Cathepsin-L.
Int J Mol Sci, 22, 2021
8R1V
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Pseudomonas aeruginosa FabF C164A in complex with N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-methoxyphenoxy)acetamide
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, FORMIC ACID, ...
著者Yadrykhinsky, V, Brenk, R.
登録日2023-11-02
公開日2024-03-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.087 Å)
主引用文献Design, quality and validation of the EU-OPENSCREEN fragment library poised to a high-throughput screening collection.
Rsc Med Chem, 15, 2024
8R0I
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Pseudomonas aeruginosa FabF C164A in complex with 3-amino-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)benzamide
分子名称: 1,2-ETHANEDIOL, 3-azanyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)benzamide, 3-oxoacyl-[acyl-carrier-protein] synthase 2, ...
著者Yadrykhinsky, V, Brenk, R.
登録日2023-10-31
公開日2024-03-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Design, quality and validation of the EU-OPENSCREEN fragment library poised to a high-throughput screening collection.
Rsc Med Chem, 15, 2024

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