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8JGG
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BU of 8jgg by Molmil
CryoEM structure of Gi-coupled MRGPRX1 with peptide agonist BAM8-22
Descriptor: 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, ...
Authors: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.
Deposit date:2023-05-20
Release date:2024-01-10
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Ligand recognition and G protein coupling of the human itch receptor MRGPRX1.
Nat Commun, 14, 2023
8GCM
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BU of 8gcm by Molmil
Cryo-EM Structure of the Prostaglandin E Receptor EP4 Coupled to G Protein
Descriptor: (5S)-5-[(3R)-4,4-difluoro-3-hydroxy-4-phenylbutyl]-1-[6-(1H-tetrazol-5-yl)hexyl]pyrrolidin-2-one, 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, ...
Authors:Huang, S.M, Xiong, M.Y, Liu, L, Mu, J, Sheng, C, Sun, J.
Deposit date:2023-03-02
Release date:2024-01-03
Last modified:2024-01-10
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Single hormone or synthetic agonist induces G s /G i coupling selectivity of EP receptors via distinct binding modes and propagating paths.
Proc.Natl.Acad.Sci.USA, 120, 2023
8GCP
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BU of 8gcp by Molmil
Cryo-EM Structure of the Prostaglandin E2 Receptor 4 Coupled to G Protein
Descriptor: (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Huang, S.M, Xiong, M.Y, Liu, L, Mu, J, Sheng, C, Sun, J.
Deposit date:2023-03-02
Release date:2024-01-03
Last modified:2024-01-10
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Single hormone or synthetic agonist induces G s /G i coupling selectivity of EP receptors via distinct binding modes and propagating paths.
Proc.Natl.Acad.Sci.USA, 120, 2023
5DIJ
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BU of 5dij by Molmil
The crystal structure of CT
Descriptor: CHLORIDE ION, GLYCEROL, TqaA
Authors:Zhang, J.R, Tang, Y, Zhou, J.H.
Deposit date:2015-09-01
Release date:2016-09-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of nonribosomal peptide macrocyclization in fungi
Nat.Chem.Biol., 12, 2016
5DLK
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BU of 5dlk by Molmil
The crystal structure of CT mutant
Descriptor: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, TqaA
Authors:Zhang, J.R, Tang, Y, Zhou, J.H.
Deposit date:2015-09-06
Release date:2016-09-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis of nonribosomal peptide macrocyclization in fungi
Nat.Chem.Biol., 12, 2016
5EGF
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BU of 5egf by Molmil
The crystal structure of SeMet-CT
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 1,2-ETHANEDIOL, TqaA
Authors:Zhang, J.R, Tang, Y, Zhou, J.H.
Deposit date:2015-10-27
Release date:2016-10-19
Last modified:2020-02-19
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structural basis of nonribosomal peptide macrocyclization in fungi
Nat.Chem.Biol., 12, 2016
5EJD
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BU of 5ejd by Molmil
The crystal structure of holo T3CT
Descriptor: 4'-PHOSPHOPANTETHEINE, GLYCEROL, TqaA
Authors:Zhang, J.R, Tang, Y, Zhou, J.H.
Deposit date:2015-11-01
Release date:2016-10-19
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structural basis of nonribosomal peptide macrocyclization in fungi
Nat.Chem.Biol., 12, 2016
3OJI
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BU of 3oji by Molmil
X-ray crystal structure of the Py13 -pyrabactin complex
Descriptor: 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide, Abscisic acid receptor PYL3, SULFATE ION
Authors:Zhang, X, Zhang, Q, Wang, G, Chen, Z.
Deposit date:2010-08-23
Release date:2011-08-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Complex Structures of the Abscisic Acid Receptor PYL3/RCAR13 Reveal a Unique Regulatory Mechanism
Structure, 20, 2012
3LGP
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BU of 3lgp by Molmil
Crystal structure of catalytic domain of tace with benzimidazolyl-thienyl-tartrate based inhibitor
Descriptor: (2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(5-{[2-(trifluoromethyl)-1H-benzimidazol-1-yl]methyl}thiophen-2-yl)methyl]butanamide, Disintegrin and metalloproteinase domain-containing protein 17, ZINC ION
Authors:Orth, P.
Deposit date:2010-01-21
Release date:2010-07-28
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and activity relationships of tartrate-based TACE inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
7EIZ
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BU of 7eiz by Molmil
Coupling of N7-methyltransferase and 3'-5' exoribonuclease with SARS-CoV-2 polymerase reveals mechanisms for capping and proofreading
Descriptor: Helicase, MAGNESIUM ION, Non-structural protein 10, ...
Authors:Yan, L, Yang, Y.X, Li, M.Y, Zhang, Y, Zheng, L.T, Ge, J, Huang, Y.C, Liu, Z.Y, Wang, T, Gao, S, Zhang, R, Huang, Y.Y, Guddat, L.W, Gao, Y, Rao, Z.H, Lou, Z.Y.
Deposit date:2021-04-01
Release date:2021-09-22
Last modified:2023-07-26
Method:ELECTRON MICROSCOPY
Cite:Coupling of N7-methyltransferase and 3'-5' exoribonuclease with SARS-CoV-2 polymerase reveals mechanisms for capping and proofreading
Cell, 184, 2021
1NIY
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BU of 1niy by Molmil
THREE DIMENSIONAL SOLUTION STRUCTURE OF HAINANTOXIN-IV BY 2D 1H-NMR
Descriptor: HAINANTOXIN-IV
Authors:Li, D, Lu, S, Gu, X, Liang, S.
Deposit date:2002-12-30
Release date:2003-01-14
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Structure-Activity Relationships of Hainantoxin-IV and Structure Determination of Active and Inactive Sodium Channel Blockers.
J.Biol.Chem., 279, 2004
2VYO
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BU of 2vyo by Molmil
Chitin deacetylase family member from Encephalitozoon cuniculi
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Urch, J.E, Hurtado-Guerrero, R, Texier, C, Van Aalten, D.M.F.
Deposit date:2008-07-25
Release date:2008-08-12
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural and Functional Characterization of a Putative Polysaccharide Deacetylase of the Human Parasite Encephalitozoon Cuniculi.
Protein Sci., 18, 2009
8GDB
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BU of 8gdb by Molmil
Cryo-EM Structure of the Prostaglandin E2 Receptor 4 Coupled to G Protein
Descriptor: (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
Authors:Shenming, H, Mengyao, X, Lei, L, Jianqiang, M, Jinpeng, S.
Deposit date:2023-03-03
Release date:2024-01-10
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Single hormone or synthetic agonist induces G s /G i coupling selectivity of EP receptors via distinct binding modes and propagating paths.
Proc.Natl.Acad.Sci.USA, 120, 2023
8GDC
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BU of 8gdc by Molmil
Cryo-EM Structure of the Prostaglandin E2 Receptor 3 Coupled to G Protein
Descriptor: (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Shenming, H, Mengyao, X, Lei, L, Yang, D, Shiyi, G, Jinpeng, S.
Deposit date:2023-03-03
Release date:2024-01-10
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Single hormone or synthetic agonist induces G s /G i coupling selectivity of EP receptors via distinct binding modes and propagating paths.
Proc.Natl.Acad.Sci.USA, 120, 2023
8GDA
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BU of 8gda by Molmil
Cryo-EM Structure of the Prostaglandin E2 Receptor 4 Coupled to G Protein
Descriptor: (2S,5R)-5-[(1E,3S)-4,4-difluoro-3-hydroxy-4-phenylbut-1-en-1-yl]-1-[6-(1H-tetrazol-5-yl)hexyl]pyrrolidin-2-ol, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
Authors:Shenming, H, Mengyao, X, Lei, L, Jiangqian, M, Sheng, C, Jinpeng, S.
Deposit date:2023-03-03
Release date:2024-01-10
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Single hormone or synthetic agonist induces G s /G i coupling selectivity of EP receptors via distinct binding modes and propagating paths.
Proc.Natl.Acad.Sci.USA, 120, 2023
8GD9
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BU of 8gd9 by Molmil
Cryo-EM Structure of the Prostaglandin E2 Receptor 4 Coupled to G Protein
Descriptor: 4-({2-[(1R,2R,3R,5S)-3,5-dihydroxy-2-{(3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]butyl}cyclopentyl]ethyl}sulfanyl)butanoic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
Authors:Shenming, H, Mengyao, X, Lei, L, Yang, D, Sheng, C, Jinpeng, S.
Deposit date:2023-03-03
Release date:2024-01-10
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Single hormone or synthetic agonist induces G s /G i coupling selectivity of EP receptors via distinct binding modes and propagating paths.
Proc.Natl.Acad.Sci.USA, 120, 2023
2WZ8
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BU of 2wz8 by Molmil
Family 35 carbohydrate binding module from Clostridium thermocellum
Descriptor: CALCIUM ION, CELLULOSOME PROTEIN DOCKERIN TYPE I, MAGNESIUM ION
Authors:Gloster, T.M, Davies, G.J, Fontes, C.M, Gilbert, H.J.
Deposit date:2009-11-25
Release date:2010-07-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Signature Active Site Architectures Illuminate the Molecular Basis for Ligand Specificity in Family 35 Carbohydrate Binding Module .
Biochemistry, 49, 2010
8IEK
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BU of 8iek by Molmil
Cryo-EM structure of ATP13A2 in the E1-ATP state
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Polyamine-transporting ATPase 13A2
Authors:Liu, Z.M, Mu, J.Q, Xue, C.Y.
Deposit date:2023-02-15
Release date:2023-12-27
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Conformational cycle of human polyamine transporter ATP13A2.
Nat Commun, 14, 2023
8IES
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BU of 8ies by Molmil
Cryo-EM structure of ATP13A2 in the E1P-ADP state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Polyamine-transporting ATPase 13A2, ...
Authors:Liu, Z.M, Mu, J.Q, Xue, C.Y.
Deposit date:2023-02-15
Release date:2023-12-20
Method:ELECTRON MICROSCOPY (3.73 Å)
Cite:Conformational cycle of human polyamine transporter ATP13A2.
Nat Commun, 14, 2023
8IEM
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BU of 8iem by Molmil
Cryo-EM structure of ATP13A2 in the E2P state
Descriptor: BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, Polyamine-transporting ATPase 13A2, ...
Authors:Liu, Z.M, Mu, J.Q, Xue, C.Y.
Deposit date:2023-02-15
Release date:2023-12-20
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:Conformational cycle of human polyamine transporter ATP13A2.
Nat Commun, 14, 2023
8IEL
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BU of 8iel by Molmil
Cryo-EM structure of ATP13A2 in the E1-like state
Descriptor: Polyamine-transporting ATPase 13A2
Authors:Liu, Z.M, Mu, J.Q, Xue, C.Y.
Deposit date:2023-02-15
Release date:2023-12-20
Method:ELECTRON MICROSCOPY (5.65 Å)
Cite:Conformational cycle of human polyamine transporter ATP13A2.
Nat Commun, 14, 2023
8IEO
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BU of 8ieo by Molmil
Cryo-EM structure of ATP13A2 in the nominal E1P state
Descriptor: MAGNESIUM ION, Polyamine-transporting ATPase 13A2, SPERMINE, ...
Authors:Liu, Z.M, Mu, J.Q, Xue, C.Y.
Deposit date:2023-02-15
Release date:2023-12-20
Method:ELECTRON MICROSCOPY (3.78 Å)
Cite:Conformational cycle of human polyamine transporter ATP13A2.
Nat Commun, 14, 2023
8IEN
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BU of 8ien by Molmil
Cryo-EM structure of ATP13A2 in the E2-Pi state
Descriptor: MAGNESIUM ION, Polyamine-transporting ATPase 13A2, SPERMINE, ...
Authors:Liu, Z.M, Mu, J.Q, Xue, C.Y.
Deposit date:2023-02-15
Release date:2023-12-20
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:Conformational cycle of human polyamine transporter ATP13A2.
Nat Commun, 14, 2023
8IER
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BU of 8ier by Molmil
Cryo-EM structure of ATP13A2 in the putative of E2 state
Descriptor: Polyamine-transporting ATPase 13A2, SPERMINE
Authors:Liu, Z.M, Mu, J.Q, Xue, C.Y.
Deposit date:2023-02-15
Release date:2023-12-20
Method:ELECTRON MICROSCOPY (4.87 Å)
Cite:Conformational cycle of human polyamine transporter ATP13A2.
Nat Commun, 14, 2023
7VBT
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BU of 7vbt by Molmil
Crystal structure of RIOK2 in complex with CQ211
Descriptor: 8-(6-methoxypyridin-3-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-5H-[1,2,3]triazolo[4,5-c]quinolin-4-one, Serine/threonine-protein kinase RIO2
Authors:Zhu, C, Zhang, Z.M.
Deposit date:2021-09-01
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.54001474 Å)
Cite:Discovery of 8-(6-Methoxypyridin-3-yl)-1-(4-(piperazin-1-yl)-3-(trifluoromethyl)phenyl)-1,5-dihydro- 4H -[1,2,3]triazolo[4,5- c ]quinolin-4-one (CQ211) as a Highly Potent and Selective RIOK2 Inhibitor.
J.Med.Chem., 65, 2022

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