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8HCX
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BU of 8hcx by Molmil
Cryo-EM structure of Endothelin1-bound ETBR-Gq complex
Descriptor: Endothelin receptor type B,Oplophorus-luciferin 2-monooxygenase catalytic subunit chimera, Endothelin-1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Yuan, Q, Jiang, Y, Xu, H.E, Ji, Y, Duan, J.
Deposit date:2022-11-03
Release date:2023-03-22
Last modified:2023-10-04
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural basis of peptide recognition and activation of endothelin receptors.
Nat Commun, 14, 2023
8HCQ
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BU of 8hcq by Molmil
Cryo-EM structure of endothelin1-bound ETAR-Gq complex
Descriptor: Endothelin-1, Endothelin-1 receptor,Oplophorus-luciferin 2-monooxygenase catalytic subunit chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Yuan, Q, Jiang, Y, Xu, H.E, Ji, Y, Duan, J.
Deposit date:2022-11-02
Release date:2023-03-22
Last modified:2023-10-04
Method:ELECTRON MICROSCOPY (3.01 Å)
Cite:Structural basis of peptide recognition and activation of endothelin receptors.
Nat Commun, 14, 2023
8IGZ
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BU of 8igz by Molmil
Xcc NAMPT Quadruple mutant
Descriptor: Pre-B cell enhancing factor related protein
Authors:Xu, G.L, Ming, Z.H.
Deposit date:2023-02-21
Release date:2024-02-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Structural insights into Xanthomonas campestris pv. campestris NAD + biosynthesis via the NAM salvage pathway.
Commun Biol, 7, 2024
6KTW
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BU of 6ktw by Molmil
structure of EanB with hercynine
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Wu, L, Liu, P.H, Zhou, J.H.
Deposit date:2019-08-29
Release date:2020-08-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.931 Å)
Cite:Single-Step Replacement of an Unreactive C-H Bond by a C-S Bond Using Polysulfide as the Direct Sulfur Source in the Anaerobic Ergothioneine Biosynthesis
Acs Catalysis, 10, 2020
6KU2
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BU of 6ku2 by Molmil
The structure of EanB/Y353A complex with ergothioneine covalent linked with persulfide Cys412
Descriptor: 1,2-ETHANEDIOL, BROMIDE ION, CHLORIDE ION, ...
Authors:Wu, L, Liu, P.H, Zhou, J.H.
Deposit date:2019-08-30
Release date:2020-08-26
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Single-Step Replacement of an Unreactive C-H Bond by a C-S Bond Using Polysulfide as the Direct Sulfur Source in the Anaerobic Ergothioneine Biosynthesis
Acs Catalysis, 10, 2020
6KTZ
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BU of 6ktz by Molmil
The complex structure of EanB/C412S with hercynine
Descriptor: 1,2-ETHANEDIOL, BROMIDE ION, CHLORIDE ION, ...
Authors:Wu, L, Liu, P.H, Zhou, J.H.
Deposit date:2019-08-29
Release date:2020-08-26
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Single-Step Replacement of an Unreactive C-H Bond by a C-S Bond Using Polysulfide as the Direct Sulfur Source in the Anaerobic Ergothioneine Biosynthesis
Acs Catalysis, 10, 2020
6KTV
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BU of 6ktv by Molmil
The structure of EanB complex with hercynine and persulfided Cys412
Descriptor: 1,2-ETHANEDIOL, 1,3-PROPANDIOL, CHLORIDE ION, ...
Authors:Wu, L, Liu, P.H, Zhou, J.H.
Deposit date:2019-08-29
Release date:2020-08-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Single-Step Replacement of an Unreactive C-H Bond by a C-S Bond Using Polysulfide as the Direct Sulfur Source in the Anaerobic Ergothioneine Biosynthesis
Acs Catalysis, 10, 2020
6KTX
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BU of 6ktx by Molmil
The wildtype structure of EanB
Descriptor: 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, ...
Authors:Wu, L, Liu, P.H, Zhou, J.H.
Deposit date:2019-08-29
Release date:2020-08-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.189 Å)
Cite:Single-Step Replacement of an Unreactive C-H Bond by a C-S Bond Using Polysulfide as the Direct Sulfur Source in the Anaerobic Ergothioneine Biosynthesis
Acs Catalysis, 10, 2020
6KU1
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BU of 6ku1 by Molmil
The structure of EanB/Y353A complex with ergothioneine
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Wu, L, Liu, P.H, Zhou, J.H.
Deposit date:2019-08-30
Release date:2020-08-26
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Single-Step Replacement of an Unreactive C-H Bond by a C-S Bond Using Polysulfide as the Direct Sulfur Source in the Anaerobic Ergothioneine Biosynthesis
Acs Catalysis, 10, 2020
6L5T
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BU of 6l5t by Molmil
The crystal structure of SADS-CoV Papain Like protease
Descriptor: Peptidase C16, ZINC ION
Authors:Fan, C.P.
Deposit date:2019-10-24
Release date:2020-04-08
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structural and biochemical characterization of SADS-CoV papain-like protease 2.
Protein Sci., 29, 2020
1RYG
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BU of 1ryg by Molmil
Three dimensional solution structure of the R29A MUTANT of sodium channels inhibitor HAINANTOXIN-IV by 2D 1H-NMR
Descriptor: Hainantoxin-IV
Authors:Li, D, Lu, S, Gu, X, Liang, S.
Deposit date:2003-12-22
Release date:2004-01-13
Last modified:2024-10-30
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
1RYV
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BU of 1ryv by Molmil
Three dimensional solution structure of the K27A MUTANT of sodium channels inhibitor HAINANTOXIN-IV BY 2D 1H-NMR
Descriptor: Hainantoxin-IV
Authors:Li, D, Lu, S, Gu, X, Liang, S.
Deposit date:2003-12-22
Release date:2004-01-13
Last modified:2024-10-30
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
1TKQ
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BU of 1tkq by Molmil
SOLUTION STRUCTURE OF A LINKED UNSYMMETRIC GRAMICIDIN IN A MEMBRANE-ISOELECTRICAL SOLVENTS MIXTURE IN THE PRESENCE OF CsCl
Descriptor: GRAMICIDIN A, MINI-GRAMICIDIN A, SUCCINIC ACID
Authors:Xie, X, Al-Momani, L, Bockelmann, D, Griesinger, C, Koert, U.
Deposit date:2004-06-09
Release date:2004-07-13
Last modified:2019-09-25
Method:SOLUTION NMR
Cite:An Asymmetric Ion Channel Derived from Gramicidin A. Synthesis, Function and NMR Structure.
FEBS J., 272, 2005
7CC9
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BU of 7cc9 by Molmil
Sulfur binding domain of SprMcrA complexed with phosphorothioated DNA
Descriptor: ACETATE ION, DNA (5'-D(*GP*GP*CP*GP*GS*CP*CP*C)-3'), DNA (5'-D(*GP*GP*GP*CP*CP*GP*CP*C)-3'), ...
Authors:Yu, H, Zhao, G, Gan, J, Liu, G, Wu, G, He, X.
Deposit date:2020-06-16
Release date:2020-07-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.063 Å)
Cite:DNA backbone interactions impact the sequence specificity of DNA sulfur-binding domains: revelations from structural analyses.
Nucleic Acids Res., 48, 2020
7CCJ
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BU of 7ccj by Molmil
Sulfur binding domain of SprMcrA complexed with phosphorothioated DNA
Descriptor: DNA (5'-D(*GP*GP*AP*TP*CP*AP*TP*C)-3'), HNHc domain-containing protein
Authors:Yu, H, Zhao, G, Gan, J, Liu, G, Wu, G, He, X.
Deposit date:2020-06-17
Release date:2020-07-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:DNA backbone interactions impact the sequence specificity of DNA sulfur-binding domains: revelations from structural analyses.
Nucleic Acids Res., 48, 2020
2I1T
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BU of 2i1t by Molmil
Solution structure of Jingzhaotoxin-III, a novel toxin inhibiting both Nav and Kv channels
Descriptor: Jingzhaotoxin-3
Authors:Liao, Z, Peng, K, Liang, S.
Deposit date:2006-08-15
Release date:2006-08-29
Last modified:2024-10-16
Method:SOLUTION NMR
Cite:Solution structure of Jingzhaotoxin-III, a novel toxin inhibiting both Nav and Kv channels
To be Published
4EWQ
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BU of 4ewq by Molmil
Human p38 alpha MAPK in complex with a pyridazine based inhibitor
Descriptor: 3-phenyl-4-(pyridin-4-yl)-6-[4-(pyrimidin-2-yl)piperazin-1-yl]pyridazine, 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, ACETATE ION, ...
Authors:Grum-Tokars, V, Minasov, G, Roy, S, Schavocky, J, Winsor, J, Watterson, D.M, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-04-27
Release date:2012-06-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A Selective and Brain Penetrant p38 alpha MAPK Inhibitor Candidate for Neurologic and Neuropsychiatric Disorders That Attenuates Neuroinflammation and Cognitive Dysfunction.
J.Med.Chem., 62, 2019

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