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4PBP
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BU of 4pbp by Molmil
crystal structure of zebrafish short-chain pentraxin protein
Descriptor: C-reactive protein, CALCIUM ION, GLYCEROL
Authors:Chen, R, Qi, J.X, George, F.G, Xia, C.
Deposit date:2014-04-13
Release date:2015-03-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.648 Å)
Cite:Crystal structures for short-chain pentraxin from zebrafish demonstrate a cyclic trimer with new recognition and effector faces.
J.Struct.Biol., 189, 2015
4PBO
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BU of 4pbo by Molmil
Crystal structure of zebrafish short-chain pentraxin protein without calcium ions
Descriptor: C-reactive protein
Authors:Chen, R, Qi, J.X, George, F.G, Xia, C.
Deposit date:2014-04-13
Release date:2015-03-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:Crystal structures for short-chain pentraxin from zebrafish demonstrate a cyclic trimer with new recognition and effector faces.
J.Struct.Biol., 189, 2015
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
8HBD
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BU of 8hbd by Molmil
Cryo-EM structure of IRL1620-bound ETBR-Gi complex
Descriptor: Endothelin receptor type B,Endothelin receptor type B,Oplophorus-luciferin 2-monooxygenase catalytic subunit chimera, 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:Yuan, Q, Ji, Y, Jiang, Y, Duan, J, Xu, H.E.
Deposit date:2022-10-28
Release date:2023-03-22
Last modified:2023-10-04
Method:ELECTRON MICROSCOPY (2.99 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
5ZHS
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BU of 5zhs by Molmil
Crystal structure of OsD14 in complex with covalently bound KK052
Descriptor: (4-phenylpiperazin-1-yl)(1H-1,2,3-triazol-1-yl)methanone, Strigolactone esterase D14
Authors:Hirabayashi, K, Miyakawa, T, Tanokura, M.
Deposit date:2018-03-13
Release date:2018-11-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Triazole Ureas Covalently Bind to Strigolactone Receptor and Antagonize Strigolactone Responses.
Mol Plant, 12, 2019
5ZHT
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BU of 5zht by Molmil
Crystal structure of OsD14 in complex with covalently bound KK073
Descriptor: (1H-1,2,3-triazol-1-yl){4-[4-(trifluoromethyl)phenyl]piperazin-1-yl}methanone, Strigolactone esterase D14
Authors:Hirabayashi, K, Miyakawa, T, Tanokura, M.
Deposit date:2018-03-13
Release date:2018-11-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.532 Å)
Cite:Triazole Ureas Covalently Bind to Strigolactone Receptor and Antagonize Strigolactone Responses.
Mol Plant, 12, 2019
5ZHR
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BU of 5zhr by Molmil
Crystal structure of OsD14 in complex with covalently bound KK094
Descriptor: (2,3-dihydro-1H-indol-1-yl)(1H-1,2,3-triazol-1-yl)methanone, Strigolactone esterase D14
Authors:Hirabayashi, K, Miyakawa, T, Tanokura, M.
Deposit date:2018-03-13
Release date:2018-11-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Triazole Ureas Covalently Bind to Strigolactone Receptor and Antagonize Strigolactone Responses.
Mol Plant, 12, 2019
6JL7
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BU of 6jl7 by Molmil
crystal structure of TBC1D23 N terminal domain
Descriptor: TBC1 domain family member 23
Authors:Sun, Q, Hu, W, Jia, D.
Deposit date:2019-03-04
Release date:2020-03-04
Last modified:2021-09-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of TBC1D23 N-terminus reveals a novel role for rhodanese domain.
Plos Biol., 18, 2020
5VS6
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BU of 5vs6 by Molmil
Structure of DUB complex
Descriptor: ACETATE ION, GLYCEROL, N-[3-({4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl}methyl)-4-oxo-3,4-dihydroquinazolin-7-yl]-3-(4-methylpiperazin-1-yl)propanamide, ...
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2017-05-11
Release date:2017-12-20
Last modified:2018-01-03
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structure-Guided Development of a Potent and Selective Non-covalent Active-Site Inhibitor of USP7.
Cell Chem Biol, 24, 2017
5VSK
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BU of 5vsk by Molmil
Structure of DUB complex
Descriptor: 7-chloro-3-({4-hydroxy-1-[(3S)-3-phenylbutanoyl]piperidin-4-yl}methyl)quinazolin-4(3H)-one, Ubiquitin carboxyl-terminal hydrolase 7, ZINC ION
Authors:Seo, H.-Y, Dhe-Paganon, S.
Deposit date:2017-05-11
Release date:2017-12-20
Last modified:2018-01-03
Method:X-RAY DIFFRACTION (3.33 Å)
Cite:Structure-Guided Development of a Potent and Selective Non-covalent Active-Site Inhibitor of USP7.
Cell Chem Biol, 24, 2017
5VSB
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BU of 5vsb by Molmil
Structure of DUB complex
Descriptor: 7-chloro-3-{[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl}quinazolin-4(3H)-one, Ubiquitin carboxyl-terminal hydrolase 7
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2017-05-11
Release date:2017-12-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-Guided Development of a Potent and Selective Non-covalent Active-Site Inhibitor of USP7.
Cell Chem Biol, 24, 2017
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
7DW5
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BU of 7dw5 by Molmil
Crystal structure of DUX4 HD1-HD2 domain complexed with ERG sites
Descriptor: BROMIDE ION, DNA (5'-D(P*CP*GP*AP*CP*TP*TP*GP*AP*TP*GP*AP*GP*AP*TP*TP*AP*GP*AP*CP*TP*G)-3'), Double homeobox protein 4-like protein 2
Authors:Zhang, H, Cheng, N, Li, Z, Zhang, W, Dong, X, Huang, J, Meng, G.
Deposit date:2021-01-15
Release date:2021-11-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:DNA crosslinking and recombination-activating genes 1/2 (RAG1/2) are required for oncogenic splicing in acute lymphoblastic leukemia.
Cancer Commun (Lond), 41, 2021
7DO1
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BU of 7do1 by Molmil
Solution structure of a heteromolecular telomeric (3+1) G-quadruplex containing right loop progression
Descriptor: DNA (5'-D(*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*G)-3'), DNA (5'-D(*TP*TP*AP*GP*GP*G)-3')
Authors:Fu, W.Q, Jing, H.T, Zhang, N.
Deposit date:2020-12-11
Release date:2021-09-29
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Two coexisting pseudo-mirror heteromolecular telomeric G-quadruplexes in opposite loop progressions differentially recognized by a low equivalent of Thioflavin T.
Nucleic Acids Res., 49, 2021
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
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
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
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
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
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:2021-11-10
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
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:2021-11-10
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
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
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:2022-03-09
Method:SOLUTION NMR
Cite:Solution structure of Jingzhaotoxin-III, a novel toxin inhibiting both Nav and Kv channels
To be Published
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

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