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4PMM
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BU of 4pmm by Molmil
The structure of TrkA kinase bound to the inhibitor N-(3-cyclopropyl-1-phenyl-1H-pyrazol-5-yl)-2-{4-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl]-1H-1,2,3-triazol-1-yl}acetamide
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Su, H.P.
Deposit date:2014-05-22
Release date:2014-06-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Maximizing diversity from a kinase screen: identification of novel and selective pan-Trk inhibitors for chronic pain.
J.Med.Chem., 57, 2014
7DWB
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BU of 7dwb by Molmil
Human Pannexin1 model
Descriptor: Pannexin-1
Authors:Zhang, S.S, Yang, M.J.
Deposit date:2021-01-17
Release date:2021-05-26
Method:ELECTRON MICROSCOPY (3.15 Å)
Cite:Structure of the full-length human Pannexin1 channel and insights into its role in pyroptosis.
Cell Discov, 7, 2021
4PMT
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BU of 4pmt by Molmil
The structure of TrkA kinase bound to the inhibitor N~4~-(4-morpholin-4-ylphenyl)-N~6~-(pyridin-3-ylmethyl)pyrido[3,2-d]pyrimidine-4,6-diamine
Descriptor: ACETATE ION, CHLORIDE ION, High affinity nerve growth factor receptor, ...
Authors:Su, H.P.
Deposit date:2014-05-22
Release date:2014-06-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Maximizing diversity from a kinase screen: identification of novel and selective pan-Trk inhibitors for chronic pain.
J.Med.Chem., 57, 2014
4NW3
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BU of 4nw3 by Molmil
Crystal structure of MLL CXXC domain in complex with a CpG DNA
Descriptor: 5'-D(*GP*CP*CP*AP*TP*CP*GP*AP*TP*GP*GP*C)-3', Histone-lysine N-methyltransferase 2A, ZINC ION
Authors:Bian, C, Tempel, W, Chao, X, Walker, J.R, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2013-12-05
Release date:2014-04-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:DNA Sequence Recognition of Human CXXC Domains and Their Structural Determinants.
Structure, 26, 2018
4O64
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BU of 4o64 by Molmil
Zinc fingers of KDM2B
Descriptor: Lysine-specific demethylase 2B, UNKNOWN ATOM OR ION, ZINC ION
Authors:Liu, K, Xu, C, Tempel, W, Walker, J.R, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2013-12-20
Release date:2014-04-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:DNA Sequence Recognition of Human CXXC Domains and Their Structural Determinants.
Structure, 26, 2018
4PZI
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BU of 4pzi by Molmil
Zinc finger region of MLL2 in complex with CpG DNA
Descriptor: DNA (5'-D(*GP*CP*CP*AP*CP*CP*GP*GP*TP*GP*GP*C)-3'), Histone-lysine N-methyltransferase 2B, UNKNOWN ATOM OR ION, ...
Authors:Chao, X, Tempel, W, Liu, K, Dong, A, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2014-03-31
Release date:2014-06-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:DNA Sequence Recognition of Human CXXC Domains and Their Structural Determinants.
Structure, 26, 2018
8K2C
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BU of 8k2c by Molmil
Cryo-EM structure of the human 80S ribosome with Tigecycline
Descriptor: 18S rRNA, 28S rRNA, 40S ribosomal protein S10, ...
Authors:Li, X, Wang, M, Cheng, J.
Deposit date:2023-07-12
Release date:2024-07-10
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Structural basis for differential inhibition of eukaryotic ribosomes by tigecycline.
Nat Commun, 15, 2024
7BXU
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BU of 7bxu by Molmil
CLC-7/Ostm1 membrane protein complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, H(+)/Cl(-) exchange transporter 7, Osteopetrosis-associated transmembrane protein 1
Authors:Zhang, S.S, Yang, M.J.
Deposit date:2020-04-20
Release date:2020-09-16
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Molecular insights into the human CLC-7/Ostm1 transporter.
Sci Adv, 6, 2020
7BZG
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BU of 7bzg by Molmil
Structure of Bacillus subtilis HxlR, wild type in complex with formaldehyde and DNA
Descriptor: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, DI(HYDROXYETHYL)ETHER, DNA (5'-D(*CP*AP*GP*TP*AP*TP*CP*CP*TP*CP*GP*AP*GP*GP*AP*TP*AP*CP*TP*G)-3'), ...
Authors:Zhu, R, Chen, P.R.
Deposit date:2020-04-27
Release date:2021-02-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Genetically encoded formaldehyde sensors inspired by a protein intra-helical crosslinking reaction.
Nat Commun, 12, 2021
6A1Y
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BU of 6a1y by Molmil
Charcot-Leyden crystal protein/Galectin-10 variant Y35A
Descriptor: Galectin-10
Authors:Su, J.
Deposit date:2018-06-08
Release date:2018-12-26
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Identification of key amino acid residues determining ligand binding specificity, homodimerization and cellular distribution of human galectin-10
Glycobiology, 29, 2019
6A65
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BU of 6a65 by Molmil
Placental protein 13/galectin-13 variant R53HR55N with Tris
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Galactoside-binding soluble lectin 13
Authors:Su, J.
Deposit date:2018-06-26
Release date:2018-12-26
Method:X-RAY DIFFRACTION (1.771 Å)
Cite:Resetting the ligand binding site of placental protein 13/galectin-13 recovers its ability to bind lactose
Biosci. Rep., 38, 2018
7BZD
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BU of 7bzd by Molmil
Structure of Bacillus subtilis HxlR, wild type
Descriptor: HTH-type transcriptional activator HxlR
Authors:Zhu, R, Chen, P.R.
Deposit date:2020-04-27
Release date:2021-02-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.612 Å)
Cite:Genetically encoded formaldehyde sensors inspired by a protein intra-helical crosslinking reaction.
Nat Commun, 12, 2021
7BZE
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BU of 7bze by Molmil
Structure of Bacillus subtilis HxlR, K13A mutant
Descriptor: DI(HYDROXYETHYL)ETHER, HTH-type transcriptional activator HxlR
Authors:Zhu, R, Chen, P.R.
Deposit date:2020-04-27
Release date:2021-02-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.658 Å)
Cite:Genetically encoded formaldehyde sensors inspired by a protein intra-helical crosslinking reaction.
Nat Commun, 12, 2021
6AKR
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BU of 6akr by Molmil
Crystal structure of the PDE4D catalytic domain in complex with osthole
Descriptor: 7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one, ZINC ION, cAMP-specific 3',5'-cyclic phosphodiesterase 4D
Authors:Wang, S, Huo, Y.W, Xie, Y.
Deposit date:2018-09-03
Release date:2020-02-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.326 Å)
Cite:Airway relaxation mechanisms and structural basis of osthole for improving lung function in asthma.
Sci.Signal., 13, 2020
4PL0
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BU of 4pl0 by Molmil
Crystal structure of the antibacterial peptide ABC transporter McjD in an outward occluded state
Descriptor: MAGNESIUM ION, Microcin-J25 export ATP-binding/permease protein McjD, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Choudhury, H.G, Beis, K.
Deposit date:2014-05-15
Release date:2014-06-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of an antibacterial peptide ATP-binding cassette transporter in a novel outward occluded state.
Proc.Natl.Acad.Sci.USA, 111, 2014
2MUN
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BU of 2mun by Molmil
Solution structure of mu-SLPTX3-Ssm6a
Descriptor: Mu-scoloptoxin-Ssm6a
Authors:Undheim, E.A.B, King, G.F, Mobli, M.
Deposit date:2014-09-13
Release date:2015-06-24
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Weaponization of a Hormone: Convergent Recruitment of Hyperglycemic Hormone into the Venom of Arthropod Predators.
Structure, 23, 2015
6IVU
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BU of 6ivu by Molmil
Solution structure of the Sigma-anti-sigma factor complex RsgI1N-SigI1C from Clostridium thermocellum
Descriptor: Anti-sigma-I factor RsgI1, RNA polymerase sigma factor SigI1
Authors:Wei, Z, Feng, Y.
Deposit date:2018-12-04
Release date:2019-05-15
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Alternative sigma I/anti-sigma I factors represent a unique form of bacterial sigma /anti-sigma complex.
Nucleic Acids Res., 47, 2019
6IVS
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BU of 6ivs by Molmil
Solution structure of the N-terminal domain of the anti-sigma factor RsgI1 from Clostridium thermocellum
Descriptor: Anti-sigma-I factor RsgI1
Authors:Wei, Z, Feng, Y.
Deposit date:2018-12-04
Release date:2019-05-15
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Alternative sigma I/anti-sigma I factors represent a unique form of bacterial sigma /anti-sigma complex.
Nucleic Acids Res., 47, 2019
5YF1
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BU of 5yf1 by Molmil
Crystal structure of CARNMT1 bound to carnosine and SFG
Descriptor: (2~{S})-2-(3-azanylpropanoylamino)-3-(1~{H}-imidazol-4-yl)propanoic acid, 1,2-ETHANEDIOL, ACETATE ION, ...
Authors:Cao, R, Li, H.
Deposit date:2017-09-20
Release date:2018-08-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.399 Å)
Cite:Molecular basis for histidine N1 position-specific methylation by CARNMT1.
Cell Res., 28, 2018
5YF0
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BU of 5yf0 by Molmil
Crystal structure of CARNMT1 bound to SAM
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Cao, R, Zhang, X, Li, H.
Deposit date:2017-09-20
Release date:2018-08-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Molecular basis for histidine N1 position-specific methylation by CARNMT1.
Cell Res., 28, 2018
5YF2
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BU of 5yf2 by Molmil
Crystal structure of CARNMT1 bound to anserine and SAH
Descriptor: (2~{S})-2-(3-azanylpropanoylamino)-3-(3-methylimidazol-4-yl)propanoic acid, CALCIUM ION, Carnosine N-methyltransferase, ...
Authors:Cao, R, Li, H.
Deposit date:2017-09-20
Release date:2018-08-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.802 Å)
Cite:Molecular basis for histidine N1 position-specific methylation by CARNMT1.
Cell Res., 28, 2018
8JPP
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BU of 8jpp by Molmil
Cryo-EM structure of succinate receptor bound to succinate acid coupling MiniGsq
Descriptor: 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, ...
Authors:Wang, T.X, Tang, W.Q, Li, F.H, Wang, J.Y.
Deposit date:2023-06-12
Release date:2024-05-22
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Molecular activation and G protein coupling selectivity of human succinate receptor SUCR1.
Cell Res., 2024
8WUY
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BU of 8wuy by Molmil
Crystal Structure of TR3 LBD in complex with para-positioned 3,4,5-trisubstituted benzene derivatives
Descriptor: Nuclear receptor subfamily 4immunitygroup A member 1, ~{N}-methyl-~{N}-octyl-3,4,5-tris(oxidanyl)benzamide
Authors:Hong, W.B, Chen, X.Q, Lin, T.W.
Deposit date:2023-10-21
Release date:2024-01-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-based design and synthesis of anti-fibrotic compounds derived from para-positioned 3,4,5-trisubstituted benzene.
Bioorg.Chem., 144, 2024
8JPN
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BU of 8jpn by Molmil
Cryo-EM structure of succinate receptor bound to cis-epoxysuccinic acid coupling to Gi
Descriptor: (2R,3S)-oxirane-2,3-dicarboxylic acid, 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:Wang, T.X, Tang, W.Q, Li, F.H, Wang, J.Y.
Deposit date:2023-06-12
Release date:2024-05-22
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Molecular activation and G protein coupling selectivity of human succinate receptor SUCR1.
Cell Res., 2024
6AEM
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BU of 6aem by Molmil
Crystal structure of the PKD1 domain of Vibrio anguillarum Epp
Descriptor: CALCIUM ION, PKD domain, ZINC ION
Authors:Ma, Q, Li, P.
Deposit date:2018-08-05
Release date:2018-12-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.272 Å)
Cite:Structural basis for specific calcium binding by the polycystic-kidney-disease domain of Vibrio anguillarum protease Epp
Biochem. Biophys. Res. Commun., 505, 2018

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