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5T1N
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BU of 5t1n by Molmil
Solution-state NMR structural ensemble of NPr (1-85) refined with RDCs and PCS
分子名称: Phosphocarrier protein NPr
著者Strickland, M, Wang, G, Peterkofsky, A, Tjandra, N.
登録日2016-08-19
公開日2016-11-16
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structure of the NPr:EIN(Ntr) Complex: Mechanism for Specificity in Paralogous Phosphotransferase Systems.
Structure, 24, 2016
2Q9Q
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BU of 2q9q by Molmil
The crystal structure of full length human GINS complex
分子名称: DNA replication complex GINS protein PSF1, DNA replication complex GINS protein PSF2, GINS complex subunit 3, ...
著者Chang, Y.P, Wang, G, Chen, X.S.
登録日2007-06-13
公開日2007-08-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Crystal structure of the GINS complex and functional insights into its role in DNA replication.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2NDO
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BU of 2ndo by Molmil
Structure of EcDsbA-sulfonamide1 complex
分子名称: 2-{[(4-iodophenyl)sulfonyl]amino}benzoic acid, Thiol:disulfide interchange protein DsbA
著者Williams, M.L, Doak, B.C, Vazirani, M, Ilyichova, O, Wang, G, Bermel, W, Simpson, J.S, Chalmers, D.K, King, G.F, Mobli, M, Scanlon, M.J.
登録日2016-08-22
公開日2017-02-08
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Determination of ligand binding modes in weak protein-ligand complexes using sparse NMR data.
J.Biomol.Nmr, 66, 2016
7EXT
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BU of 7ext by Molmil
Cryo-EM structure of cyanobacterial phycobilisome from Synechococcus sp. PCC 7002
分子名称: Allophycocyanin alpha subunit, Allophycocyanin beta subunit, Allophycocyanin subunit alpha-B, ...
著者Zheng, L, Zheng, Z, Li, X, Wang, G, Zhang, K, Wei, P, Zhao, J, Gao, N.
登録日2021-05-28
公開日2021-10-06
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural insight into the mechanism of energy transfer in cyanobacterial phycobilisomes.
Nat Commun, 12, 2021
7EYD
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BU of 7eyd by Molmil
Cryo-EM structure of cyanobacterial phycobilisome from Anabaena sp. PCC 7120
分子名称: Allophycocyanin subunit alpha 1, Allophycocyanin subunit alpha-B, Allophycocyanin subunit beta, ...
著者Zheng, L, Zheng, Z, Li, X, Wang, G, Zhang, K, Wei, P, Zhao, J, Gao, N.
登録日2021-05-30
公開日2021-10-06
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural insight into the mechanism of energy transfer in cyanobacterial phycobilisomes.
Nat Commun, 12, 2021
7XBK
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BU of 7xbk by Molmil
Structure and mechanism of a mitochondrial AAA+ disaggregase CLPB
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Isoform 2 of Caseinolytic peptidase B protein homolog, MAGNESIUM ION, ...
著者Wu, D, Liu, Y, Dai, Y, Wang, G, Lu, G, Chen, Y, Li, N, Lin, J, Gao, N.
登録日2022-03-21
公開日2023-01-25
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Comprehensive structural characterization of the human AAA+ disaggregase CLPB in the apo- and substrate-bound states reveals a unique mode of action driven by oligomerization.
Plos Biol., 21, 2023
5T1O
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BU of 5t1o by Molmil
Solution-state NMR and SAXS structural ensemble of NPr (1-85) in complex with EIN-Ntr (170-424)
分子名称: Phosphocarrier protein NPr, Phosphoenolpyruvate-protein phosphotransferase PtsP
著者Strickland, M, Stanley, A.M, Wang, G, Schwieters, C.D, Buchanan, S, Peterkofsky, A, Tjandra, N.
登録日2016-08-19
公開日2016-11-16
最終更新日2024-05-15
実験手法SOLUTION NMR, SOLUTION SCATTERING
主引用文献Structure of the NPr:EIN(Ntr) Complex: Mechanism for Specificity in Paralogous Phosphotransferase Systems.
Structure, 24, 2016
7XBI
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BU of 7xbi by Molmil
The crystal structure of human TrkA kinase bound to the inhibitor
分子名称: 4-[[2-fluoranyl-5-(trifluoromethyl)phenyl]carbamoylamino]-~{N}-[3-(1-methylpyrazol-4-yl)-1~{H}-indazol-5-yl]-2-(trifluoromethyl)benzamide, CHLORIDE ION, High affinity nerve growth factor receptor
著者Wu, C.Y, Wang, G, Ouyang, L.
登録日2022-03-21
公開日2023-03-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献The crystal structure of human TrkA kinase bound to the inhibitor
To be published
7XED
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BU of 7xed by Molmil
Crystal Structure of OsCIE1-Ubox and OsUBC8 complex
分子名称: U-box domain-containing protein 12, UBC core domain-containing protein
著者Zhang, Y, Yu, C.Z.
登録日2022-03-30
公開日2023-10-04
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Release of a ubiquitin brake activates OsCERK1-triggered immunity in rice.
Nature, 629, 2024
4G2Y
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BU of 4g2y by Molmil
Crystal structure of PDE5A complexed with its inhibitor
分子名称: 2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
著者Ren, J, Chen, T.T, Xu, Y.C.
登録日2012-07-13
公開日2013-06-26
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Design, synthesis, and pharmacological evaluation of monocyclic pyrimidinones as novel inhibitors of PDE5.
J.Med.Chem., 55, 2012
4G2W
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BU of 4g2w by Molmil
Crystal structure of PDE5A in complex with its inhibitor
分子名称: 5,6-diethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
著者Ren, J, Chen, T.T, Xu, Y.C.
登録日2012-07-13
公開日2013-06-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Design, synthesis, and pharmacological evaluation of monocyclic pyrimidinones as novel inhibitors of PDE5.
J.Med.Chem., 55, 2012
8HPB
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BU of 8hpb by Molmil
NMR Structure of OsCIE1-Ubox S237D mutant
分子名称: U-box domain-containing protein 12
著者Zhang, Y, Yu, C.Z, Lan, W.X.
登録日2022-12-12
公開日2023-12-20
最終更新日2024-06-12
実験手法SOLUTION NMR
主引用文献Release of a ubiquitin brake activates OsCERK1-triggered immunity in rice.
Nature, 629, 2024
8HQB
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BU of 8hqb by Molmil
NMR Structure of OsCIE1-Ubox
分子名称: U-box domain-containing protein 12
著者Zhang, Y, Yu, C.Z, Lan, W.X.
登録日2022-12-13
公開日2023-12-20
最終更新日2024-06-12
実験手法SOLUTION NMR
主引用文献Release of a ubiquitin brake activates OsCERK1-triggered immunity in rice.
Nature, 629, 2024
7FJ1
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BU of 7fj1 by Molmil
Cryo-EM structure of pseudorabies virus C-capsid
分子名称: Capsid vertex component 1, DNA packaging tegument protein UL25, Major capsid protein, ...
著者Zheng, Q, Li, S, Zha, Z, Sun, H.
登録日2021-08-02
公開日2022-06-22
実験手法ELECTRON MICROSCOPY (4.43 Å)
主引用文献Structures of pseudorabies virus capsids.
Nat Commun, 13, 2022
7FJ3
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BU of 7fj3 by Molmil
Cryo-EM structure of PRV A-capid
分子名称: Major capsid protein, Small capsomere-interacting protein, Triplex capsid protein 1, ...
著者Zheng, Q, Li, S, Zha, Z, Sun, H.
登録日2021-08-02
公開日2022-06-22
実験手法ELECTRON MICROSCOPY (4.53 Å)
主引用文献Structures of pseudorabies virus capsids.
Nat Commun, 13, 2022
7V6Y
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BU of 7v6y by Molmil
Cryo-EM structure of Patched in lipid nanodisc - the wildtype, 3.5 angstrom (re-processed with dataset of 7dzq)
分子名称: (2S)-2-azanyl-3-[[(2S)-3-butanoyloxy-2-dec-9-enoyloxy-propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Luo, Y, Zhao, Y, Qu, Q, Li, D.
登録日2021-08-20
公開日2021-09-22
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM study of patched in lipid nanodisc suggests a structural basis for its clustering in caveolae.
Structure, 29, 2021
7V6Z
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BU of 7v6z by Molmil
Cryo-EM structure of Patched1 (V1084A mutant) in lipid nanodisc, 3.64 angstrom (reprocessed with the dataset of 7dzp)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ...
著者Luo, Y, Zhao, Y, Qu, Q, Li, D.
登録日2021-08-20
公開日2021-09-22
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (3.64 Å)
主引用文献Cryo-EM study of patched in lipid nanodisc suggests a structural basis for its clustering in caveolae.
Structure, 29, 2021
7W4Y
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BU of 7w4y by Molmil
Crystal structure of PDE4D catalytic domain complexed with 33a
分子名称: (2R,4S)-6-ethyl-2-(2-hydroxyethyl)-2,8-dimethyl-4-(2-methylprop-1-enyl)-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-5-one, MAGNESIUM ION, ZINC ION, ...
著者Huang, Y.-Y, Luo, H.-B.
登録日2021-11-29
公開日2022-03-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.10002947 Å)
主引用文献Discovery and Structural Optimization of Toddacoumalone Derivatives as Novel PDE4 Inhibitors for the Topical Treatment of Psoriasis.
J.Med.Chem., 65, 2022
7W4X
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BU of 7w4x by Molmil
Crystal structure of PDE4D catalytic domain complexed with 17
分子名称: (2R,4S)-2-(2-hydroxyethyl)-2,6-dimethyl-4-(2-methylprop-1-enyl)-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-5-one, MAGNESIUM ION, ZINC ION, ...
著者Huang, Y.-Y, Luo, H.-B.
登録日2021-11-29
公開日2022-03-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.20007324 Å)
主引用文献Discovery and Structural Optimization of Toddacoumalone Derivatives as Novel PDE4 Inhibitors for the Topical Treatment of Psoriasis.
J.Med.Chem., 65, 2022
8Z9A
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BU of 8z9a by Molmil
Cryo-EM structure of the insect olfactory receptor OR5-Orco heterocomplex from Acyrthosiphon pisum bound with geranyl acetate
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Odorant receptor, ApisOR5, ...
著者Wang, Y.D, Qiu, L, Guan, Z.Y, Wang, Q, Wang, G.R, Yin, P.
登録日2024-04-23
公開日2024-06-19
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis for odorant recognition of the insect odorant receptor OR-Orco heterocomplex.
Science, 384, 2024
8Z9Z
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BU of 8z9z by Molmil
Cryo-EM structure of the insect olfactory receptor OR5-Orco heterocomplex from Acyrthosiphon pisum
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Odorant receptor, ApisOR5, ...
著者Wang, Y.D, Qiu, L, Guan, Z.Y, Wang, Q, Wang, G.R, Yin, P.
登録日2024-04-24
公開日2024-06-19
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural basis for odorant recognition of the insect odorant receptor OR-Orco heterocomplex.
Science, 384, 2024
4OEW
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BU of 4oew by Molmil
Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors
分子名称: 6-ethyl-5-iodo-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ...
著者Chen, T.T, Ren, J, Xu, Y.C.
登録日2014-01-14
公開日2015-04-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Thermodynamic and structural characterization of halogen bonding in protein-ligand interactions: a case study of PDE5 and its inhibitors.
J.Med.Chem., 57, 2014
6LJJ
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BU of 6ljj by Molmil
Swine dUTPase in complex with alpha,beta-iminodUTP and magnesium ion
分子名称: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial isoform 1, ...
著者Liang, R, Peng, G.Q.
登録日2019-12-16
公開日2020-11-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structural comparisons of host and African swine fever virus dUTPases reveal new clues for inhibitor development.
J.Biol.Chem., 296, 2020
5DDT
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BU of 5ddt by Molmil
Crystal structure of IspD from Bacillus subtilis at 1.80 Angstroms resolution, crystal form I
分子名称: 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase
著者Jin, Y, Liu, Z.C, Wang, G.G.
登録日2015-08-25
公開日2016-08-31
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A structural and functional study on the 2-C-methyl-d-erythritol-4-phosphate cytidyltransferase (IspD) from Bacillus subtilis.
Sci Rep, 6, 2016
6PLI
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BU of 6pli by Molmil
Crystal Structure of EcDsbA in a complex with purified oxadiazole 11
分子名称: 2-[4-(4-cyano-3-methylphenoxy)phenyl]-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide, COPPER (II) ION, Thiol:disulfide interchange protein DsbA
著者Ilyichova, O.V, Bentley, M, Doak, B, Scanlon, M.J.
登録日2019-07-01
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiL X ).
J.Med.Chem., 63, 2020

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