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8XZI
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BU of 8xzi by Molmil
Cryo-EM structure of the CMF-019-bound human APLNR-Gi complex
分子名称: (3~{S})-5-methyl-3-[[1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]carbonylamino]hexanoic acid, Apelin receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Wang, W, Ji, S, Zhang, Y.
登録日2024-01-21
公開日2024-03-20
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structure-based design of non-hypertrophic apelin receptor modulator.
Cell, 187, 2024
8XZH
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BU of 8xzh by Molmil
Cryo-EM structure of the MM07-bound human APLNR-Gi complex
分子名称: Apelin receptor, 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, ...
著者Wang, W, Ji, S, Zhang, Y.
登録日2024-01-21
公開日2024-03-20
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Structure-based design of non-hypertrophic apelin receptor modulator.
Cell, 187, 2024
8IDE
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BU of 8ide by Molmil
Structure of an ancient TsaD-TsaC-SUA5-TcdA modular enzyme (TsaN)
分子名称: MANGANESE (II) ION, N(6)-L-threonylcarbamoyladenine synthase
著者Zhang, Z.L, Jin, M.Q, Yu, Z.J, Chen, W, Wang, X.L, Lei, D.S, Zhang, W.H.
登録日2023-02-13
公開日2023-07-26
最終更新日2023-09-20
実験手法ELECTRON MICROSCOPY (3.21 Å)
主引用文献Structure-function analysis of an ancient TsaD-TsaC-SUA5-TcdA modular enzyme reveals a prototype of tRNA t6A and ct6A synthetases.
Nucleic Acids Res., 51, 2023
6VXV
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BU of 6vxv by Molmil
Crystal structure of cyclo-L-Trp-L-Pro-bound cytochrome P450 NasF5053 from Streptomyces sp. NRRL F-5053
分子名称: (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Luo, Z, Jia, X, Sun, C, Qu, X, Kobe, B.
登録日2020-02-24
公開日2020-11-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Molecular basis of regio- and stereo-specificity in biosynthesis of bacterial heterodimeric diketopiperazines.
Nat Commun, 11, 2020
5DH3
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BU of 5dh3 by Molmil
Crystal structure of MST2 in complex with XMU-MP-1
分子名称: 4-[(5,10-dimethyl-6-oxo-6,10-dihydro-5H-pyrimido[5,4-b]thieno[3,2-e][1,4]diazepin-2-yl)amino]benzenesulfonamide, CHLORIDE ION, SULFATE ION, ...
著者Kong, L.L, Yun, C.H.
登録日2015-08-29
公開日2016-08-31
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.468 Å)
主引用文献Pharmacological targeting of kinases MST1 and MST2 augments tissue repair and regeneration
Sci Transl Med, 8, 2016
6W0S
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BU of 6w0s by Molmil
Crystal structure of substrate free cytochrome P450 NasF5053 from Streptomyces sp. NRRL F-5053
分子名称: BROMIDE ION, CHLORIDE ION, GLYCEROL, ...
著者Luo, Z, Jia, X, Sun, C, Qu, X, Kobe, B.
登録日2020-03-02
公開日2020-11-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Molecular basis of regio- and stereo-specificity in biosynthesis of bacterial heterodimeric diketopiperazines.
Nat Commun, 11, 2020
6ID1
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BU of 6id1 by Molmil
Cryo-EM structure of a human intron lariat spliceosome after Prp43 loaded (ILS2 complex) at 2.9 angstrom resolution
分子名称: 116 kDa U5 small nuclear ribonucleoprotein component, CWF19-like protein 2, Cell division cycle 5-like protein, ...
著者Zhang, X, Zhan, X, Yan, C, Shi, Y.
登録日2018-09-07
公開日2019-03-13
最終更新日2020-10-14
実験手法ELECTRON MICROSCOPY (2.86 Å)
主引用文献Structures of the human spliceosomes before and after release of the ligated exon.
Cell Res., 29, 2019
6PWW
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BU of 6pww by Molmil
Cryo-EM structure of MLL1 in complex with RbBP5 and WDR5 bound to the nucleosome
分子名称: DNA (146-MER), Histone H2A type 1, Histone H2B 1.1, ...
著者Park, S.H, Ayoub, A, Lee, Y.T, Xu, J, Zhang, W, Zhang, B, Zhang, Y, Cianfrocco, M.A, Su, M, Dou, Y, Cho, U.
登録日2019-07-23
公開日2019-12-18
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Cryo-EM structure of the human MLL1 core complex bound to the nucleosome.
Nat Commun, 10, 2019
3EWT
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BU of 3ewt by Molmil
Crystal Structure of calmodulin complexed with a peptide
分子名称: CALCIUM ION, Calmodulin, Tumor necrosis factor receptor superfamily member 6
著者Jiang, T, Cao, P, Gong, Y, Yu, H.J, Gui, W.J, Zhang, W.T.
登録日2008-10-16
公開日2009-10-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural insights into the mechanism of calmodulin binding to death receptors.
Acta Crystallogr.,Sect.D, 70, 2014
8VQR
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BU of 8vqr by Molmil
Crystal structure of chimeric SARS-CoV-2 RBD complexed with chimeric raccoon dog ACE2
分子名称: 1,2-ETHANEDIOL, 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Hsueh, F.-C, Shi, K, Aihara, H, Li, F.
登録日2024-01-19
公開日2024-05-01
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.565 Å)
主引用文献Structural basis for raccoon dog receptor recognition by SARS-CoV-2
To Be Published
8IBQ
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BU of 8ibq by Molmil
Bromodomain and Extra-terminal Domain (BET) BRD4
分子名称: 7-[2-fluoranyl-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1~{H}-imidazo[4,5-b]pyridine, Bromodomain-containing protein 4
著者Cao, D, Zhiyan, D, Xiong, B.
登録日2023-02-10
公開日2023-10-04
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Discovery of 1 H -Imidazo[4,5- b ]pyridine Derivatives as Potent and Selective BET Inhibitors for the Management of Neuropathic Pain.
J.Med.Chem., 66, 2023
8IDH
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BU of 8idh by Molmil
Bromodomain and Extra-terminal Domain (BET) BRD4
分子名称: 7-[2-fluoranyl-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1~{H}-imidazo[4,5-b]pyridine, Bromodomain-containing protein 4
著者Cao, D, Zhiyan, D, Xiong, B.
登録日2023-02-13
公開日2023-10-04
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Discovery of 1 H -Imidazo[4,5- b ]pyridine Derivatives as Potent and Selective BET Inhibitors for the Management of Neuropathic Pain.
J.Med.Chem., 66, 2023
6J1U
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BU of 6j1u by Molmil
influenza virus nucleoprotein with a specific inhibitor
分子名称: Nucleoprotein, ~{N}-[4-[(4-~{tert}-butylphenyl)carbonylamino]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
著者Pang, B, Zhang, W.Z, Zhang, H.M, Hao, Q.
登録日2018-12-29
公開日2020-01-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of a Novel Specific Inhibitor Targeting Influenza A Virus Nucleoprotein with Pleiotropic Inhibitory Effects on Various Steps of the Viral Life Cycle.
J.Virol., 95, 2021
4R9I
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BU of 4r9i by Molmil
Crystal structure of cysteine proteinase inhibitor Serpin18 from Bombyx mori
分子名称: BETA-MERCAPTOETHANOL, CITRATE ANION, SODIUM ION, ...
著者Guo, P.C, He, H.W, Zhao, P, Xia, Q.Y.
登録日2014-09-05
公開日2015-09-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural insights into the unique inhibitory mechanism of the silkworm protease inhibitor serpin18
Sci Rep, 5, 2015
6IJO
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BU of 6ijo by Molmil
Photosystem I of Chlamydomonas reinhardtii
分子名称: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
著者Pan, X, Ma, J, Su, X, Liu, Z, Zhang, X, Li, M.
登録日2018-10-10
公開日2019-03-20
最終更新日2019-05-01
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Antenna arrangement and energy transfer pathways of a green algal photosystem-I-LHCI supercomplex.
Nat Plants, 5, 2019
5KSI
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BU of 5ksi by Molmil
Crystal structure of deoxygenated hemoglobin in complex with sphingosine phosphate and 2,3-Bisphosphoglycerate
分子名称: (2R)-2,3-diphosphoglyceric acid, (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Hemoglobin subunit alpha, ...
著者Ahmed, M.H, Safo, M.K, Xia, Y.
登録日2016-07-08
公開日2017-07-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and Functional Insight of Sphingosine 1-Phosphate-Mediated Pathogenic Metabolic Reprogramming in Sickle Cell Disease.
Sci Rep, 7, 2017
4XNW
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BU of 4xnw by Molmil
The human P2Y1 receptor in complex with MRS2500
分子名称: P2Y purinoceptor 1,Rubredoxin,P2Y purinoceptor 1, ZINC ION, [(1R,2S,4S,5S)-4-[2-iodo-6-(methylamino)-9H-purin-9-yl]-2-(phosphonooxy)bicyclo[3.1.0]hex-1-yl]methyl dihydrogen phosphate
著者Zhang, D, Gao, Z, Jacobson, K, Han, G.W, Stevens, R, Zhao, Q, Wu, B, GPCR Network (GPCR)
登録日2015-01-16
公開日2015-04-01
最終更新日2020-02-05
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Two disparate ligand-binding sites in the human P2Y1 receptor
Nature, 520, 2015
4XNV
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BU of 4xnv by Molmil
The human P2Y1 receptor in complex with BPTU
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-[2-(2-tert-butylphenoxy)pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea, CHOLESTEROL, ...
著者Zhang, D, Gao, Z, Jacobson, K, Han, G.W, Stevens, R, Zhao, Q, Wu, B, GPCR Network (GPCR)
登録日2015-01-16
公開日2015-04-01
最終更新日2020-02-05
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Two disparate ligand-binding sites in the human P2Y1 receptor
Nature, 520, 2015
5QQP
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BU of 5qqp by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(5E,8S)-8-[(4S)-4-(3-chlorophenyl)-2-oxopiperidin-1-yl]-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate
分子名称: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
著者Sheriff, S.
登録日2019-05-20
公開日2019-09-18
最終更新日2021-05-12
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Structure based design of macrocyclic factor XIa inhibitors: Discovery of cyclic P1 linker moieties with improved oral bioavailability.
Bioorg.Med.Chem.Lett., 29, 2019
5QQO
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BU of 5qqo by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(5E,8S)-8-[(6R)-6-(3-chlorophenyl)-2-oxo-1,3-oxazinan-3-yl]-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate
分子名称: 1,2-ETHANEDIOL, Coagulation factor XI, MET-ASP-ASP-ASP-ASP-LYS-MET-ASP-ASN-GLU-CYS-THR-THR-LYS-ILE-LYS-PRO-ARG, ...
著者Sheriff, S.
登録日2019-05-20
公開日2019-09-18
最終更新日2021-05-12
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure based design of macrocyclic factor XIa inhibitors: Discovery of cyclic P1 linker moieties with improved oral bioavailability.
Bioorg.Med.Chem.Lett., 29, 2019
8IQC
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BU of 8iqc by Molmil
Crystal structure of AsfvPrimPol N-terminal Prim/Pol domain in complex with Mn2+
分子名称: MANGANESE (II) ION, Putative primase C962R
著者Shao, Z.W, Gan, J.H.
登録日2023-03-16
公開日2023-07-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures and implications of the C962R protein of African swine fever virus.
Nucleic Acids Res., 51, 2023
8IQI
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BU of 8iqi by Molmil
Structure of Full-Length AsfvPrimPol in Complex-Form
分子名称: DNA (32-MER), MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Shao, Z.W, Su, S.C, Gan, J.H.
登録日2023-03-16
公開日2023-07-26
最終更新日2023-11-29
実験手法ELECTRON MICROSCOPY (3.32 Å)
主引用文献Structures and implications of the C962R protein of African swine fever virus.
Nucleic Acids Res., 51, 2023
8IQH
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BU of 8iqh by Molmil
Structure of Full-Length AsfvPrimPol in Apo-Form
分子名称: Putative primase C962R
著者Shao, Z.W, Su, S.C, Gan, J.H.
登録日2023-03-16
公開日2023-07-26
最終更新日2023-11-29
実験手法ELECTRON MICROSCOPY (3.67 Å)
主引用文献Structures and implications of the C962R protein of African swine fever virus.
Nucleic Acids Res., 51, 2023
8IQD
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BU of 8iqd by Molmil
Crystal structure of AsfvPrimPol N-terminal Prim/Pol domain in complex with Mn2+ and dCTP
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, Putative primase C962R
著者Shao, Z.W, Gan, J.H.
登録日2023-03-16
公開日2023-07-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Structures and implications of the C962R protein of African swine fever virus.
Nucleic Acids Res., 51, 2023
8IQB
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BU of 8iqb by Molmil
Crystal structure of AsfvPrimPol N-terminal Prim/Pol domain
分子名称: Putative primase C962R
著者Shao, Z.W, Gan, J.H.
登録日2023-03-16
公開日2023-07-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Structures and implications of the C962R protein of African swine fever virus.
Nucleic Acids Res., 51, 2023

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