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7YFF
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BU of 7yff by Molmil
Structure of GluN1a-GluN2D NMDA receptor in complex with agonist glycine and competitive antagonist CPP.
分子名称: (2R)-4-(3-phosphonopropyl)piperazine-2-carboxylic 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Zhang, J.L, Zhu, S.J, Zhang, M.
登録日2022-07-08
公開日2023-04-12
最終更新日2023-08-02
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Distinct structure and gating mechanism in diverse NMDA receptors with GluN2C and GluN2D subunits.
Nat.Struct.Mol.Biol., 30, 2023
7W5W
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BU of 7w5w by Molmil
Cryo-EM structure of SoxS-dependent transcription activation complex with micF promoter DNA
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Lin, W, Feng, Y.
登録日2021-11-30
公開日2022-10-26
最終更新日2022-11-16
実験手法ELECTRON MICROSCOPY (4.55 Å)
主引用文献Structural basis of three different transcription activation strategies adopted by a single regulator SoxS.
Nucleic Acids Res., 50, 2022
7W5Y
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BU of 7w5y by Molmil
Cryo-EM structure of SoxS-dependent transcription activation complex with fpr promoter DNA
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Lin, W, Feng, Y.
登録日2021-11-30
公開日2022-10-26
最終更新日2022-11-16
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Structural basis of three different transcription activation strategies adopted by a single regulator SoxS.
Nucleic Acids Res., 50, 2022
7W5X
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BU of 7w5x by Molmil
Cryo-EM structure of SoxS-dependent transcription activation complex with zwf promoter DNA
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Lin, W, Feng, Y, Shi, J.
登録日2021-11-30
公開日2022-10-26
最終更新日2022-11-16
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural basis of three different transcription activation strategies adopted by a single regulator SoxS.
Nucleic Acids Res., 50, 2022
3SJB
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BU of 3sjb by Molmil
Crystal structure of S. cerevisiae Get3 in the open state in complex with Get1 cytosolic domain
分子名称: ATPase GET3, Golgi to ER traffic protein 1, PHOSPHATE ION, ...
著者Reitz, S, Wild, K, Sinning, I.
登録日2011-06-21
公開日2011-07-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structural basis for tail-anchored membrane protein biogenesis by the Get3-receptor complex.
Science, 333, 2011
3SJD
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BU of 3sjd by Molmil
Crystal structure of S. cerevisiae Get3 with bound ADP-Mg2+ in complex with Get2 cytosolic domain
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATPase GET3, Golgi to ER traffic protein 2, ...
著者Reitz, S, Wild, K, Sinning, I.
登録日2011-06-21
公開日2011-07-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (4.6 Å)
主引用文献Structural basis for tail-anchored membrane protein biogenesis by the Get3-receptor complex.
Science, 333, 2011
4BBG
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BU of 4bbg by Molmil
Crystal structure of human kinesin Eg5 in complex with 3-(((2-Aminoethyl)sulfanyl)(3-ethylphenyl) phenylmethyl)phenol
分子名称: 3-[(R)-2-azanylethylsulfanyl-(3-ethylphenyl)-phenyl-methyl]phenol, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
著者Kaan, H.Y.K, Kozielski, F.
登録日2012-09-22
公開日2013-05-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Optimized S-Trityl-L-Cysteine-Based Inhibitors of Kinesin Spindle Protein with Potent in Vivo Antitumor Activity in Lung Cancer Xenograft Models.
J.Med.Chem., 56, 2013
4ES4
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BU of 4es4 by Molmil
Crystal structure of YdiV and FlhD complex
分子名称: Flagellar transcriptional regulator FlhD, Putative cyclic di-GMP regulator CdgR
著者Li, B, Gu, L.
登録日2012-04-22
公開日2012-10-10
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural insight of a concentration-dependent mechanism by which YdiV inhibits Escherichia coli flagellum biogenesis and motility
Nucleic Acids Res., 40, 2012
5Y3X
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BU of 5y3x by Molmil
Crystal structure of endo-1,4-beta-xylanase from Caldicellulosiruptor owensensis
分子名称: Beta-xylanase
著者Liu, X, Sun, L.C, Zhang, Y.B, Liu, T.F, Xin, F.J.
登録日2017-07-31
公開日2017-12-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Insights into the Thermophilic Adaption Mechanism of Endo-1,4-beta-Xylanase from Caldicellulosiruptor owensensis.
J. Agric. Food Chem., 66, 2018
8JZF
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BU of 8jzf by Molmil
PSI-AcpPCI supercomplex from Symbiodinium
分子名称: (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
著者Li, X.Y, Li, Z.H, Wang, W.D.
登録日2023-07-05
公開日2024-02-28
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structures and organizations of PSI-AcpPCI supercomplexes from red tidal and coral symbiotic photosynthetic dinoflagellates.
Proc.Natl.Acad.Sci.USA, 121, 2024
8JZE
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BU of 8jze by Molmil
PSI-AcpPCI supercomplex from Symbiodinium
分子名称: (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
著者Li, Z.H, Li, X.Y, Wang, W.D.
登録日2023-07-05
公開日2024-02-28
実験手法ELECTRON MICROSCOPY (2.99 Å)
主引用文献Structures and organizations of PSI-AcpPCI supercomplexes from red tidal and coral symbiotic photosynthetic dinoflagellates.
Proc.Natl.Acad.Sci.USA, 121, 2024
8JW0
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BU of 8jw0 by Molmil
PSI-AcpPCI supercomplex from Amphidinium carterae
分子名称: (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
著者Li, Z.H, Li, X.Y, Wang, W.D.
登録日2023-06-28
公開日2024-02-28
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structures and organizations of PSI-AcpPCI supercomplexes from red tidal and coral symbiotic photosynthetic dinoflagellates.
Proc.Natl.Acad.Sci.USA, 121, 2024
5YS3
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BU of 5ys3 by Molmil
1.8 angstrom crystal structure of Succinate-Acetate Permease from Citrobacter koseri
分子名称: (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, ACETATE ION, PALMITIC ACID, ...
著者Qiu, B, Liao, J.
登録日2017-11-13
公開日2018-04-25
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.823 Å)
主引用文献Succinate-acetate permease from Citrobacter koseri is an anion channel that unidirectionally translocates acetate
Cell Res., 28, 2018
5YS8
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BU of 5ys8 by Molmil
2.8 angstrom crystal structure of Succinate-Acetate Permease from Citrobacter koseri
分子名称: (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, ACETATE ION, Succinate-Acetate Permease
著者Qiu, B, Liao, J.
登録日2017-11-13
公開日2018-11-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.798 Å)
主引用文献Succinate-acetate permease from Citrobacter koseri is an anion channel that unidirectionally translocates acetate
Cell Res., 28, 2018
3DLZ
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BU of 3dlz by Molmil
Crystal structure of human haspin in complex with AMP
分子名称: 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, ...
著者Filippakopoulos, P, Eswaran, J, Keates, T, Burgess-Brown, N, Murray, J.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Wickstroem, M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2008-06-30
公開日2008-07-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure and functional characterization of the atypical human kinase haspin.
Proc.Natl.Acad.Sci.USA, 106, 2009
7CMW
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BU of 7cmw by Molmil
Complex structure of PARP1 catalytic domain with pamiparib
分子名称: (2R)-14-fluoro-2-methyl-6,9,10,19-tetrazapentacyclo[14.2.1.02,6.08,18.012,17]nonadeca-1(18),8,12(17),13,15-pentaen-11-one, GLYCEROL, Poly [ADP-ribose] polymerase 1
著者Feng, Y.C, Peng, H, Hong, Y, Liu, Y.
登録日2020-07-29
公開日2020-12-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of Pamiparib (BGB-290), a Potent and Selective Poly (ADP-ribose) Polymerase (PARP) Inhibitor in Clinical Development.
J.Med.Chem., 63, 2020
6J6M
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BU of 6j6m by Molmil
Co-crystal structure of BTK kinase domain with Zanubrutinib
分子名称: (7S)-2-(4-phenoxyphenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, IMIDAZOLE, Tyrosine-protein kinase BTK
著者Zhou, X, Hong, Y.
登録日2019-01-15
公開日2019-10-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase.
J.Med.Chem., 62, 2019
8HHU
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BU of 8hhu by Molmil
Crystal structure of the SARS-CoV-2 main protease in complex with SY110
分子名称: (1~{R})-3,3-bis(fluoranyl)-~{N}-[(2~{R})-3-methoxy-1-oxidanylidene-1-[[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]amino]propan-2-yl]cyclohexane-1-carboxamide, 3C-like proteinase nsp5
著者Zeng, R, Xie, L.W, Huang, C, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J.
登録日2022-11-17
公開日2023-03-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.258 Å)
主引用文献A new generation M pro inhibitor with potent activity against SARS-CoV-2 Omicron variants.
Signal Transduct Target Ther, 8, 2023
8HHT
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BU of 8hht by Molmil
Crystal structure of the SARS-CoV-2 main protease in complex with Hit-1
分子名称: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]benzamide
著者Zeng, R, Xie, L.W, Huang, C, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J.
登録日2022-11-17
公開日2023-03-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献A new generation M pro inhibitor with potent activity against SARS-CoV-2 Omicron variants.
Signal Transduct Target Ther, 8, 2023
5YMV
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BU of 5ymv by Molmil
Crystal structure of 9-mer peptide from influenza virus in complex with BF2*1201
分子名称: ALA-VAL-LYS-GLY-VAL-GLY-THR-MET-VAL, Beta-2-microglobulin, Class I histocompatibility antigen, ...
著者Xiao, J, Xiang, W, Qi, J, Chai, Y, Liu, W.J, Gao, G.F.
登録日2017-10-22
公開日2018-10-24
最終更新日2019-07-31
実験手法X-RAY DIFFRACTION (2.197 Å)
主引用文献An Invariant Arginine in Common with MHC Class II Allows Extension at the C-Terminal End of Peptides Bound to Chicken MHC Class I.
J Immunol., 201, 2018
5YMW
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BU of 5ymw by Molmil
Crystal structure of 8-mer peptide from Rous sarcoma virus in complex with BF2*1201
分子名称: Beta-2-microglobulin, Class I histocompatibility antigen, F10 alpha chain, ...
著者Xiao, J, Xiang, W, Qi, J, Chai, Y, Liu, W.J, Gao, G.F.
登録日2017-10-22
公開日2018-10-24
最終更新日2019-07-31
実験手法X-RAY DIFFRACTION (1.997 Å)
主引用文献An Invariant Arginine in Common with MHC Class II Allows Extension at the C-Terminal End of Peptides Bound to Chicken MHC Class I.
J Immunol., 201, 2018
5H4B
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BU of 5h4b by Molmil
Crystal structure of Cbln4
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cerebellin-4
著者Zhong, C, Shen, J, Zhang, H, Ding, J.
登録日2016-10-31
公開日2017-09-13
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Cbln1 and Cbln4 Are Structurally Similar but Differ in GluD2 Binding Interactions.
Cell Rep, 20, 2017
5YLS
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BU of 5yls by Molmil
Crystal structure of T2R-TTL-Y50 complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, E-3-(3-azanyl-4-methoxy-phenyl)-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)prop-2-en-1-one, ...
著者Yang, J.H, Chen, L.J.
登録日2017-10-18
公開日2018-04-11
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The compound millepachine and its derivatives inhibit tubulin polymerization by irreversibly binding to the colchicine-binding site in beta-tubulin.
J. Biol. Chem., 293, 2018
5YLJ
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BU of 5ylj by Molmil
Crystal structure of T2R-TTL-Millepachine complex
分子名称: (E)-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)-3-(4-methoxyphenyl)prop-2-en-1-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Yang, J.H, Chen, L.J.
登録日2017-10-17
公開日2018-04-11
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The compound millepachine and its derivatives inhibit tubulin polymerization by irreversibly binding to the colchicine-binding site in beta-tubulin.
J. Biol. Chem., 293, 2018
3R4O
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BU of 3r4o by Molmil
Optimization of Potent, Selective, and Orally Bioavailable Pyrrolodinopyrimidine-containing Inhibitors of Heat Shock Protein 90. Identification of Development Candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
分子名称: 2-amino-N-cyclobutyl-4-[2,4-dichloro-6-(4,4,4-trifluorobutoxy)phenyl]-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide, Heat shock protein HSP 90-alpha
著者Gajiwala, K.S.
登録日2011-03-17
公開日2011-04-27
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Optimization of potent, selective, and orally bioavailable pyrrolodinopyrimidine-containing inhibitors of heat shock protein 90. Identification of development candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide.
J.Med.Chem., 54, 2011

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