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6LBE
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BU of 6lbe by Molmil
Crystal structure of bony fish MHC class I binding beta2M-2 for 2.6 angstrom
分子名称: 9-mer peptide from RNA-DIRECTED RNA POLYMERASE L, Beta-2-microglobulin, MHC class I antigen
著者Li, Z.B, Xia, C.
登録日2019-11-14
公開日2020-11-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The Mechanism of beta 2m Molecule-Induced Changes in the Peptide Presentation Profile in a Bony Fish.
Iscience, 23, 2020
6E4R
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BU of 6e4r by Molmil
Crystal Structure of the Drosophila Melanogaster Polypeptide N-Acetylgalactosaminyl Transferase PGANT9B
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
著者Samara, N.L, Tabak, L.A, Ten Hagen, K.G.
登録日2018-07-18
公開日2018-09-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.061 Å)
主引用文献A molecular switch orchestrates enzyme specificity and secretory granule morphology.
Nat Commun, 9, 2018
6E4Q
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Crystal Structure of the Drosophila Melanogaster Polypeptide N-Acetylgalactosaminyl Transferase PGANT9A in Complex with UDP and Mn2+
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
著者Samara, N.L, Tabak, L.A, Ten Hagen, K.G.
登録日2018-07-18
公開日2018-09-12
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.799 Å)
主引用文献A molecular switch orchestrates enzyme specificity and secretory granule morphology.
Nat Commun, 9, 2018
4WQ6
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BU of 4wq6 by Molmil
The crystal structure of human Nicotinamide phosphoribosyltransferase (NAMPT) in complex with N-(4-{(S)-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl}benzyl)furo[2,3-c]pyridine-2-carboxamide inhibitor (compound 21)
分子名称: 1,2-ETHANEDIOL, N-(4-{(S)-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl}benzyl)furo[2,3-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ...
著者Li, D, Wang, W.
登録日2014-10-21
公開日2015-02-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Identification of nicotinamide phosphoribosyltransferase (NAMPT) inhibitors with no evidence of CYP3A4 time-dependent inhibition and improved aqueous solubility.
Bioorg.Med.Chem.Lett., 25, 2015
6MC1
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BU of 6mc1 by Molmil
Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-(methylthio)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one, ACETATE ION, ...
著者Gannam, Z.T.K, Anderson, K.S, Bennett, A.M, Lolis, E.
登録日2018-08-30
公開日2020-08-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献An allosteric site on MKP5 reveals a strategy for small-molecule inhibition.
Sci.Signal., 13, 2020
4ZFC
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BU of 4zfc by Molmil
Crystal structure of AKR1C3 complexed with glicazide
分子名称: Aldo-keto reductase family 1 member C3, N-[(3aR,6aS)-hexahydrocyclopenta[c]pyrrol-2(1H)-ylcarbamoyl]-4-methylbenzenesulfonamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Zhao, Y, Zhrng, X, Hu, X.
登録日2015-04-21
公開日2015-11-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献In vitro inhibition of AKR1Cs by sulphonylureas and the structural basis
Chem.Biol.Interact., 240, 2015
7AXU
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BU of 7axu by Molmil
Structure of WDR5:CS-VIP8 cocrystal after illumination in situ
分子名称: WD repeat-containing protein 5
著者Werel, L, Essen, L.-O.
登録日2020-11-10
公開日2021-11-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Bistable Photoswitch Allows in Vivo Control of Hematopoiesis.
Acs Cent.Sci., 8, 2022
7AXQ
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Structure of the cryo-trapped WDR5:CS-VIP8 cocrystal after illumination at 405 nm and 180 K
分子名称: CS-VIP8, WD repeat-containing protein 5
著者Werel, L, Essen, L.-O.
登録日2020-11-10
公開日2021-12-15
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.562 Å)
主引用文献Bistable Photoswitch Allows in Vivo Control of Hematopoiesis.
Acs Cent.Sci., 8, 2022
7AXP
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BU of 7axp by Molmil
Structural characterisation of WDR5:CS-VIP8 interaction in cis state 2
分子名称: CS-VIP8, WD repeat-containing protein 5
著者Werel, L, Essen, L.-O.
登録日2020-11-10
公開日2021-12-15
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.432 Å)
主引用文献Bistable Photoswitch Allows in Vivo Control of Hematopoiesis.
Acs Cent.Sci., 8, 2022
7AXX
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BU of 7axx by Molmil
Structure of WDR5:CS-VIP8 crystal after illumination at 405 nm and room temperature
分子名称: (ALQ)(4FO)R(ABA)(DPN)(EDN)(S7Z), WD repeat-containing protein 5
著者Werel, L, Essen, L.-O.
登録日2020-11-10
公開日2021-12-15
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Bistable Photoswitch Allows in Vivo Control of Hematopoiesis.
Acs Cent.Sci., 8, 2022
7AXS
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BU of 7axs by Molmil
Structural characterisation of WDR5:CS-VIP8 interaction in cis state 1
分子名称: CS-VIP8, (ALQ)(4FO)R(ABA)(DPN)(EDN)(S7Z), WD repeat-containing protein 5
著者Werel, L, Essen, L.-O.
登録日2020-11-10
公開日2021-12-15
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Bistable Photoswitch Allows in Vivo Control of Hematopoiesis.
Acs Cent.Sci., 8, 2022
4YJN
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BU of 4yjn by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1639
分子名称: 5-amino-1-tert-butyl-3-[2-(cyclobutyloxy)quinolin-6-yl]-1H-pyrazole-4-carboxamide, Calmodulin-domain protein kinase 1
著者Merritt, E.A.
登録日2015-03-03
公開日2015-11-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献SAR Studies of 5-Aminopyrazole-4-carboxamide Analogues as Potent and Selective Inhibitors of Toxoplasma gondii CDPK1.
Acs Med.Chem.Lett., 6, 2015
5XMM
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BU of 5xmm by Molmil
FLA-E*01801-167W/S
分子名称: Beta-2-microglobulin, Gag polyprotein, MHC class I antigen alpha chain
著者Liang, R, Sun, Y, Wang, J, Wu, Y, Zhang, N, Xia, C.
登録日2017-05-15
公開日2017-12-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Major Histocompatibility Complex Class I (FLA-E*01801) Molecular Structure in Domestic Cats Demonstrates Species-Specific Characteristics in Presenting Viral Antigen Peptides
J. Virol., 92, 2018
5ZZD
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BU of 5zzd by Molmil
Crystal structure of a protein from Aspergillus flavus
分子名称: O-methyltransferase lepI, S-ADENOSYLMETHIONINE
著者Chang, Z.Y, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2018-05-31
公開日2019-06-05
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of LepI, a multifunctional SAM-dependent enzyme which catalyzes pericyclic reactions in leporin biosynthesis.
Org.Biomol.Chem., 17, 2019
5XMF
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BU of 5xmf by Molmil
Crystal structure of feline MHC class I for 2,1 angstrom
分子名称: Beta-2-microglobulin, Gag polyprotein, MHC class I antigen alpha chain
著者Liang, R, Sun, Y, Wang, J, Wu, Y, Zhang, N, Xia, C.
登録日2017-05-15
公開日2017-12-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Major Histocompatibility Complex Class I (FLA-E*01801) Molecular Structure in Domestic Cats Demonstrates Species-Specific Characteristics in Presenting Viral Antigen Peptides
J. Virol., 92, 2018
8KHD
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BU of 8khd by Molmil
The interface structure of Omicron RBD binding to 5817 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 5817, Light chain of 5817, ...
著者Cao, L, Wang, X.
登録日2023-08-21
公開日2024-04-17
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Identification of a broad sarbecovirus neutralizing antibody targeting a conserved epitope on the receptor-binding domain.
Cell Rep, 43, 2024
8KHC
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BU of 8khc by Molmil
SARS-CoV-2 Omicron spike in complex with 5817 Fab
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, Heavy chain of 5817 Fab, ...
著者Cao, L, Wang, X.
登録日2023-08-21
公開日2024-04-17
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Identification of a broad sarbecovirus neutralizing antibody targeting a conserved epitope on the receptor-binding domain.
Cell Rep, 43, 2024
5J8V
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BU of 5j8v by Molmil
Structure of rabbit ryanodine receptor RyR1 open state activated by calcium ion
分子名称: Ryanodine receptor 1
著者Wang, X, Wei, R, Yin, C, Sun, F.
登録日2016-04-08
公開日2016-09-14
最終更新日2019-12-11
実験手法ELECTRON MICROSCOPY (4.9 Å)
主引用文献Structural insights into Ca(2+)-activated long-range allosteric channel gating of RyR1
Cell Res., 26, 2016
6KZD
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BU of 6kzd by Molmil
Crystal structure of TRKc in complex with 3-((6-(4-aminophenyl)imidazo[1,2-a]pyrazin-3-yl)ethynyl)- N-(3-isopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-2- methylbenzamide
分子名称: 3-[2-[6-(4-aminophenyl)imidazo[1,2-a]pyrazin-3-yl]ethynyl]-2-methyl-~{N}-[3-(4-methylpiperazin-1-yl)-5-propan-2-yl-phenyl]benzamide, NT-3 growth factor receptor, PHOSPHATE ION
著者Wang, Y, Zhang, Z.M.
登録日2019-09-23
公開日2019-10-09
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.708 Å)
主引用文献Design, synthesis and biological evaluation of 3-(imidazo[1,2-a]pyrazin-3-ylethynyl)-2-methylbenzamides as potent and selective pan-tropomyosin receptor kinase (TRK) inhibitors.
Eur.J.Med.Chem., 179, 2019
4Q65
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BU of 4q65 by Molmil
Structure of the E. coli Peptide Transporter YbgH
分子名称: Dipeptide permease D
著者Zhang, C, Zhao, Y, Mao, G, Liu, M, Wang, X.
登録日2014-04-21
公開日2014-08-13
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Crystal structure of the E. coli peptide transporter YbgH.
Structure, 22, 2014
4FZF
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BU of 4fzf by Molmil
Crystal structure of MST4-MO25 complex with DKI
分子名称: 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE, Calcium-binding protein 39, Serine/threonine-protein kinase MST4
著者Shi, Z.B, Zhou, Z.C.
登録日2012-07-06
公開日2013-03-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.64 Å)
主引用文献Structure of the MST4 in Complex with MO25 Provides Insights into Its Activation Mechanism
Structure, 21, 2013
4FZD
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Crystal structure of MST4-MO25 complex with WSF motif
分子名称: C-terminal peptide from Serine/threonine-protein kinase MST4, Calcium-binding protein 39, GLYCEROL, ...
著者Shi, Z.B, Zhou, Z.C.
登録日2012-07-06
公開日2013-03-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Structure of the MST4 in Complex with MO25 Provides Insights into Its Activation Mechanism
Structure, 21, 2013
4M84
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BU of 4m84 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1455
分子名称: 5-amino-1-tert-butyl-3-(quinolin-2-yl)-1H-pyrazole-4-carboxamide, Calmodulin-domain protein kinase 1
著者Merritt, E.A.
登録日2013-08-12
公開日2013-10-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.998 Å)
主引用文献Potent and selective inhibitors of CDPK1 from T. gondii and C. parvum based on a 5-aminopyrazole-4-carboxamide scaffold.
ACS Med Chem Lett, 5, 2014
7AT6
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BU of 7at6 by Molmil
Structure of thaumatin collected by femtosecond serial crystallography on a COC membrane
分子名称: L(+)-TARTARIC ACID, R-1,2-PROPANEDIOL, SODIUM ION, ...
著者Martiel, I, Marsh, M, Vera, L, Huang, C.Y, Olieric, V, Leonarski, P, Nass, K, Padeste, C, Karpik, A, Wang, M, Pedrini, B.
登録日2020-10-29
公開日2021-11-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Commissioning results from the SwissMX instrument for fixed target macromolecular crystallography at SwissFEL
To Be Published
3V51
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BU of 3v51 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor RM-1-176
分子名称: 3-{6-[(3-chlorobenzyl)oxy]naphthalen-2-yl}-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
著者Merritt, E.A, Larson, E.T.
登録日2011-12-15
公開日2012-03-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012

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