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7RPK
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BU of 7rpk by Molmil
Cryo-EM structure of murine Dispatched in complex with Sonic hedgehog
分子名称: (2S)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(hexanoyloxy)propyl hexanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Asarnow, D, Wang, Q, Ding, K, Cheng, Y, Beachy, P.A.
登録日2021-08-03
公開日2021-10-27
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Dispatched uses Na + flux to power release of lipid-modified Hedgehog.
Nature, 599, 2021
7RPI
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BU of 7rpi by Molmil
Cryo-EM structure of murine Dispatched 'T' conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, Lauryl Maltose Neopentyl Glycol, ...
著者Asarnow, D, Wang, Q, Ding, K, Cheng, Y, Beachy, P.A.
登録日2021-08-03
公開日2021-10-27
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Dispatched uses Na + flux to power release of lipid-modified Hedgehog.
Nature, 599, 2021
7RPH
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BU of 7rph by Molmil
Cryo-EM structure of murine Dispatched 'R' conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, Lauryl Maltose Neopentyl Glycol, ...
著者Asarnow, D, Wang, Q, Ding, K, Cheng, Y, Beachy, P.A.
登録日2021-08-03
公開日2021-10-27
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Dispatched uses Na + flux to power release of lipid-modified Hedgehog.
Nature, 599, 2021
7RPJ
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BU of 7rpj by Molmil
Cryo-EM structure of murine Dispatched NNN mutant
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, Protein dispatched homolog 1
著者Asarnow, D, Wang, Q, Ding, K, Cheng, Y, Beachy, P.A.
登録日2021-08-03
公開日2021-10-27
最終更新日2021-11-24
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Dispatched uses Na + flux to power release of lipid-modified Hedgehog.
Nature, 599, 2021
3JB6
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BU of 3jb6 by Molmil
In situ structures of the segmented genome and RNA polymerase complex inside a dsRNA virus
分子名称: GUANOSINE-5'-TRIPHOSPHATE, RNA-dependent RNA polymerase, VP1 CSP, ...
著者Zhang, X, Ding, K, Yu, X.K, Chang, W, Sun, J.C, Zhou, Z.H.
登録日2015-08-02
公開日2015-10-28
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献In situ structures of the segmented genome and RNA polymerase complex inside a dsRNA virus.
Nature, 527, 2015
3JB7
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BU of 3jb7 by Molmil
In situ structures of the segmented genome and RNA polymerase complex inside a dsRNA virus
分子名称: CPV RNA-dependent RNA polymerase, CYTIDINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Zhang, X, Ding, K, Yu, X.K, Chang, W, Sun, J.C, Zhou, Z.H.
登録日2015-08-03
公開日2015-10-28
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献In situ structures of the segmented genome and RNA polymerase complex inside a dsRNA virus.
Nature, 527, 2015
5V56
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BU of 5v56 by Molmil
2.9A XFEL structure of the multi-domain human smoothened receptor (with E194M mutation) in complex with TC114
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN MONONUCLEOTIDE, N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-4-nitro-2-(trifluoromethyl)benzamide, ...
著者Zhang, X, Zhao, F, Wu, Y, Yang, J, Han, G.W, Zhao, S, Ishchenko, A, Ye, L, Lin, X, Ding, K, Dharmarajan, V, Griffin, P.R, Gati, C, Nelson, G, Hunter, M.S, Hanson, M.A, Cherezov, V, Stevens, R.C, Tan, W, Tao, H, Xu, F.
登録日2017-03-13
公開日2017-05-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of a multi-domain human smoothened receptor in complex with a super stabilizing ligand.
Nat Commun, 8, 2017
5V57
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3.0A SYN structure of the multi-domain human smoothened receptor in complex with TC114
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, FLAVIN MONONUCLEOTIDE, N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-4-nitro-2-(trifluoromethyl)benzamide, ...
著者Zhang, X, Zhao, F, Wu, Y, Yang, J, Han, G.W, Zhao, S, Ishchenko, A, Ye, L, Lin, X, Ding, K, Dharmarajan, V, Griffin, P.R, Gati, C, Nelson, G, Hunter, M.S, Hanson, M.A, Cherezov, V, Stevens, R.C, Tan, W, Tao, H, Xu, F.
登録日2017-03-13
公開日2017-05-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of a multi-domain human smoothened receptor in complex with a super stabilizing ligand.
Nat Commun, 8, 2017
4PXQ
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BU of 4pxq by Molmil
Crystal structure of D-glucuronyl C5-epimerase in complex with heparin hexasaccharide
分子名称: 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, D-glucuronyl C5 epimerase B
著者Ke, J, Qin, Y, Gu, X, Tan, J, Brunzelle, J.S, Xu, H.E, Ding, K.
登録日2014-03-24
公開日2015-01-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and Functional Study of d-Glucuronyl C5-epimerase.
J.Biol.Chem., 290, 2015
4PW2
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BU of 4pw2 by Molmil
Crystal structure of D-glucuronyl C5 epimerase
分子名称: CITRIC ACID, D-glucuronyl C5 epimerase B
著者Ke, J, Qin, Y, Gu, X, Brunzelle, J.S, Xu, H.E, Ding, K.
登録日2014-03-18
公開日2015-01-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and Functional Study of d-Glucuronyl C5-epimerase.
J.Biol.Chem., 290, 2015
2KBN
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BU of 2kbn by Molmil
Solution NMR structure of the OB domain (residues 67-166) of MM0293 from Methanosarcina mazei. Northeast Structural Genomics Consortium target MaR214a.
分子名称: Conserved protein
著者Ramelot, T.A, Ding, K, Magliqui, M, Jiang, M, Ciccosanti, C, Xiao, R, Lui, J, Everett, J.K, Swapna, G, Acton, T.B, Rost, B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
登録日2008-12-03
公開日2009-07-07
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献NMR structure of the OB domain of mm0293 from the archea methanosarcina mazei
To be Published
2KCD
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BU of 2kcd by Molmil
Solution NMR structure of SSP0047 from Staphylococcus saprophyticus. Northeast Structural Genomics Consortium Target SyR6.
分子名称: Uncharacterized protein SSP0047
著者Ramelot, T.A, Ding, K, Chen, C.X, Jiang, M, Ciccosanti, C, Xiao, R, Liu, J, Baran, M.C, Swapna, G, Acton, T.B, Rost, B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
登録日2008-12-19
公開日2009-02-10
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution NMR structure of SSP0047 from Staphylococcus saprophyticus. Northeast Structural Genomics Consortium Target SyR6.
To be Published
2KEN
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BU of 2ken by Molmil
Solution NMR structure of the OB domain (residues 67-166) of MM0293 from Methanosarcina mazei. Northeast Structural Genomics Consortium target MaR214a.
分子名称: Conserved protein
著者Ramelot, T.A, Ding, K, Magliqui, M, Jiang, M, Ciccosanti, C, Xiao, R, Lui, J, Everett, J.K, Swapna, G, Acton, T.B, Rost, B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
登録日2009-01-30
公開日2009-02-10
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献NMR structure of the OB domain of MM0293 from the archea Methanosarcina mazei
To be Published
2K75
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BU of 2k75 by Molmil
Solution NMR structure of the OB domain of Ta0387 from Thermoplasma acidophilum. Northeast Structural Genomics Consortium target TaR80b.
分子名称: uncharacterized protein Ta0387
著者Ramelot, T.A, Ding, K, Lee, D, Jiang, M, Ciccosanti, C, Xiao, R, Nair, R, Everett, J.K, Swapna, G, Acton, T.B, Rost, B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
登録日2008-08-01
公開日2008-08-19
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution NMR structure of the OB domain of Ta0387 from Thermoplasma acidophilum.
To be Published
5XR8
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BU of 5xr8 by Molmil
Crystal structure of the human CB1 in complex with agonist AM841
分子名称: (6~{a}~{R},9~{R},10~{a}~{R})-9-(hydroxymethyl)-3-(8-isothiocyanato-2-methyl-octan-2-yl)-6,6-dimethyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-1-ol, CHOLESTEROL, Cannabinoid receptor 1,Flavodoxin,Cannabinoid receptor 1, ...
著者Hua, T, Vemuri, K, Nikas, P.S, Laprairie, R.B, Wu, Y, Qu, L, Pu, M, Korde, A, Shan, J, Ho, J.H, Han, G.W, Ding, K, Li, X, Liu, H, Hanson, M.A, Zhao, S, Bohn, L.M, Makriyannis, A, Stevens, R.C, Liu, Z.J.
登録日2017-06-07
公開日2017-07-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Crystal structures of agonist-bound human cannabinoid receptor CB1.
Nature, 547, 2017
2HJQ
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BU of 2hjq by Molmil
NMR Structure of Bacillus Subtilis Protein YqbF, Northeast Structural Genomics Target SR449
分子名称: Hypothetical protein yqbF
著者Ding, K, Ramelot, T.A, Cort, J.R, Wang, D, Janjua, H, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
登録日2006-06-30
公開日2007-06-05
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献NMR Structure of Bacillus Subtilis Protein YqbF, Northeast Structural Genomics Target SR449
TO BE PUBLISHED
5XAF
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BU of 5xaf by Molmil
Crystal structure of tubulin-stathmin-TTL-Compound Z1 complex
分子名称: (3S,4R)-4-(3-hydroxy-4-methoxyphenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Zhang, H, Luo, C, Wang, Y.
登録日2017-03-12
公開日2017-12-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.551 Å)
主引用文献Design, synthesis, biological evaluation and cocrystal structures with tubulin of chiral beta-lactam bridged combretastatin A-4 analogues as potent antitumor agents
Eur J Med Chem, 144, 2017
5XE1
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BU of 5xe1 by Molmil
Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with INCB14943
分子名称: 4-Amino-N-(3-chloro-4-fluorophenyl)-N'-hydroxy-1,2,5-oxadiazole-3-carboxamidine, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE
著者Xu, J, Wu, U, Liu, J.
登録日2017-03-31
公開日2017-05-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural insights into the binding mechanism of IDO1 with hydroxylamidine based inhibitor INCB14943
Biochem. Biophys. Res. Commun., 487, 2017
8H5Z
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BU of 8h5z by Molmil
Crystal structure of RadD/ATP analogue complex
分子名称: PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Putative DNA repair helicase RadD, ZINC ION
著者Yan, X.X, Tian, L.F.
登録日2022-10-14
公開日2023-10-18
実験手法X-RAY DIFFRACTION (3.00002718 Å)
主引用文献Biochemical and Structural Analyses Shed Light on the Mechanisms of RadD DNA Binding and Its ATPase from Escherichia coli.
Int J Mol Sci, 24, 2023
8H5Y
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BU of 8h5y by Molmil
Crystal structure of RadD- ADP complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Putative DNA repair helicase RadD, ...
著者Yan, X.X, Tian, L.F.
登録日2022-10-14
公開日2023-10-18
実験手法X-RAY DIFFRACTION (2.7001 Å)
主引用文献Biochemical and Structural Analyses Shed Light on the Mechanisms of RadD DNA Binding and Its ATPase from Escherichia coli.
Int J Mol Sci, 24, 2023
5T2A
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BU of 5t2a by Molmil
CryoEM structure of the Leishmania donovani 80S ribosome at 2.9 Angstrom resolution
分子名称: 18S rRNA, 5.8S rRNA, 5S rRNA, ...
著者Zhang, X, Lai, M, Zhou, Z.H.
登録日2016-08-23
公開日2017-01-25
最終更新日2018-07-18
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structures and stabilization of kinetoplastid-specific split rRNAs revealed by comparing leishmanial and human ribosomes.
Nat Commun, 7, 2016
5T2C
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BU of 5t2c by Molmil
CryoEM structure of the human ribosome at 3.6 Angstrom resolution
分子名称: 18S rRNA, 28S rRNA, 40S ribosomal protein S10, ...
著者Zhang, X, Lai, M, Zhou, Z.H.
登録日2016-08-23
公開日2017-01-25
最終更新日2023-08-16
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structures and stabilization of kinetoplastid-specific split rRNAs revealed by comparing leishmanial and human ribosomes.
Nat Commun, 7, 2016
6GWR
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BU of 6gwr by Molmil
Structure of the kinase domain of human DDR1 in complex with a potent and selective inhibitor of DDR1 and DDR2
分子名称: 1,2-ETHANEDIOL, 3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-propan-2-yl-benzamide, Epithelial discoidin domain-containing receptor 1, ...
著者Pinkas, D.M, Fox, A.E, Kupinska, K, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
登録日2018-06-25
公開日2018-08-08
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Design, Synthesis, and Biological Evaluation of 3-(Imidazo[1,2- a]pyrazin-3-ylethynyl)-4-isopropyl- N-(3-((4-methylpiperazin-1-yl)methyl)-5-(trifluoromethyl)phenyl)benzamide as a Dual Inhibitor of Discoidin Domain Receptors 1 and 2.
J. Med. Chem., 61, 2018
5OSG
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BU of 5osg by Molmil
Structure of KSRP in context of Leishmania donovani 80S
分子名称: 18S rRNA, 40S ribosomal protein S6, RNA binding protein, ...
著者Brito Querido, J, Mancera-Martinez, E, Vicens, Q, Bochler, A, Chicher, J, Simonetti, A, Hashem, Y.
登録日2017-08-17
公開日2017-11-15
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献The cryo-EM Structure of a Novel 40S Kinetoplastid-Specific Ribosomal Protein.
Structure, 25, 2017
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

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