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6LIL
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BU of 6lil by Molmil
Crystal structure of human PDK2 complexed with an allosteric inhibitor compound 8c
分子名称: 1-(1-piperidin-4-ylpyrazol-4-yl)anthracene-9,10-dione, CITRATE ANION, DI(HYDROXYETHYL)ETHER, ...
著者Kang, J, Kim, J.
登録日2019-12-12
公開日2020-09-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structural basis for the inhibition of PDK2 by novel ATP- and lipoyl-binding site targeting compounds.
Biochem.Biophys.Res.Commun., 527, 2020
6MD4
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BU of 6md4 by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Rosiglitazone and Oleic acid
分子名称: 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), OLEIC ACID, ...
著者Shang, J, Kojetin, D.J.
登録日2018-09-03
公開日2019-01-09
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Cooperative cobinding of synthetic and natural ligands to the nuclear receptor PPAR gamma.
Elife, 7, 2018
6MD1
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BU of 6md1 by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with GW9662 and Oleic acid
分子名称: 2-chloro-5-nitro-N-phenylbenzamide, OLEIC ACID, Peroxisome proliferator-activated receptor gamma
著者Shang, J, Kojetin, D.J.
登録日2018-09-03
公開日2019-01-09
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Cooperative cobinding of synthetic and natural ligands to the nuclear receptor PPAR gamma.
Elife, 7, 2018
6MCZ
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BU of 6mcz by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Arachidonic Acid
分子名称: ARACHIDONIC ACID, Peroxisome proliferator-activated receptor gamma
著者Shang, J, Kojetin, D.J.
登録日2018-09-03
公開日2019-01-09
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Cooperative cobinding of synthetic and natural ligands to the nuclear receptor PPAR gamma.
Elife, 7, 2018
4EQE
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BU of 4eqe by Molmil
Crystal structure of histidine triad nucleotide-binding protein 1 (HINT1) from human complexed with Lys-AMS
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-O-[(L-LYSYLAMINO)SULFONYL]ADENOSINE, Histidine triad nucleotide-binding protein 1
著者Wang, J, Fang, P, Guo, M.
登録日2012-04-18
公開日2012-05-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Side chain independent recognition of aminoacyl adenylates by the hint1 transcription suppressor.
J.Phys.Chem.B, 116, 2012
4EQH
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BU of 4eqh by Molmil
Crystal structure of histidine triad nucleotide-binding protein 1 (HINT1) from human complexed with Trp-AMS
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-O-[(L-TRYPTOPHYLAMINO)SULFONYL]ADENOSINE, Histidine triad nucleotide-binding protein 1
著者Wang, J, Fang, P, Guo, M.
登録日2012-04-18
公開日2012-05-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.668 Å)
主引用文献Side chain independent recognition of aminoacyl adenylates by the hint1 transcription suppressor.
J.Phys.Chem.B, 116, 2012
8XHO
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BU of 8xho by Molmil
Deep sea bacterial PET plastic hydrolase MtCut with mutation S178C
分子名称: CALCIUM ION, PET plastic hydrolase
著者Yang, J.
登録日2023-12-18
公開日2024-04-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Deep sea bacterial PET plastic hydrolase MtCut with mutation S178C
To Be Published
8ZKC
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BU of 8zkc by Molmil
iron-sulfur cluster transfer protein ApbC
分子名称: GLYCEROL, Iron-sulfur cluster carrier protein, MAGNESIUM ION
著者Yang, J, Liu, L.
登録日2024-05-16
公開日2024-06-12
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Crystal structure of the iron-sulfur cluster transfer protein ApbC from Escherichia coli.
Biochem.Biophys.Res.Commun., 722, 2024
8XBD
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BU of 8xbd by Molmil
GH18 family chitinase from cold seep metagenome
分子名称: GH18 chitinase-like superfamily protein
著者Yang, J.
登録日2023-12-06
公開日2023-12-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献GH18 family chitinase from cold seep metagenome
To Be Published
5H73
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BU of 5h73 by Molmil
Crystal structure of human DHODH with 18F
分子名称: ACETATE ION, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
著者Huang, J, Wu, D.
登録日2016-11-16
公開日2017-07-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Crystal structure of human DHODH with 18F at 1.58 Angstroms resolution
To Be Published
5HIN
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BU of 5hin by Molmil
Crystal structure of human dihydroorotate dehydrogenase (DHODH) with 18L compound
分子名称: ACETATE ION, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
著者Huang, J, Wu, D, Lu, Q, Yao, X.
登録日2016-01-12
公開日2016-07-20
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of human dihydroorotate dehydrogenase (DHODH) with 18L at 1.60 A resolution
To Be Published
5HM2
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BU of 5hm2 by Molmil
Crystal structure of the 3C protease from South African Territories type 2 foot-and-mouth disease virus
分子名称: 3C proteinase
著者Yang, J, Leen, E.N, Curry, S.
登録日2016-01-15
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal structure of the 3C protease from Southern African Territories type 2 foot-and-mouth disease virus.
Peerj, 4, 2016
5IAY
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BU of 5iay by Molmil
NMR structure of UHRF1 Tandem Tudor Domains in a complex with Spacer peptide
分子名称: E3 ubiquitin-protein ligase UHRF1, Spacer
著者Fang, J, Cheng, J, Wang, J, Zhang, Q, Liu, M, Gong, R, Wang, P, Zhang, X, Feng, Y, Lan, W, Gong, Z, Tang, C, Wong, J, Yang, H, Cao, C, Xu, Y.
登録日2016-02-22
公開日2016-04-20
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Hemi-methylated DNA opens a closed conformation of UHRF1 to facilitate its histone recognition
Nat Commun, 7, 2016
5HQE
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BU of 5hqe by Molmil
Crystal structure of human dihydroorotate dehydrogenase (DHODH) with compound 18T
分子名称: ACETATE ION, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
著者Huang, J, Wu, D, Lu, Q.
登録日2016-01-21
公開日2016-07-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Crystal structure of human dihydroorotate dehydrogenase (DHODH) with 18T at 1.62 A resolution
To Be Published
7TO4
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BU of 7to4 by Molmil
Structural and functional impact by SARS-CoV-2 Omicron spike mutations
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhang, J, Xiao, T.S, Cai, Y.F, Peng, H.Q, Volloch, S.R, Chen, B.
登録日2022-01-22
公開日2022-02-16
最終更新日2022-05-11
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural and functional impact by SARS-CoV-2 Omicron spike mutations.
Cell Rep, 39, 2022
7TNW
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BU of 7tnw by Molmil
Structural and functional impact by SARS-CoV-2 Omicron spike mutations
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhang, J, Xiao, T.S, Cai, Y.F, Peng, H.Q, Volloch, S.R, Chen, B.
登録日2022-01-21
公開日2022-02-16
最終更新日2022-05-11
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural and functional impact by SARS-CoV-2 Omicron spike mutations.
Cell Rep, 39, 2022
8EJM
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BU of 8ejm by Molmil
Crystal structure of human DEAH-box helicase DHX15 in complex with SUGP1 G-patch
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent RNA helicase DHX15, CHLORIDE ION, ...
著者Huang, J, Tong, L.
登録日2022-09-17
公開日2022-12-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献DHX15 is involved in SUGP1-mediated RNA missplicing by mutant SF3B1 in cancer.
Proc.Natl.Acad.Sci.USA, 119, 2022
6M12
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BU of 6m12 by Molmil
Crystal Structure of Rnase L in complex with SU11652
分子名称: 5-[(E)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]-N-[2-(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE, PHOSPHATE ION, Ribonuclease L, ...
著者Tang, J, Huang, H.
登録日2020-02-24
公開日2020-09-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Sunitinib inhibits RNase L by destabilizing its active dimer conformation.
Biochem.J., 477, 2020
4ZL1
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BU of 4zl1 by Molmil
Crystal structure of human dihydroorotate dehydrogenase (DHODH) with 18X at 1.86 A resolution
分子名称: Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ...
著者Huang, J, Wu, D, Ouyang, P, Lu, W, Pu, J.
登録日2015-05-01
公開日2016-05-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Crystal structure of human dihydroorotate dehydrogenase (DHODH) with 18XYW at 1.86 A resolution
To Be Published
6M13
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BU of 6m13 by Molmil
Crystal structure of Rnase L in complex with Toceranib
分子名称: 5-[(Z)-(5-fluoranyl-2-oxidanylidene-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide, PHOSPHATE ION, Ribonuclease L, ...
著者Tang, J, Huang, H.
登録日2020-02-24
公開日2020-09-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Sunitinib inhibits RNase L by destabilizing its active dimer conformation.
Biochem.J., 477, 2020
8D56
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BU of 8d56 by Molmil
One RBD-up state of SARS-CoV-2 BA.2 variant spike protein
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhang, J, Tang, W.C, Gao, H.L, Shi, W, Peng, H.Q, Volloch, S.R, Xiao, T.S, Chen, B.
登録日2022-06-04
公開日2023-06-07
最終更新日2023-07-26
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural and functional characteristics of the SARS-CoV-2 Omicron subvariant BA.2 spike protein.
Nat.Struct.Mol.Biol., 30, 2023
8D55
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BU of 8d55 by Molmil
Closed state of SARS-CoV-2 BA.2 variant spike protein
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhang, J, Tang, W.C, Gao, H.L, Shi, W, Peng, H.Q, Volloch, S.R, Xiao, T.S, Chen, B.
登録日2022-06-04
公開日2023-06-07
最終更新日2023-07-26
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural and functional characteristics of the SARS-CoV-2 Omicron subvariant BA.2 spike protein.
Nat.Struct.Mol.Biol., 30, 2023
8D5A
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BU of 8d5a by Molmil
Middle state of SARS-CoV-2 BA.2 variant spike protein
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhang, J, Tang, W.C, Gao, H.L, Shi, W, Peng, H.Q, Volloch, S.R, Xiao, T.S, Chen, B.
登録日2022-06-04
公開日2023-06-07
最終更新日2023-07-26
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural and functional characteristics of the SARS-CoV-2 Omicron subvariant BA.2 spike protein.
Nat.Struct.Mol.Biol., 30, 2023
4ZK1
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BU of 4zk1 by Molmil
Crystal Structure of Lymnaea stagnalis Acetylcholine-Binding Protein (LsAChBP) in Complex with 3-Pyrrolylmethylene Anabaseine
分子名称: (3E)-3-(1H-pyrrol-3-ylmethylidene)-3,4,5,6-tetrahydro-2,3'-bipyridine, Acetylcholine-binding protein, PHOSPHATE ION
著者Bobango, J, Wu, J, Talley, T.T.
登録日2015-04-29
公開日2015-05-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal Structure of Lymnaea stagnalis Acetylcholine-Binding Protein (LsAChBP) in Complex with 3-Pyrrolylmethylene Anabaseine
To be Published
4ZK4
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Crystal structure of a chimeric acetylcholine binding protein from Aplysia californica (Ac-AChBP) containing loop C from the human alpha 3 nicotinic acetylcholine receptor in complex with 7-(5-isopropoxy-pyridin-3-yl)-1-methyl-1,7-diaza-spiro[4.4]nonane
分子名称: (5R)-1-methyl-7-[5-(propan-2-yloxy)pyridin-3-yl]-1,7-diazaspiro[4.4]nonane, MAGNESIUM ION, SULFATE ION, ...
著者Bobango, J, Wu, J, Talley, T.T.
登録日2015-04-29
公開日2015-05-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献Crystal structure of a chimeric acetylcholine binding protein from Aplysia californica (Ac-AChBP) containing loop C from the human alpha 3 nicotinic acetylcholine receptor in complex with 7-(5-isopropoxy-pyridin-3-yl)-1-methyl-1,7-diaza-spiro[4.4]nonane.
To be Published

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