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7VW9
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Helicoverpa armigera pheromone-binding protein PBP1 at pH 5.5
分子名称: PBP1
著者Zheng, J, Chen, Z.
登録日2021-11-10
公開日2022-02-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural Insights into the Ligand-Binding and -Releasing Mechanism of Helicoverpa armigera Pheromone-Binding Protein PBP1.
Int J Mol Sci, 23, 2022
5XLS
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BU of 5xls by Molmil
Crystal structure of UraA in occluded conformation
分子名称: 12-TUNGSTOPHOSPHATE, URACIL, Uracil permease
著者Yu, X.Z, Yang, G.H, Yan, C.Y, Yan, N.
登録日2017-05-11
公開日2017-07-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Dimeric structure of the uracil:proton symporter UraA provides mechanistic insights into the SLC4/23/26 transporters
Cell Res., 27, 2017
8TJL
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BU of 8tjl by Molmil
EGFR kinase in complex with pyrazolopyrimidine covalent inhibitor
分子名称: 1-{3-[(4-amino-1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)oxy]azetidin-1-yl}propan-1-one, Epidermal growth factor receptor
著者Beyett, T.S, Eck, M.J.
登録日2023-07-22
公開日2024-02-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献ZNL0325, a Pyrazolopyrimidine-Based Covalent Probe, Demonstrates an Alternative Binding Mode for Kinases.
J.Med.Chem., 67, 2024
5XFQ
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BU of 5xfq by Molmil
Ternary complex of PHF1, a DNA duplex and a histone peptide
分子名称: DNA (5'-D(*GP*GP*GP*CP*GP*GP*CP*CP*GP*CP*CP*CP*T)-3'), PHD finger protein 1, Peptide from Histone H3, ...
著者Wang, Z, Li, H.
登録日2017-04-11
公開日2017-09-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Polycomb-like proteins link the PRC2 complex to CpG islands
Nature, 549, 2017
8EIH
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BU of 8eih by Molmil
Cryo-EM structure of human DNMT3B homo-tetramer (form I)
分子名称: DNA (cytosine-5)-methyltransferase 3B, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION
著者Lu, J.W, Song, J.K.
登録日2022-09-15
公開日2023-09-20
最終更新日2024-04-03
実験手法ELECTRON MICROSCOPY (3.04 Å)
主引用文献Structural basis for the allosteric regulation and dynamic assembly of DNMT3B.
Nucleic Acids Res., 51, 2023
8EII
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BU of 8eii by Molmil
Cryo-EM structure of human DNMT3B homo-tetramer (form II)
分子名称: DNA (cytosine-5)-methyltransferase 3B, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION
著者Lu, J.W, Song, J.K.
登録日2022-09-15
公開日2023-09-20
最終更新日2023-12-20
実験手法ELECTRON MICROSCOPY (3.12 Å)
主引用文献Structural basis for the allosteric regulation and dynamic assembly of DNMT3B.
Nucleic Acids Res., 51, 2023
8EIK
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BU of 8eik by Molmil
Cryo-EM structure of human DNMT3B homo-hexamer
分子名称: DNA (cytosine-5)-methyltransferase 3B, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION
著者Lu, J.W, Song, J.K.
登録日2022-09-15
公開日2023-09-20
最終更新日2023-12-20
実験手法ELECTRON MICROSCOPY (3.19 Å)
主引用文献Structural basis for the allosteric regulation and dynamic assembly of DNMT3B.
Nucleic Acids Res., 51, 2023
8EIJ
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BU of 8eij by Molmil
Cryo-EM structure of human DNMT3B homo-trimer
分子名称: DNA (cytosine-5)-methyltransferase 3B, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION
著者Lu, J.W, Song, J.K.
登録日2022-09-15
公開日2023-09-20
最終更新日2023-12-20
実験手法ELECTRON MICROSCOPY (3.34 Å)
主引用文献Structural basis for the allosteric regulation and dynamic assembly of DNMT3B.
Nucleic Acids Res., 51, 2023
8HGW
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BU of 8hgw by Molmil
Crystal structure of MehpH in complex with MBP
分子名称: 1-BUTANOL, Monoalkyl phthalate hydrolase, PHTHALIC ACID
著者Zhang, Z.M, Wang, Y.J, Chen, Y.B.
登録日2022-11-15
公開日2023-03-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.80001163 Å)
主引用文献Molecular insights into the catalytic mechanism of plasticizer degradation by a monoalkyl phthalate hydrolase.
Commun Chem, 6, 2023
8HGV
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BU of 8hgv by Molmil
Crystal structure of monoalkyl phthalate hydrolase MehpH
分子名称: Monoethylhexylphthalate hydrolase
著者Zhang, Z.M, Wang, Y.J, Chen, Y.B.
登録日2022-11-15
公開日2023-03-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.30006242 Å)
主引用文献Molecular insights into the catalytic mechanism of plasticizer degradation by a monoalkyl phthalate hydrolase.
Commun Chem, 6, 2023
5F59
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BU of 5f59 by Molmil
The crystal structure of MLL3 SET domain
分子名称: Histone-lysine N-methyltransferase 2C, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION
著者Li, Y, Lei, M, Chen, Y.
登録日2015-12-04
公開日2016-02-24
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.801 Å)
主引用文献Structural basis for activity regulation of MLL family methyltransferases.
Nature, 530, 2016
8JY6
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BU of 8jy6 by Molmil
Structure of TbAQP2 in complex with anti-trypanosomatid drug melarsoprol
分子名称: Aquaglyceroporin 2, [(4~{R})-2-[4-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]amino]phenyl]-1,3,2-dithiarsolan-4-yl]methanol
著者Chen, W, Wang, C.
登録日2023-07-03
公開日2024-05-29
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Structural insights into drug transport by an aquaglyceroporin.
Nat Commun, 15, 2024
7OQ6
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BU of 7oq6 by Molmil
Crystal structure of cytochrome P450 Sas16 from Streptomyces asterosporus
分子名称: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, THIOCYANATE ION
著者Zhang, L, Zhang, S, Bechthold, A, Einsle, O.
登録日2021-06-02
公開日2022-06-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献P450-mediated dehydrotyrosine formation during WS9326 biosynthesis proceeds via dehydrogenation of a specific acylated dipeptide substrate.
Acta Pharm Sin B, 13, 2023
8JY7
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BU of 8jy7 by Molmil
Structure of the TbAQP2 in the apo conformation
分子名称: Aquaglyceroporin 2
著者Chen, W, Wang, C.
登録日2023-07-03
公開日2024-05-29
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural insights into drug transport by an aquaglyceroporin.
Nat Commun, 15, 2024
8JY8
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BU of 8jy8 by Molmil
Structure of TbAQP2 in complex with anti-trypanosomatid drug pentamidine
分子名称: 1,5-BIS(4-AMIDINOPHENOXY)PENTANE, Aquaglyceroporin 2
著者Chen, W, Wang, C.
登録日2023-07-03
公開日2024-05-29
実験手法ELECTRON MICROSCOPY (2.45 Å)
主引用文献Structural insights into drug transport by an aquaglyceroporin.
Nat Commun, 15, 2024
5I89
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BU of 5i89 by Molmil
Crystal structure of the bromodomain of human CREBBP bound to the benzodiazepinone G02857790
分子名称: (4R)-6-(3-cyclopropyl-1-methyl-1H-indazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, ACETATE ION, CALCIUM ION, ...
著者Setser, J.W, Poy, F, Bellon, S.F.
登録日2016-02-18
公開日2016-04-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637).
Acs Med.Chem.Lett., 7, 2016
4WZF
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BU of 4wzf by Molmil
Crystal structural basis for Rv0315, an immunostimulatory antigen and pseudo beta-1, 3-glucanase of Mycobacterium tuberculosis
分子名称: 1,2-ETHANEDIOL, 1,3-beta-glucanase, CALCIUM ION
著者Dong, W.Y, Fu, Z.F, Peng, G.Q.
登録日2014-11-19
公開日2015-12-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.699 Å)
主引用文献Crystal structural basis for Rv0315, an immunostimulatory antigen and inactive beta-1,3-glucanase of Mycobacterium tuberculosis.
Sci Rep, 5, 2015
5Y93
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BU of 5y93 by Molmil
Crystal Structure Analysis of the BRD4
分子名称: 1,2-ETHANEDIOL, 2-[[5-[(5-bromanyl-2-methoxy-phenyl)sulfonylamino]-3-methyl-1,2-benzoxazol-6-yl]oxy]-N-(2-morpholin-4-ylethyl)ethanamide, Bromodomain-containing protein 4, ...
著者Xu, Y, Zhang, Y, Song, M, Wang, C.
登録日2017-08-22
公開日2018-06-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
6LNU
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BU of 6lnu by Molmil
Cryo-EM structure of immature Zika virus
分子名称: Genome polyprotein
著者Tan, T.Y, Fibriansah, G, Kostyuchenko, V.A, Ng, T.S, Lim, X.X, Lim, X.N, Shi, J, Morais, M.C, Corti, D, Lok, S.M.
登録日2020-01-02
公開日2020-02-26
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (9 Å)
主引用文献Capsid protein structure in Zika virus reveals the flavivirus assembly process.
Nat Commun, 11, 2020
5I83
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BU of 5i83 by Molmil
Crystal structure of the bromodomain of human CREBBP bound to the benzodiazepinone G02773986
分子名称: (4R)-4-methyl-7-[(1R)-1-phenylethoxy]-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, CREB-binding protein, THIOCYANATE ION
著者Jayaram, H, Poy, F, Setser, J.W, Bellon, S.F.
登録日2016-02-18
公開日2016-04-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637).
Acs Med.Chem.Lett., 7, 2016
5F5E
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BU of 5f5e by Molmil
The Crystal Structure of MLL1 SET domain with N3816I/Q3867L mutation
分子名称: Histone-lysine N-methyltransferase 2A, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION
著者Li, Y, Lei, M, Chen, Y.
登録日2015-12-04
公開日2016-02-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.802 Å)
主引用文献Structural basis for activity regulation of MLL family methyltransferases.
Nature, 530, 2016
5F6L
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BU of 5f6l by Molmil
The crystal structure of MLL1 (N3861I/Q3867L) in complex with RbBP5 and Ash2L
分子名称: Histone-lysine N-methyltransferase 2A, Retinoblastoma-binding protein 5, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Li, Y, Lei, M, Chen, Y.
登録日2015-12-06
公開日2016-02-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for activity regulation of MLL family methyltransferases.
Nature, 530, 2016
6LNM
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BU of 6lnm by Molmil
Crystal structure of CASK-CaMK in complex with Mint1-CID
分子名称: Amyloid-beta A4 precursor protein-binding family A member 1, Peripheral plasma membrane protein CASK
著者Cai, Q, Zhang, M.
登録日2019-12-31
公開日2020-04-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Basis for the High-Affinity Interaction between CASK and Mint1.
Structure, 28, 2020
8OUU
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BU of 8ouu by Molmil
Crystal structure of D1228V c-MET bound by compound 29
分子名称: 1,2-ETHANEDIOL, 5-(3-ethynyl-5-fluoranyl-1H-indazol-7-yl)-1-[(1S)-1-phenylethyl]pyrimidine-2,4-dione, FORMIC ACID, ...
著者Collie, G.W.
登録日2023-04-24
公開日2023-07-05
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Discovery and Optimization of the First ATP Competitive Type-III c-MET Inhibitor.
J.Med.Chem., 66, 2023
8OUV
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Crystal structure of D1228V c-MET bound by compound 15
分子名称: 5-(1H-indazol-7-yl)-1-[(1S)-1-phenylethyl]pyrimidine-2,4-dione, CHLORIDE ION, Hepatocyte growth factor receptor
著者Collie, G.W.
登録日2023-04-24
公開日2023-07-05
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.783 Å)
主引用文献Discovery and Optimization of the First ATP Competitive Type-III c-MET Inhibitor.
J.Med.Chem., 66, 2023

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