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6NTS
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BU of 6nts by Molmil
Protein Phosphatase 2A (Aalpha-B56alpha-Calpha) holoenzyme in complex with a Small Molecule Activator of PP2A (SMAP)
分子名称: MANGANESE (II) ION, N-[(1R,2R,3S)-2-hydroxy-3-(10H-phenoxazin-10-yl)cyclohexyl]-4-(trifluoromethoxy)benzene-1-sulfonamide, Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit alpha isoform, ...
著者Huang, W, Taylor, D.
登録日2019-01-30
公開日2020-05-06
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (3.63 Å)
主引用文献Selective PP2A Enhancement through Biased Heterotrimer Stabilization.
Cell, 181, 2020
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
4XAU
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BU of 4xau by Molmil
Crystal structure of AtS13 from Actinomadura melliaura
分子名称: PYRIDOXAL-5'-PHOSPHATE, Putative aminotransferase
著者Wang, F, Singh, S, Xu, W, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro)
登録日2014-12-15
公開日2014-12-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.0012 Å)
主引用文献Structural characterization of AtmS13, a putative sugar aminotransferase involved in indolocarbazole AT2433 aminopentose biosynthesis.
Proteins, 83, 2015
5CMZ
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BU of 5cmz by Molmil
Artificial HIV fusion inhibitor AP3 fused to the C-terminus of gp41 NHR
分子名称: 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, Artificial HIV entry inhibitor AP3, ...
著者Zhu, Y, Ye, S, Zhang, R.
登録日2015-07-17
公開日2015-09-16
実験手法X-RAY DIFFRACTION (2.574 Å)
主引用文献Improved Pharmacological and Structural Properties of HIV Fusion Inhibitor AP3 over Enfuvirtide: Highlighting Advantages of Artificial Peptide Strategy.
Sci Rep, 5, 2015
6D2L
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BU of 6d2l by Molmil
Crystal structure of human CARM1 with (S)-SKI-72
分子名称: (2S,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-N-[2-(4-hydroxyphenyl)ethyl]hexanamide, GLYCEROL, Histone-arginine methyltransferase CARM1, ...
著者DONG, A, ZENG, H, WALKER, J.R, Hutchinson, A, Seitova, A, LUO, M, CAI, X.C, KE, W, WANG, J, SHI, C, ZHENG, W, LEE, J.P, IBANEZ, G, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC)
登録日2018-04-13
公開日2018-05-23
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A chemical probe of CARM1 alters epigenetic plasticity against breast cancer cell invasion.
Elife, 8, 2019
5CN0
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BU of 5cn0 by Molmil
Artificial HIV fusion inhibitor AP2 fused to the C-terminus of gp41 NHR
分子名称: DI(HYDROXYETHYL)ETHER, Envelope glycoprotein,AP2, MAGNESIUM ION
著者Zhu, Y, Ye, S, Zhang, R.
登録日2015-07-17
公開日2015-09-16
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献Improved Pharmacological and Structural Properties of HIV Fusion Inhibitor AP3 over Enfuvirtide: Highlighting Advantages of Artificial Peptide Strategy.
Sci Rep, 5, 2015
5CMU
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BU of 5cmu by Molmil
Artificial HIV fusion inhibitor AP1 fused to the C-terminus of gp41 NHR
分子名称: Envelope glycoprotein,AP1, GLYCEROL
著者Zhu, Y, Ye, S, Zhang, R.
登録日2015-07-17
公開日2015-09-16
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.113 Å)
主引用文献Improved Pharmacological and Structural Properties of HIV Fusion Inhibitor AP3 over Enfuvirtide: Highlighting Advantages of Artificial Peptide Strategy.
Sci Rep, 5, 2015
2KPH
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BU of 2kph by Molmil
NMR Structure of AtraPBP1 at pH 4.5
分子名称: Pheromone binding protein
著者Ames, J.
登録日2009-10-15
公開日2010-02-02
最終更新日2022-03-16
実験手法SOLUTION NMR
主引用文献NMR Structure of Navel Orangeworm Moth Pheromone-Binding Protein (AtraPBP1): Implications for pH-Sensitive Pheromone Detection .
Biochemistry, 49, 2010
7PRQ
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BU of 7prq by Molmil
Structure of the ligand binding domain of the PctD (PA4633) chemoreceptor of Pseudomonas aeruginosa PAO1 in complex with choline.
分子名称: 1,2-ETHANEDIOL, CHOLINE ION, GLYCEROL, ...
著者Gavira, J.A, Matilla, M.A, Martin-Mora, D, Krell, T.
登録日2021-09-22
公開日2022-05-11
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Chemotaxis of the Human Pathogen Pseudomonas aeruginosa to the Neurotransmitter Acetylcholine.
Mbio, 13, 2022
7PSG
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BU of 7psg by Molmil
Structure of the ligand binding domain of the PacA (ECA2226) chemoreceptor of Pectobacterium atrosepticum SCRI1043 in complex with betaine.
分子名称: GLYCEROL, Methyl-accepting chemotaxis protein, TRIMETHYL GLYCINE
著者Gavira, J.A, Matilla, M.A, Velando, F, Krell, T.
登録日2021-09-23
公開日2022-05-11
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Chemotaxis of the Human Pathogen Pseudomonas aeruginosa to the Neurotransmitter Acetylcholine.
Mbio, 13, 2022
7PRR
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BU of 7prr by Molmil
Structure of the ligand binding domain of the PctD (PA4633) chemoreceptor of Pseudomonas aeruginosa PAO1 in complex with acetylcholine
分子名称: ACETYLCHOLINE, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Gavira, J.A, Matilla, M.A, Martin-Mora, D, Krell, T.
登録日2021-09-22
公開日2022-05-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Chemotaxis of the Human Pathogen Pseudomonas aeruginosa to the Neurotransmitter Acetylcholine.
Mbio, 13, 2022
3OGN
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BU of 3ogn by Molmil
Crystal Structure of an Odorant-binding Protein from the Southern House Mosquito Complexed with an Oviposition Pheromone
分子名称: (1S)-1-[(2R)-6-oxotetrahydro-2H-pyran-2-yl]undecyl acetate, MAGNESIUM ION, Odorant-binding protein
著者Mao, Y, Clardy, J.
登録日2010-08-17
公開日2010-11-03
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal and solution structures of an odorant-binding protein from the southern house mosquito complexed with an oviposition pheromone.
Proc.Natl.Acad.Sci.USA, 107, 2010
1QA0
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BU of 1qa0 by Molmil
BOVINE TRYPSIN 2-AMINOBENZIMIDAZOLE COMPLEX
分子名称: 2H-BENZOIMIDAZOL-2-YLAMINE, CALCIUM ION, TRYPSIN
著者Whitlow, M.
登録日1999-04-09
公開日2000-04-10
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystallographic analysis of potent and selective factor Xa inhibitors complexed to bovine trypsin.
Acta Crystallogr.,Sect.D, 55, 1999
4IKG
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BU of 4ikg by Molmil
Crystal structure of cell death-inducing DFFA-like effector c
分子名称: Cell death activator CIDE-3, IODIDE ION
著者Yang, M, Gao, J.
登録日2012-12-26
公開日2014-06-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9318 Å)
主引用文献Perilipin1 promotes unilocular lipid droplet formation through the activation of Fsp27 in adipocytes.
Nat Commun, 4, 2013
4IKP
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BU of 4ikp by Molmil
Crystal structure of coactivator-associated arginine methyltransferase 1 with methylenesinefungin
分子名称: (2S,5S)-2,6-diamino-5-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}hexanoic acid, GLYCEROL, Histone-arginine methyltransferase CARM1, ...
著者Dong, A, Dombrovski, L, He, H, Ibanez, G, Wernimont, A, Zheng, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Luo, M, Wu, H, Structural Genomics Consortium (SGC)
登録日2012-12-27
公開日2013-02-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A chemical probe of CARM1 alters epigenetic plasticity against breast cancer cell invasion.
Elife, 8, 2019
4OLT
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BU of 4olt by Molmil
Chitosanase complex structure
分子名称: 2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose, Chitosanase, GLYCEROL
著者Liu, W.Z, Lyu, Q.Q, Han, B.Q.
登録日2014-01-25
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Structural insights into the substrate-binding mechanism for a novel chitosanase.
Biochem.J., 461, 2014
5UWG
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BU of 5uwg by Molmil
The crystal structure of Fz4-CRD in complex with palmitoleic acid
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Frizzled-4, PALMITOLEIC ACID
著者Ke, J, DeBruine, Z.J, Gu, X, Brunzelle, J.S, Xu, H.E, Melcher, K.
登録日2017-02-21
公開日2017-06-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Wnt5a promotes Frizzled-4 signalosome assembly by stabilizing cysteine-rich domain dimerization.
Genes Dev., 31, 2017
3B6Z
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BU of 3b6z by Molmil
Lovastatin polyketide enoyl reductase (LovC) complexed with 2'-phosphoadenosyl isomer of crotonoyl-CoA
分子名称: Enoyl reductase, GLYCEROL, S-{(9R,13R,15S)-17-[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl}(2E)-but-2-enethioate
著者Ames, B.D, Smith, P.T, Ma, S.M, Wong, E.W, Xie, X, Vederas, J.C, Tang, Y, Tsai, S.-C.
登録日2007-10-29
公開日2008-09-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Crystal structure and biochemical studies of the trans-acting polyketide enoyl reductase LovC from lovastatin biosynthesis.
Proc.Natl.Acad.Sci.USA, 109, 2012
3B70
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BU of 3b70 by Molmil
Crystal structure of Aspergillus terreus trans-acting lovastatin polyketide enoyl reductase (LovC) with bound NADP
分子名称: Enoyl reductase, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Ames, B.D, Smith, P.T, Ma, S.M, Wong, E.W, Xie, X, Vederas, J.C, Tang, Y, Tsai, S.-C.
登録日2007-10-29
公開日2008-09-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Crystal structure and biochemical studies of the trans-acting polyketide enoyl reductase LovC from lovastatin biosynthesis.
Proc.Natl.Acad.Sci.USA, 109, 2012
6B85
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BU of 6b85 by Molmil
Crystal structure of transmembrane protein TMHC4_R
分子名称: TMHC4_R
著者Lu, P, DiMaio, F, Min, D, Bowie, J, Wei, K.Y, Baker, D.
登録日2017-10-05
公開日2018-03-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.889 Å)
主引用文献Accurate computational design of multipass transmembrane proteins.
Science, 359, 2018
6B87
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BU of 6b87 by Molmil
Crystal structure of transmembrane protein TMHC2_E
分子名称: TMHC2_E
著者Lu, P, DiMaio, F, Min, D, Wei, K.Y, Bowie, J, Baker, D.
登録日2017-10-05
公開日2018-03-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.947 Å)
主引用文献Accurate computational design of multipass transmembrane proteins.
Science, 359, 2018
6CCM
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BU of 6ccm by Molmil
Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 2-((3-bromobenzyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
分子名称: 2-{[(3-bromophenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-one, Phosphopantetheine adenylyltransferase, SULFATE ION
著者Mamo, M, Appleton, B.A.
登録日2018-02-07
公開日2018-03-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria.
J. Med. Chem., 61, 2018
6CCS
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BU of 6ccs by Molmil
Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 2-(trifluoromethyl)-1H-benzo[d]imidazol-4-ol
分子名称: 2-(trifluoromethyl)-1H-benzimidazol-7-ol, Phosphopantetheine adenylyltransferase, SULFATE ION
著者Mamo, M, Appleton, B.A.
登録日2018-02-07
公開日2018-03-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria.
J. Med. Chem., 61, 2018
6CHN
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BU of 6chn by Molmil
Phosphopantetheine adenylyltransferase (CoaD) in complex with methyl (R)-4-(3-(2-cyano-1-((5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)ethyl)phenoxy)piperidine-1-carboxylate
分子名称: DI(HYDROXYETHYL)ETHER, Phosphopantetheine adenylyltransferase, SULFATE ION, ...
著者Mamo, M, Appleton, B.A.
登録日2018-02-22
公開日2018-04-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity.
J. Med. Chem., 61, 2018

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