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5TF8
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Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with dTTP
分子名称: Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION, THYMIDINE-5'-TRIPHOSPHATE
著者Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F.
登録日2016-09-24
公開日2018-05-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.861 Å)
主引用文献Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
5TFJ
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Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with dCTP
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION
著者Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F.
登録日2016-09-25
公開日2018-05-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
5TFF
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BU of 5tff by Molmil
Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with UTP
分子名称: Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION, URIDINE 5'-TRIPHOSPHATE
著者Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F.
登録日2016-09-25
公開日2018-05-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.891 Å)
主引用文献Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
5TGK
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BU of 5tgk by Molmil
Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with dATP
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION
著者Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F.
登録日2016-09-28
公開日2018-05-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.912 Å)
主引用文献Ligand binding to a remote site thermodynamically corrects the F508del mutation in the human cystic fibrosis transmembrane conductance regulator.
J. Biol. Chem., 2018
5T63
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BU of 5t63 by Molmil
The HhoA protease from Synechocystis sp. PCC 6803
分子名称: ALA-ALA-ALA-ALA, MAGNESIUM ION, Putative serine protease HhoA
著者Persson, K, Hall, M, Funk, C.
登録日2016-09-01
公開日2017-01-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The HhoA protease from Synechocystis sp. PCC 6803 - Novel insights into structure and activity regulation.
J. Struct. Biol., 198, 2017
5T69
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The HhoA protease from Synechocystis sp. PCC 6803, active site mutant
分子名称: ACETATE ION, MAGNESIUM ION, Putative serine protease HhoA
著者Persson, K, Hall, M, Funk, C.
登録日2016-09-01
公開日2017-01-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The HhoA protease from Synechocystis sp. PCC 6803 - Novel insights into structure and activity regulation.
J. Struct. Biol., 198, 2017
7S3B
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Crystal structure of intact U2AF65 RRM-region bound to AdML-G5 oligonucleotide
分子名称: DI(HYDROXYETHYL)ETHER, DNA/RNA (5'-R(P*UP*UP*(UD)P*GP*U)-D(P*(BRU))-R(P*CP*C)-3'), Splicing factor U2AF 65 kDa subunit
著者Jenkins, J.L, Henderson, S, Kielkopf, C.L.
登録日2021-09-05
公開日2022-05-25
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Pre-mRNA splicing factor U2AF2 recognizes distinct conformations of nucleotide variants at the center of the pre-mRNA splice site signal.
Nucleic Acids Res., 50, 2022
8C6Y
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PBP AccA from A. tumefaciens Bo542 in apoform 2
分子名称: 1,2-ETHANEDIOL, Agrocinopine utilization periplasmic binding protein AccA
著者Morera, S, Vigouroux, A, legrand, P.
登録日2023-01-12
公開日2024-01-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity.
Biochem.J., 481, 2024
8CB9
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PBP AccA from A. tumefaciens Bo542 in complex with D-Glucose-2-phosphate
分子名称: 2-O-phosphono-alpha-D-glucopyranose, 2-O-phosphono-beta-D-glucopyranose, Agrocinopine utilization periplasmic binding protein AccA
著者Morera, S, Vigouroux, A.
登録日2023-01-25
公開日2024-01-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity.
Biochem.J., 481, 2024
7S1X
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Cryo-EM structure of human NKCC1 K289NA492EL671C bound with bumetanide
分子名称: 3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid, CHLORIDE ION, POTASSIUM ION, ...
著者Zhao, Y.X, Cao, E.H.
登録日2021-09-02
公開日2022-05-25
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural basis for inhibition of the Cation-chloride cotransporter NKCC1 by the diuretic drug bumetanide
Nat Commun, 13, 2022
8PIP
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BU of 8pip by Molmil
DNA triplex structure with Polypyridyl Ruthenium Complexes
分子名称: CHLORIDE ION, DNA (31-MER), Delta-Ru(phen)2(dppz) complex, ...
著者Abdullrahman, A, Cardin, C.J, Hall, J.P.
登録日2023-06-22
公開日2024-07-10
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献DNA triplex structure with bound ruthenium polypyridyl complexes
To Be Published
7S1Z
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Cryo-EM structure of Human NKCC1 K289NA492EL671C
分子名称: Solute carrier family 12 member 2
著者Zhao, Y.X, Cao, E.H.
登録日2021-09-02
公開日2022-05-25
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural basis for inhibition of the Cation-chloride cotransporter NKCC1 by the diuretic drug bumetanide
Nat Commun, 13, 2022
7S1Y
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BU of 7s1y by Molmil
Cryo-EM structure of human NKCC1 K289NA492E bound with bumetanide
分子名称: 3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid, CHLORIDE ION, POTASSIUM ION, ...
著者Zhao, Y.X, Cao, E.h.
登録日2021-09-02
公開日2022-05-25
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural basis for inhibition of the Cation-chloride cotransporter NKCC1 by the diuretic drug bumetanide
Nat Commun, 13, 2022
8PJW
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BU of 8pjw by Molmil
Crystal structure of the computationally designed SAKe6FE protein
分子名称: SAKe6FE
著者Wouters, S.M.L.
登録日2023-06-23
公開日2024-07-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Computational design of the SAKe scaffold proteins
To Be Published
8COO
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BU of 8coo by Molmil
Solution structure of Zipcode binding protein 1 (ZBP1) KH3(DD)KH4 domains in complex with N6-Methyladenosine containing RNA
分子名称: Insulin-like growth factor 2 mRNA-binding protein 1, RNA_(5'-R(*(UP*CP*GP*GP*(6MZ)P*CP*U)-3')
著者Nicastro, G, Abis, G, Taylor, I.A, Ramos, A.
登録日2023-02-28
公開日2024-02-07
実験手法SOLUTION NMR
主引用文献Direct m6A recognition by IMP1 underlays an alternative model of target selection for non-canonical methyl-readers.
Nucleic Acids Res., 51, 2023
8EUM
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BU of 8eum by Molmil
MicroED structure of an Aeropyrum pernix protoglobin mutant
分子名称: FE (III) ION, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Danelius, E, Gonen, T, Unge, J.T.
登録日2022-10-18
公開日2023-11-08
最終更新日2024-05-22
実験手法ELECTRON CRYSTALLOGRAPHY (2.1 Å)
主引用文献MicroED Structure of a Protoglobin Reactive Carbene Intermediate.
J.Am.Chem.Soc., 145, 2023
8CEX
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BU of 8cex by Molmil
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH11227
分子名称: 6-fluoranyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide, N-glycosylase/DNA lyase, NICKEL (II) ION
著者Kosenina, S, Scaletti, E.R, Stenmark, P.
登録日2023-02-02
公開日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH11227
To Be Published
6TWN
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BU of 6twn by Molmil
Crystal structure of Talin1 R7R8 in complex with CDK1 (206-223)
分子名称: CHLORIDE ION, Cyclin-dependent kinase 1, GLYCEROL, ...
著者Zacharchenko, T, Muench, S.P, Goult, B.T.
登録日2020-01-13
公開日2021-05-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Talin mechanosensitivity is modulated by a direct interaction with cyclin-dependent kinase-1.
J.Biol.Chem., 297, 2021
6UNP
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BU of 6unp by Molmil
Crystal structure of the kinase domain of BMPR2-D485G
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Bone morphogenetic protein receptor type-2, ...
著者Agnew, C, Jura, N.
登録日2019-10-13
公開日2021-07-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for ALK2/BMPR2 receptor complex signaling through kinase domain oligomerization.
Nat Commun, 12, 2021
6TUY
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BU of 6tuy by Molmil
Human LSD1/CoREST bound to the quinazoline inhibitor MC4106
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Mattevi, A, Marrocco, B.
登録日2020-01-08
公開日2021-07-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Novel non-covalent LSD1 inhibitors endowed with anticancer effects in leukemia and solid tumor cellular models.
Eur.J.Med.Chem., 237, 2022
7RWE
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BU of 7rwe by Molmil
Crystal structure of CDK2 liganded with compound GPHR787
分子名称: 5-nitro-2-[(3-phenylpropyl)amino]benzoic acid, Cyclin-dependent kinase 2
著者Sun, L, Schonbrunn, E.
登録日2021-08-19
公開日2022-08-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Screening through Lead Optimization of High Affinity, Allosteric Cyclin-Dependent Kinase 2 (CDK2) Inhibitors as Male Contraceptives That Reduce Sperm Counts in Mice.
J.Med.Chem., 66, 2023
6TW7
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BU of 6tw7 by Molmil
Leishmania major N-myristoyltransferase in complex with indazole inhibitor IMP-918
分子名称: Glycylpeptide N-tetradecanoyltransferase, MAGNESIUM ION, TETRADECANOYL-COA, ...
著者Brannigan, J.A.
登録日2020-01-12
公開日2021-07-21
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Leishmania major N-myristoyltransferase in complex with indazole inhibitor IMP-918
To Be Published
6TW8
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Leishmania major N-myristoyltransferase in complex with indazole inhibitor IMP-917
分子名称: 1-[5-[4-fluoranyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-2~{H}-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine, Glycylpeptide N-tetradecanoyltransferase, MAGNESIUM ION, ...
著者Brannigan, J.A.
登録日2020-01-12
公開日2021-07-21
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Leishmania major N-myristoyltransferase in complex with indazole inhibitor IMP-917
To Be Published
6TWG
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Solution structure of antimicrobial peptide, crabrolin Plus in the presence of Lipopolysaccharide
分子名称: Crabrolin Plus, mutant of Crabrolin peptide
著者Cantini, F, Bouchemal, N, Savarin, P, Sette, M.
登録日2020-01-13
公開日2020-07-22
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Effect of positive charges in the structural interaction of crabrolin isoforms with lipopolysaccharide.
J.Pept.Sci., 26, 2020
8PSR
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BU of 8psr by Molmil
ERK2 covalently bound to SynthRevD-12-opt artificial peptide
分子名称: GLYCEROL, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Sok, P, Poti, A, Gogl, G, Remenyi, A.
登録日2023-07-13
公開日2024-07-24
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a Michael acceptor-based cyclic warhead scaffold
To Be Published

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件を2024-08-28に公開中

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