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PDB: 88675 件

8D79
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Crystal structure of a four-tetrad, parallel, and Na+ stabilized Tetrahymena thermophila telomeric G-quadruplex in complex with N-methyl mesoporphyrin IX
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*TP*GP*GP*GP*GP*TP*TP*GP*GP*GP*GP*TP*TP*GP*GP*GP*GP*TP*TP*GP*GP*GP*GP*T)-3'), N-METHYLMESOPORPHYRIN, ...
著者Chen, E.V, Beseiso, D, Yatsunyk, L.A.
登録日2022-06-07
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Biophysical and structural characterization of telomeric G-quadruplexes from Tetrahymena thermophila in complex with N-Methyl Mesoporphyrin IX
To Be Published
6O29
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BU of 6o29 by Molmil
Crystal structure of 4493 Fab in complex with circumsporozoite protein NPDP and anti-kappa VHH domain
分子名称: 1,2-ETHANEDIOL, 4493 Fab heavy chain, 4493 Kappa light chain, ...
著者Scally, S.W, Bosch, A, Prieto, K, Murugan, R, Wardemann, H, Julien, J.P.
登録日2019-02-22
公開日2020-07-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Evolution of protective human antibodies against Plasmodium falciparum circumsporozoite protein repeat motifs.
Nat. Med., 26, 2020
8S8A
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Human pyridoxal phosphatase in complex with 7,8-dihydroxyflavone without phosphate
分子名称: 7,8-bis(oxidanyl)-2-phenyl-chromen-4-one, CHLORIDE ION, Chronophin, ...
著者Brenner, M, Gohla, A, Schindelin, H.
登録日2024-03-06
公開日2024-06-12
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献7,8-Dihydroxyflavone is a direct inhibitor of human and murine pyridoxal phosphatase.
Elife, 13, 2024
6PT6
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Crystal structure of PsS1_NC C84S in complex with i-neocarratetraose
分子名称: 3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose, CALCIUM ION, exo-2S-iota carrageenan S1 sulfatase
著者Hettle, A.G, Boraston, A.B.
登録日2019-07-15
公開日2019-09-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Insights into the kappa / iota-carrageenan metabolism pathway of some marinePseudoalteromonasspecies.
Commun Biol, 2, 2019
5LFY
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BU of 5lfy by Molmil
Zinc bound dimer of the fragment of human amyloid-beta peptide with Alzheimer's disease pathogenic Taiwanese mutation D7H
分子名称: Amyloid beta A4 protein, ZINC ION
著者Polshakov, V.I, Mantsyzov, A.B, Kozin, S.A.
登録日2016-07-05
公開日2017-08-23
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献A Binuclear Zinc Interaction Fold Discovered in the Homodimer of Alzheimer's Amyloid-beta Fragment with Taiwanese Mutation D7H.
Angew. Chem. Int. Ed. Engl., 56, 2017
6O2A
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BU of 6o2a by Molmil
Crystal structure of 4493 Fab in complex with circumsporozoite protein NDN and anti-kappa VHH domain
分子名称: 1,2-ETHANEDIOL, 4493 Fab heavy chain, 4493 Kappa light chain, ...
著者Scally, S.W, Bosch, A, Prieto, K, Murugan, R, Wardemann, H, Julien, J.P.
登録日2019-02-22
公開日2020-07-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Evolution of protective human antibodies against Plasmodium falciparum circumsporozoite protein repeat motifs.
Nat. Med., 26, 2020
6VV6
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Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB113
分子名称: 1-(4-fluorophenyl)-5-[3-(1H-indol-3-yl)propoxy]-1H-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ...
著者Ribeiro, J.A, Dias, M.V.B, Chaves-Pacheco, S.M.
登録日2020-02-17
公開日2020-07-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.235 Å)
主引用文献Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020
7MH6
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Structure of EmrE-D3 mutant in complex with monobody L10 in low pH (protonated state)
分子名称: Monobody L10, Multidrug transporter EmrE
著者Kermani, A.A, Stockbridge, R.B.
登録日2021-04-14
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Crystal structures of bacterial small multidrug resistance transporter EmrE in complex with structurally diverse substrates.
Elife, 11, 2022
6NR8
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hTRiC-hPFD Class6
分子名称: Prefoldin subunit 1, Prefoldin subunit 2, Prefoldin subunit 3, ...
著者Gestaut, D.R, Roh, S.H, Ma, B, Pintilie, G, Joachimiak, L.A, Leitner, A, Walzthoeni, T, Aebersold, R, Chiu, W, Frydman, J.
登録日2019-01-23
公開日2019-06-19
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (7.8 Å)
主引用文献The Chaperonin TRiC/CCT Associates with Prefoldin through a Conserved Electrostatic Interface Essential for Cellular Proteostasis.
Cell, 177, 2019
6PXL
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3.74 Angstroms resolution structure of HlsU with an axial-channel plug
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent protease ATPase subunit HslU, MAGNESIUM ION, ...
著者Baytshtok, V, Grant, R.A, Sauer, R.T.
登録日2019-07-26
公開日2020-07-29
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.741 Å)
主引用文献Heat activates the AAA+ HslUV protease by melting an axial autoinhibitory plug.
Cell Rep, 34, 2021
7MGX
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Structure of EmrE-D3 mutant in complex with monobody L10 and methyl viologen
分子名称: 1,1'-dimethyl-4,4'-bipyridin-1-ium, L10 Monobody, Multidrug transporter EmrE
著者Kermani, A.A, Stockbridge, R.B.
登録日2021-04-13
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.13 Å)
主引用文献Crystal structures of bacterial small multidrug resistance transporter EmrE in complex with structurally diverse substrates.
Elife, 11, 2022
6VW0
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BU of 6vw0 by Molmil
Mycobacterium tuberculosis RNAP S456L mutant open promoter complex
分子名称: DNA (65-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Lilic, M, Boyaci, H, Chen, J, Darst, S.A, Campbell, E.A.
登録日2020-02-18
公開日2020-10-21
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.59 Å)
主引用文献The antibiotic sorangicin A inhibits promoter DNA unwinding in a Mycobacterium tuberculosis rifampicin-resistant RNA polymerase.
Proc.Natl.Acad.Sci.USA, 117, 2020
8D0Y
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Crystal Structure of HIV-1 BG505 SOSIPv8 Trimer in Complex with CD4bs targeting antibody 21N13 and interface targeting antibody 35O22 at 4.7 Angstrom
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, 35O22scFv Heavy Chain Variable, ...
著者Xian, Y, Wilson, I.A.
登録日2022-05-26
公開日2023-07-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (4.7 Å)
主引用文献The domain-swaped dimer of the HIV-1 CD4bs targeting antibody 21N13
To Be Published
7AKL
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BU of 7akl by Molmil
Structure of DYRK1A in complex with compound 50
分子名称: 4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Dokurno, P, Surgenor, A.E, Kotschy, A.
登録日2020-10-01
公開日2021-05-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
8CU1
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Structure of a K+ selective NaK mutant (NaK2K, Laue diffraction) in the presence of an electric field of ~0.8MV/cm along the crystallographic z axis, 500ns, with eightfold extrapolation of structure factor differences
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein, ...
著者Lee, B, White, K.I, Socolich, M.A, Klureza, M.A, Henning, R, Srajer, V, Ranganathan, R, Hekstra, D.
登録日2022-05-16
公開日2023-07-26
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Direct visualization of electric field-stimulated ion conduction in a potassium channel
To Be Published
7AJ2
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Structure of DYRK1A in complex with compound 3
分子名称: 4-(4-methoxyphenyl)pyridin-2-amine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Dokurno, P, Surgenor, A.E, Kotschy, A.
登録日2020-09-28
公開日2021-05-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
8CU3
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Structure of a K+ selective NaK mutant (NaK2K, Laue diffraction) in the presence of an electric field of ~0.8MV/cm along the crystallographic z axis, 200ns, with eightfold extrapolation of structure factor differences
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein, ...
著者Lee, B, White, K.I, Socolich, M.A, Klureza, M.A, Henning, R, Srajer, V, Ranganathan, R, Hekstra, D.
登録日2022-05-16
公開日2023-07-26
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Direct visualization of electric field-stimulated ion conduction in a potassium channel
To Be Published
7AJ8
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Structure of DYRK1A in complex with compound 25
分子名称: 4-(1-benzofuran-5-yl)pyridin-2-amine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Dokurno, P, Surgenor, A.E, Kotschy, A.
登録日2020-09-28
公開日2021-05-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
6ZFC
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BU of 6zfc by Molmil
Fucose-binding lectin from Burkholderia ambifaria (BamBL) in complex with a fucosyl derivative
分子名称: 2-[(2~{S},3~{S},4~{R},4~{a}~{S},10~{a}~{S})-2-methyl-3,4-bis(oxidanyl)-3,4,4~{a},10~{a}-tetrahydro-2~{H}-pyrano[2,3-b][1,4]benzoxathiin-7-yl]-~{N}-(3-oxidanylpropyl)ethanamide, bacterial lectin from Burkholderia ambifaria
著者Kuhaudomlarp, S, Gillon, E, Fragai, M, Cerofolini, L, Giuntini, S, Denis, M, Santarsia, S, Valori, C, Dondoni, A, Fallarini, S, Lombardi, G, Nativi, C, Imberty, A.
登録日2020-06-17
公開日2020-10-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Fucosylated ubiquitin and orthogonally glycosylated mutant A28C: conceptually new ligands for Burkholderia ambifaria lectin (BambL).
Chem Sci, 11, 2020
7AKF
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Structure of DYRK2 in complex with compound 50
分子名称: 4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 2
著者Dokurno, P, Surgenor, A.E, Kotschy, A.
登録日2020-09-30
公開日2021-05-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
7AJ7
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Structure of DYRK1A in complex with compound 16
分子名称: 4-(3-methylbenzimidazol-5-yl)pyridine-2,6-diamine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Dokurno, P, Surgenor, A.E, Kotschy, A.
登録日2020-09-28
公開日2021-05-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
7AJS
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BU of 7ajs by Molmil
Structure of DYRK1A in complex with compound 33
分子名称: 4-(2-methyl-1-benzofuran-5-yl)pyridine-2,6-diamine, DIMETHYL SULFOXIDE, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ...
著者Dokurno, P, Surgenor, A.E, Kotschy, A.
登録日2020-09-29
公開日2021-05-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
7AJ5
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Structure of DYRK1A in complex with compound 10
分子名称: 4-(1-benzofuran-5-yl)pyridine-2,6-diamine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Dokurno, P, Surgenor, A.E, Kotschy, A.
登録日2020-09-28
公開日2021-05-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
7AJM
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BU of 7ajm by Molmil
Structure of DYRK1A in complex with compound 32
分子名称: DIMETHYL SULFOXIDE, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ~{N}-[6-azanyl-4-(1-benzofuran-5-yl)pyridin-2-yl]-2-(methylamino)ethanamide
著者Dokurno, P, Surgenor, A.E, Kotschy, A.
登録日2020-09-29
公開日2021-05-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
6W01
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The 1.9 A Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with a Citrate
分子名称: 1,2-ETHANEDIOL, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ...
著者Kim, Y, Jedrzejczak, R, Maltseva, N, Endres, M, Godzik, A, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-02-28
公開日2020-03-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of Nsp15 endoribonuclease NendoU from SARS-CoV-2.
Protein Sci., 29, 2020

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件を2024-07-31に公開中

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