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PDB: 22322 件

5S86
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XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010952a
分子名称: 1,2-ETHANEDIOL, 1-aminocyclopropane-1-carboxamide, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, ...
著者Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N.
登録日2020-12-11
公開日2021-06-23
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献XChem group deposition
To Be Published
5S80
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XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010946a
分子名称: 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type-1, ...
著者Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N.
登録日2020-12-11
公開日2021-06-23
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献XChem group deposition
To Be Published
5S7J
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XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM000893d
分子名称: 1,2-ETHANEDIOL, 1-[(2R)-oxolan-2-yl]methanamine, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, ...
著者Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N.
登録日2020-12-11
公開日2021-06-23
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献XChem group deposition
To Be Published
5S77
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XChem group deposition -- Crystal Structure of human ACVR1 in complex with XS035133b
分子名称: 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type-1, ...
著者Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N.
登録日2020-12-11
公開日2021-06-23
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献XChem group deposition
To Be Published
5NSD
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Co-crystal structure of NAMPT dimer with KPT-9274
分子名称: (~{E})-3-(6-azanylpyridin-3-yl)-~{N}-[[5-[4-[4,4-bis(fluoranyl)piperidin-1-yl]carbonylphenyl]-7-(4-fluorophenyl)-1-benzofuran-2-yl]methyl]prop-2-enamide, GLYCEROL, Nicotinamide phosphoribosyltransferase, ...
著者Neggers, J.E, Kwanten, B, Dierckx, T, Noguchi, H, Voet, A, Vercruysse, T, Baloglu, E, Senapedis, W, Jacquemyn, M, Daelemans, D.
登録日2017-04-26
公開日2018-02-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.046 Å)
主引用文献Target identification of small molecules using large-scale CRISPR-Cas mutagenesis scanning of essential genes.
Nat Commun, 9, 2018
5S7U
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XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010938a
分子名称: (4S)-1-methylimidazolidin-4-amine, 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, ...
著者Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N.
登録日2020-12-11
公開日2021-06-23
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献XChem group deposition
To Be Published
5S7B
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XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM000329d
分子名称: (3R)-thiolane-3-carboxylic acid, 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, ...
著者Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N.
登録日2020-12-11
公開日2021-06-23
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献XChem group deposition
To Be Published
5S82
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XChem group deposition -- Crystal Structure of human ACVR1 in complex with XS035128c
分子名称: 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type-1, ...
著者Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N.
登録日2020-12-11
公開日2021-06-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献XChem group deposition
To Be Published
5S7E
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XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010930a
分子名称: (3R)-1,2-oxazolidine-3-carbonitrile, 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, ...
著者Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N.
登録日2020-12-11
公開日2021-06-23
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献XChem group deposition
To Be Published
5SDE
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PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z1619978933
分子名称: 5-fluoro-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,3,6-tetrahydropyridine, Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION
著者Tham, C.T, Coker, J.A, Krojer, T, Foster, W.R, Koekemoer, L, Douangamath, A, Talon, R, Fearon, D, von Delft, F, Yue, W.W, Bountra, C, Bezerra, G.A.
登録日2022-01-20
公開日2022-02-09
実験手法X-RAY DIFFRACTION (1.854 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5SDK
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PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z416341642
分子名称: (2S)-N,2-dimethyl-N-(propan-2-yl)morpholine-4-sulfonamide, Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION
著者Tham, C.T, Coker, J.A, Krojer, T, Foster, W.R, Koekemoer, L, Douangamath, A, Talon, R, Fearon, D, von Delft, F, Yue, W.W, Bountra, C, Bezerra, G.A.
登録日2022-01-20
公開日2022-02-09
実験手法X-RAY DIFFRACTION (1.977 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5T71
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Human carboanhydrase F131C_C206S double mutant in complex with SA-2
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(HYDROXYMERCURY)BENZOIC ACID, 4-[(E)-diazenyl]benzene-1-sulfonamide, ...
著者DuBay, K.H, Iwan, K, Osorio-Planes, L, Geissler, P, Groll, M, Trauner, D, Broichhagen, J.
登録日2016-09-02
公開日2017-09-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献A Predictive Approach for the Optical Control of Carbonic Anhydrase II Activity.
ACS Chem. Biol., 13, 2018
5T8L
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Crystal structure of Snf7 under 350 MPa
分子名称: Vacuolar-sorting protein SNF7
著者Huang, Q, Szebenyi, D.
登録日2016-09-07
公開日2017-08-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of Snf7 under 350 MPa
To Be Published
5TBD
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Crystal Structure of anti-MSP2 Fv fragment (mAb4D11) in complex with 3D7-MSP2 215-222
分子名称: Fv fragment (mAb4D1) heavy chain, Merozoite surface protein 2
著者Seow, J, Morales, R.A.V, MacRaild, C.A, Bankala, K, Drinkwater, N, Dingjan, T, Jaipuria, G, Wilde, K, Anders, R.F, Atreya, H.S, Christ, D, McGowan, S, Norton, R.S.
登録日2016-09-12
公開日2017-02-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure and Characterisation of a Key Epitope in the Conserved C-Terminal Domain of the Malaria Vaccine Candidate MSP2.
J. Mol. Biol., 429, 2017
5T72
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Human carboanhydrase F131C_C206S double mutant in complex with 2
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(HYDROXYMERCURY)BENZOIC ACID, 4-[(E)-(4-aminophenyl)diazenyl]benzenesulfonamide, ...
著者DuBay, K.H, Iwan, K, Osorio-Planes, L, Geissler, P, Groll, M, Trauner, D, Broichhagen, J.
登録日2016-09-02
公開日2017-09-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献A Predictive Approach for the Optical Control of Carbonic Anhydrase II Activity.
ACS Chem. Biol., 13, 2018
5TIE
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BU of 5tie by Molmil
x-ray structure of acyl-CoA thioesterase I, TesA, mutant M141L/Y145K/L146K at pH 7.5 in complex with octanoic acid
分子名称: Acyl-CoA thioesterase I, OCTANOIC ACID (CAPRYLIC ACID)
著者Thoden, J.B, Holden, H.M, Grisewood, M.J, Hernandez Lozada, N.J, Gifford, N.P, Mendez-Perez, D, Schoenberger, H.A, Allan, M.F, Pfleger, B.F, Marines, C.D.
登録日2016-10-02
公開日2017-04-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Computational Redesign of Acyl-ACP Thioesterase with Improved Selectivity toward Medium-Chain-Length Fatty Acids.
ACS Catal, 7, 2017
5QOT
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BU of 5qot by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with Z1592710382
分子名称: 1,2-ETHANEDIOL, 1-(difluoromethyl)-N-[(4-fluorophenyl)methyl]-1H-pyrazole-3-carboxamide, ACETATE ION, ...
著者Nelson, E.R, Velupillai, S, Talon, R, Collins, P.M, Krojer, T, Wang, D, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, Arrowsmith, C.H, Bountra, C, Huber, K, von Delft, F.
登録日2019-02-22
公開日2019-05-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QP8
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PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with PB1787571279
分子名称: 1,2-ETHANEDIOL, ACETATE ION, DCP2 (NUDT20), ...
著者Nelson, E.R, Velupillai, S, Talon, R, Collins, P.M, Krojer, T, Wang, D, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, Arrowsmith, C.H, Bountra, C, Huber, K, von Delft, F.
登録日2019-02-22
公開日2019-05-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QOS
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PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with Z1187701032
分子名称: (3S)-N-(pyrimidin-2-yl)azepan-3-amine, 1,2-ETHANEDIOL, ACETATE ION, ...
著者Nelson, E.R, Velupillai, S, Talon, R, Collins, P.M, Krojer, T, Wang, D, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, Arrowsmith, C.H, Bountra, C, Huber, K, von Delft, F.
登録日2019-02-22
公開日2019-05-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献PanDDA analysis group deposition
To Be Published
2K4G
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BU of 2k4g by Molmil
Solution Structure of a Peptide Nucleic Acid Duplex, 10 structures
分子名称: METHYLAMINE, PNA (N'-(*(GPN)*(GPN)*(CPN)*(APN)*(TPN)*(GPN)*(CPN)*(CPN))-C')
著者He, W, Hatcher, E, Balaeff, A, Beratan, D, Gil, R, Madrid, M, Achim, C.
登録日2008-06-07
公開日2008-09-23
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Solution structure of a peptide nucleic acid duplex from NMR data: features and limitations.
J.Am.Chem.Soc., 130, 2008
5U9X
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Ocellatin-LB2
分子名称: Ocellatin-K1
著者Gusmao, K.A.G, dos Santos, D.M, Santos, V.M, Pilo-Veloso, D, de Lima, M.E, Resende, J.M.
登録日2016-12-18
公開日2017-03-01
実験手法SOLUTION NMR
主引用文献Ocellatin-LB2
To Be Published
5U35
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BU of 5u35 by Molmil
Crystal structure of a de novo designed protein with curved beta-sheet
分子名称: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-METHOXYETHANOL, CHLORIDE ION, ...
著者Oberdorfer, G, Marcos, E, Basanta, B, Chidyausiku, T.M, Sankaran, B, Zwart, P.H, Baker, D.
登録日2016-12-01
公開日2017-01-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Principles for designing proteins with cavities formed by curved beta sheets.
Science, 355, 2017
5O8A
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Crystal Structure of rsEGFP2 in the non-fluorescent off-state determined by SFX
分子名称: Green fluorescent protein
著者Coquelle, N, Sliwa, M, Woodhouse, J, Schiro, G, Adam, V, Aquila, A, Barends, T.R.M, Boutet, S, Byrdin, M, Carbajo, S, De la Mora, E, Doak, R.B, Feliks, M, Fieschi, F, Foucar, L, Guillon, V, Hilpert, M, Hunter, M, Jakobs, S, Koglin, J.E, Kovacsova, G, Lane, T.J, Levy, B, Liang, M, Nass, K, Ridard, J, Robinson, J.S, Roome, C.M, Ruckebusch, C, Seaberg, M, Thepaut, M, Cammarata, M, Demachy, I, Field, M, Shoeman, R.L, Bourgeois, D, Colletier, J.P, Schlichting, I, Weik, M.
登録日2017-06-12
公開日2017-09-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Chromophore twisting in the excited state of a photoswitchable fluorescent protein captured by time-resolved serial femtosecond crystallography.
Nat Chem, 10, 2018
5O9J
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Crystal structure of transcription factor IIB Mja mini-intein
分子名称: 1,4-DIETHYLENE DIOXIDE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, AMMONIUM ION, ...
著者Mikula, K.M, Iwai, H, Zhou, D, Wlodawer, A.
登録日2017-06-19
公開日2017-11-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis for the Persistence of Homing Endonucleases in Transcription Factor IIB Inteins.
J. Mol. Biol., 429, 2017
5O60
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Structure of the 50S large ribosomal subunit from Mycobacterium smegmatis
分子名称: 23S rRNA, 50S ribosomal protein L10, 50S ribosomal protein L11, ...
著者Hentschel, J, Burnside, C, Mignot, I, Leibundgut, M, Boehringer, D, Ban, N.
登録日2017-06-02
公開日2017-07-12
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.18 Å)
主引用文献The Complete Structure of the Mycobacterium smegmatis 70S Ribosome.
Cell Rep, 20, 2017

224004

件を2024-08-21に公開中

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