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PDB: 12895 件
5QTI
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T. brucei FPPS in complex with CID 62483448
分子名称: 3-(2-bromophenoxy)pyridazine, Farnesyl pyrophosphate synthase, GLYCEROL, ...
著者Muenzker, L, Petrick, J.K, Schleberger, C, Cornaciu, I, Marquez, J.A, Jahnke, W.
登録日2019-08-09
公開日2020-10-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.112 Å)
主引用文献T. brucei FPPS in complex with CID 62483448
To Be Published
5QTB
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BU of 5qtb by Molmil
T. brucei FPPS in complex with CID 303798
分子名称: DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Farnesyl pyrophosphate synthase, ...
著者Muenzker, L, Petrick, J.K, Schleberger, C, Jahnke, W.
登録日2019-08-07
公開日2020-10-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.965 Å)
主引用文献T. brucei FPPS in complex with CID 303798
To Be Published
5QTJ
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T. brucei FPPS in complex with CID 47256035
分子名称: Farnesyl pyrophosphate synthase, GLYCEROL, N-[(2-chloro-6-fluorophenyl)methyl]-N,2-dimethylpyrimidine-4-carboxamide, ...
著者Muenzker, L, Petrick, J.K, Schleberger, C, Cornaciu, I, Marquez, J.A, Jahnke, W.
登録日2019-08-09
公開日2020-10-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献T. brucei FPPS in complex with CID 47256035
To Be Published
5QTA
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BU of 5qta by Molmil
T. brucei FPPS in complex with CID 2804072
分子名称: 1,3-dichloro-2-[(methylsulfonyl)methyl]benzene, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Muenzker, L, Petrick, J.K, Schleberger, C, Jahnke, W.
登録日2019-08-07
公開日2020-10-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.113 Å)
主引用文献T. brucei FPPS in complex with CID 2804072
To Be Published
2AAI
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BU of 2aai by Molmil
Crystallographic refinement of ricin to 2.5 Angstroms
分子名称: RICIN (A CHAIN), RICIN (B CHAIN), alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Rutenber, E, Katzin, B.J, Montfort, W, Villafranca, J.E, Ernst, S.R, Collins, E.J, Mlsna, D, Monzingo, A.F, Ready, M.P, Robertus, J.D.
登録日1993-09-07
公開日1994-01-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystallographic refinement of ricin to 2.5 A.
Proteins, 10, 1991
5RLJ
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BU of 5rlj by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1407673036
分子名称: (2S)-2-phenylpropane-1-sulfonamide, Helicase, PHOSPHATE ION, ...
著者Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2020-09-16
公開日2020-09-30
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.879 Å)
主引用文献Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
5RM2
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BU of 5rm2 by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1741964527
分子名称: 1-(diphenylmethyl)azetidin-3-ol, Helicase, PHOSPHATE ION, ...
著者Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2020-09-16
公開日2020-09-30
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
5RL8
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BU of 5rl8 by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z53825177
分子名称: Helicase, N-(2-fluorophenyl)ethanesulfonamide, PHOSPHATE ION, ...
著者Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2020-09-16
公開日2020-09-30
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
5RMH
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BU of 5rmh by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1101755952
分子名称: Helicase, PHOSPHATE ION, ZINC ION, ...
著者Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2020-09-16
公開日2020-09-30
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.021 Å)
主引用文献Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
5RLQ
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BU of 5rlq by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z285782452
分子名称: Helicase, N-methyl-2-(methylsulfonyl)aniline, PHOSPHATE ION, ...
著者Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2020-09-16
公開日2020-09-30
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.225 Å)
主引用文献Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
5RM9
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BU of 5rm9 by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z2856434942
分子名称: Helicase, PHOSPHATE ION, ZINC ION, ...
著者Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2020-09-16
公開日2020-09-30
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.076 Å)
主引用文献Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
5RLI
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BU of 5rli by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z45617795
分子名称: Helicase, N-(2-phenylethyl)methanesulfonamide, PHOSPHATE ION, ...
著者Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2020-09-16
公開日2020-09-30
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
5RLT
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BU of 5rlt by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z53116498
分子名称: 3-(2-methyl-1H-benzimidazol-1-yl)propanamide, Helicase, PHOSPHATE ION, ...
著者Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2020-09-16
公開日2020-09-30
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
5RMB
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BU of 5rmb by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z2856434920
分子名称: Helicase, PHOSPHATE ION, ZINC ION, ...
著者Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2020-09-16
公開日2020-09-30
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.206 Å)
主引用文献Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
5RLK
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BU of 5rlk by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1509882419
分子名称: 1-(propan-2-yl)-1H-imidazole-4-sulfonamide, Helicase, PHOSPHATE ION, ...
著者Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2020-09-16
公開日2020-09-30
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.956 Å)
主引用文献Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
5RM1
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BU of 5rm1 by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z426041412
分子名称: Helicase, N-[4-(aminomethyl)phenyl]methanesulfonamide, PHOSPHATE ION, ...
著者Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2020-09-16
公開日2020-09-30
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.896 Å)
主引用文献Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
5RMK
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PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1273312153
分子名称: Helicase, N-methyl-1H-indole-7-carboxamide, PHOSPHATE ION, ...
著者Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2020-09-16
公開日2020-09-30
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
4JLS
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BU of 4jls by Molmil
Crystal Structure of E. coli XGPRT in complex with (3R,4S)-4-(Guanin-9-yl)-3-hydroxypyrrolidin-1-N-ylacetylphosphonic acid
分子名称: Xanthine phosphoribosyltransferase, {2-[(3S,4R)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl}phosphonic acid
著者Keough, D.T, Hockova, D, Rejman, D, Spacek, P, Vrbkova, S, Krecmerova, M, Eng, W.S, Jans, H, West, N.P, Naesens, L.M.J, de Jersey, J, Guddat, L.W.
登録日2013-03-12
公開日2014-12-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Inhibition of the Escherichia coli 6-oxopurine phosphoribosyltransferases by nucleoside phosphonates: potential for new antibacterial agents.
J.Med.Chem., 56, 2013
7C7X
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BU of 7c7x by Molmil
Structural insights into nucleosome reorganization by NAP1-RELATED PROTEIN 1 (NRP1)
分子名称: GLYCEROL, Histone H2A.6, Histone H2B.1, ...
著者Luo, Q, Baihui, W.
登録日2020-05-27
公開日2020-11-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献NAP1-Related Protein 1 (NRP1) has multiple interaction modes for chaperoning histones H2A-H2B.
Proc.Natl.Acad.Sci.USA, 117, 2020
6KZ5
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BU of 6kz5 by Molmil
Crystal Structure Analysis of the Csn-B-bounded NUR77 Ligand binding Domain
分子名称: Nuclear receptor subfamily 4 group A member 1, ethyl 2-[2-octanoyl-3,5-bis(oxidanyl)phenyl]ethanoate
著者Hong, W, Chen, H, Wu, Q, Lin, T.
登録日2019-09-23
公開日2020-10-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (4.45 Å)
主引用文献Blocking PPAR gamma interaction facilitates Nur77 interdiction of fatty acid uptake and suppresses breast cancer progression.
Proc.Natl.Acad.Sci.USA, 117, 2020
4KGS
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BU of 4kgs by Molmil
Backbone Modifications in the Protein GB1 Loops: beta-3-Val21, beta-3-Asp40
分子名称: GLYCEROL, Streptococcal Protein GB1 Backbone Modified Variant: beta-3-Val21, beta-3-Asp40
著者Reinert, Z.E, Lengyel, G.A, Horne, W.S.
登録日2013-04-29
公開日2013-09-04
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Protein-like Tertiary Folding Behavior from Heterogeneous Backbones.
J.Am.Chem.Soc., 135, 2013
4KCA
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BU of 4kca by Molmil
Crystal Structure of Endo-1,5-alpha-L-arabinanase from a Bovine Ruminal Metagenomic Library
分子名称: Endo-1,5-alpha-L-arabinanase, GLYCEROL, IODIDE ION, ...
著者Santos, C.R, Polo, C.C, Costa, M.C.M.F, Nascimento, A.F.Z, Wong, D.W.S, Murakami, M.T.
登録日2013-04-24
公開日2014-02-05
最終更新日2014-04-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Mechanistic strategies for catalysis adopted by evolutionary distinct family 43 arabinanases.
J.Biol.Chem., 289, 2014
4KGR
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BU of 4kgr by Molmil
Backbone Modifications in the Protein GB1 Helix: beta-3-Ala24, beta-3-Lys28, beta-3-Lys31, beta-3-Asn35
分子名称: GLYCEROL, Streptococcal Protein GB1 Backbone Modified Variant: beta-3-Ala24, beta-3-Lys28, ...
著者Reinert, Z.E, Lengyel, G.A, Horne, W.S.
登録日2013-04-29
公開日2013-09-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Protein-like Tertiary Folding Behavior from Heterogeneous Backbones.
J.Am.Chem.Soc., 135, 2013
1TZZ
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BU of 1tzz by Molmil
Crystal structure of the protein L1841, unknown member of enolase superfamily from Bradyrhizobium japonicum
分子名称: Hypothetical protein L1841, MAGNESIUM ION
著者Fedorov, A.A, Fedorov, E.V, Yew, W.S, Gerlt, J.A, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2004-07-12
公開日2004-10-05
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Crystal structure of the protein L1841, unknown member of enolase superfamily from Bradyrhizobium japonicum
To be Published
1U9E
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BU of 1u9e by Molmil
CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR BETA COMPLEXED WITH WAY-397
分子名称: 2-(4-HYDROXY-PHENYL)BENZOFURAN-5-OL, Estrogen receptor beta, STEROID RECEPTOR COACTIVATOR-1
著者Manas, E.S, Unwalla, R.J, Xu, Z.B, Malamas, M.S, Miller, C.P, Harris, H.A, Hsiao, C, Akopian, T, Hum, W.T, Malakian, K, Wolfrom, S, Bapat, A, Bhat, R.A, Stahl, M.L, Somers, W.S, Alvarez, J.C.
登録日2004-08-09
公開日2005-03-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-Based Design Of Estrogen Receptor-beta Selective Ligands
J.Am.Chem.Soc., 126, 2004

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