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7IBU
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BU of 7ibu by Molmil
PanDDA analysis group deposition -- SARS-CoV-2 Nsp1 crystal Apo02 (dataset 1) from the KIT library screening campaign, data used for ground state calculation
分子名称: Host translation inhibitor nsp1
著者Lennartz, F, Weiss, M.S.
登録日2025-05-27
公開日2025-10-22
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Crystallographic fragment screening against SARS-CoV-2 nonstructural protein 1 using the F2X-Entry Screen and a newly developed fragment library.
Acta Crystallogr D Struct Biol, 2025
7ICW
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BU of 7icw by Molmil
PanDDA analysis group deposition -- SARS-CoV-2 Nsp1 crystal B11 (dataset 1) from the KIT library screening campaign, data used for ground state calculation
分子名称: Host translation inhibitor nsp1
著者Lennartz, F, Weiss, M.S.
登録日2025-05-27
公開日2025-10-22
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Crystallographic fragment screening against SARS-CoV-2 nonstructural protein 1 using the F2X-Entry Screen and a newly developed fragment library.
Acta Crystallogr D Struct Biol, 2025
7ID4
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BU of 7id4 by Molmil
PanDDA analysis group deposition -- SARS-CoV-2 Nsp1 crystal C06 (dataset 1) from the KIT library screening campaign, data used for ground state calculation
分子名称: Host translation inhibitor nsp1
著者Lennartz, F, Weiss, M.S.
登録日2025-05-27
公開日2025-10-22
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Crystallographic fragment screening against SARS-CoV-2 nonstructural protein 1 using the F2X-Entry Screen and a newly developed fragment library.
Acta Crystallogr D Struct Biol, 2025
7IC5
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BU of 7ic5 by Molmil
PanDDA analysis group deposition -- SARS-CoV-2 Nsp1 crystal B02 (dataset 1) from the KIT library screening campaign, data used for ground state calculation
分子名称: Host translation inhibitor nsp1
著者Lennartz, F, Weiss, M.S.
登録日2025-05-27
公開日2025-10-22
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Crystallographic fragment screening against SARS-CoV-2 nonstructural protein 1 using the F2X-Entry Screen and a newly developed fragment library.
Acta Crystallogr D Struct Biol, 2025
7IBM
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BU of 7ibm by Molmil
PanDDA analysis group deposition -- SARS-CoV-2 Nsp1 crystal A05 (dataset 1) from the KIT library screening campaign, data used for ground state calculation
分子名称: Host translation inhibitor nsp1
著者Lennartz, F, Weiss, M.S.
登録日2025-05-27
公開日2025-10-22
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Crystallographic fragment screening against SARS-CoV-2 nonstructural protein 1 using the F2X-Entry Screen and a newly developed fragment library.
Acta Crystallogr D Struct Biol, 2025
7IC7
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BU of 7ic7 by Molmil
PanDDA analysis group deposition -- SARS-CoV-2 Nsp1 crystal B04 (dataset 1) from the KIT library screening campaign, data used for ground state calculation
分子名称: Host translation inhibitor nsp1
著者Lennartz, F, Weiss, M.S.
登録日2025-05-27
公開日2025-10-22
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Crystallographic fragment screening against SARS-CoV-2 nonstructural protein 1 using the F2X-Entry Screen and a newly developed fragment library.
Acta Crystallogr D Struct Biol, 2025
7IEL
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BU of 7iel by Molmil
PanDDA analysis group deposition -- SARS-CoV-2 Nsp1 crystal H09 (dataset 1) from the KIT library screening campaign, data used for ground state calculation
分子名称: Host translation inhibitor nsp1
著者Lennartz, F, Weiss, M.S.
登録日2025-05-27
公開日2025-10-22
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Crystallographic fragment screening against SARS-CoV-2 nonstructural protein 1 using the F2X-Entry Screen and a newly developed fragment library.
Acta Crystallogr D Struct Biol, 2025
6FFE
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BU of 6ffe by Molmil
Human BRD2 C-terminal bromodomain with 2-((4-acetyl-3-cyclopropyl-3,4-dihydroquinoxalin-1(2H)-yl)methyl)benzoic acid
分子名称: 1,2-ETHANEDIOL, 2-((4-acetyl-3-cyclopropyl-3,4-dihydroquinoxalin-1(2H)-yl)methyl)benzoic acid, Bromodomain-containing protein 2, ...
著者Chung, C.
登録日2018-01-07
公開日2019-01-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Discovery of Tetrahydroquinoxalines as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with Selectivity for the Second Bromodomain.
J.Med.Chem., 61, 2018
7IDW
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BU of 7idw by Molmil
PanDDA analysis group deposition -- SARS-CoV-2 Nsp1 crystal E11 (dataset 1) from the KIT library screening campaign, data used for ground state calculation
分子名称: Host translation inhibitor nsp1
著者Lennartz, F, Weiss, M.S.
登録日2025-05-27
公開日2025-10-22
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Crystallographic fragment screening against SARS-CoV-2 nonstructural protein 1 using the F2X-Entry Screen and a newly developed fragment library.
Acta Crystallogr D Struct Biol, 2025
7IE3
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BU of 7ie3 by Molmil
PanDDA analysis group deposition -- SARS-CoV-2 Nsp1 crystal F08 (dataset 1) from the KIT library screening campaign, data used for ground state calculation
分子名称: Host translation inhibitor nsp1
著者Lennartz, F, Weiss, M.S.
登録日2025-05-27
公開日2025-10-22
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Crystallographic fragment screening against SARS-CoV-2 nonstructural protein 1 using the F2X-Entry Screen and a newly developed fragment library.
Acta Crystallogr D Struct Biol, 2025
7IDS
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BU of 7ids by Molmil
PanDDA analysis group deposition -- SARS-CoV-2 Nsp1 crystal E07 (dataset 1) from the KIT library screening campaign, data used for ground state calculation
分子名称: Host translation inhibitor nsp1
著者Lennartz, F, Weiss, M.S.
登録日2025-05-27
公開日2025-10-22
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Crystallographic fragment screening against SARS-CoV-2 nonstructural protein 1 using the F2X-Entry Screen and a newly developed fragment library.
Acta Crystallogr D Struct Biol, 2025
7UJ2
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BU of 7uj2 by Molmil
OspC Type B
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Outer surface protein C
著者Rudolph, M.J, Mantis, N.
登録日2022-03-30
公開日2023-04-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.503 Å)
主引用文献Structural Elucidation of a Protective B Cell Epitope on Outer Surface Protein C (OspC) of the Lyme Disease Spirochete, Borreliella burgdorferi.
Mbio, 14, 2023
7IBJ
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BU of 7ibj by Molmil
PanDDA analysis group deposition -- SARS-CoV-2 Nsp1 crystal A01 (dataset 1) from the KIT library screening campaign, data used for ground state calculation
分子名称: Host translation inhibitor nsp1
著者Lennartz, F, Weiss, M.S.
登録日2025-05-27
公開日2025-10-22
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Crystallographic fragment screening against SARS-CoV-2 nonstructural protein 1 using the F2X-Entry Screen and a newly developed fragment library.
Acta Crystallogr D Struct Biol, 2025
7FW7
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BU of 7fw7 by Molmil
Crystal Structure of human FABP4 in complex with 2-[(3-chloro-4-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid, i.e. SMILES C(=O)([C@H]1[C@@H](C(=O)O)CCCC1)Nc1cc(c(cc1)F)Cl with IC50=12.0427 microM
分子名称: (1S,2S)-2-[(3-chloro-4-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid, Fatty acid-binding protein, adipocyte, ...
著者Ehler, A, Benz, J, Obst, U, Brunner, M, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2025-08-13
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献A high-resolution data set of fatty acid-binding protein structures. III. Unexpectedly high occurrence of wrong ligands.
Acta Crystallogr D Struct Biol, 81, 2025
7G1T
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BU of 7g1t by Molmil
Crystal Structure of human FABP4 in complex with 6-methyl-3-phenyl-1,2,4-triazin-5-ol
分子名称: 6-methyl-3-phenyl-1,2,4-triazin-5-ol, Fatty acid-binding protein, adipocyte, ...
著者Ehler, A, Benz, J, Obst, U, Brunner, M, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2025-08-13
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献A high-resolution data set of fatty acid-binding protein structures. III. Unexpectedly high occurrence of wrong ligands.
Acta Crystallogr D Struct Biol, 81, 2025
6Q0Y
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BU of 6q0y by Molmil
Crystal structure of MurA from Clostridium difficile, mutant C116S, in the presence of Uridine-Diphosphate-N-Acetylglucosamine
分子名称: 1,2-ETHANEDIOL, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE
著者Dopkins, B.J, Call, C.J, Thoden, J.B, Holden, H.M.
登録日2019-08-02
公開日2019-11-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of MurA from Clostridium difficile, mutant C116S, in the presence of Uridine-Diphosphate-N-Acetylglucosamine
To Be Published
4YLK
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BU of 4ylk by Molmil
Crystal structure of DYRK1A in complex with 10-Chloro-substituted 11H-indolo[3,2-c]quinolone-6-carboxylic acid inhibitor 5s
分子名称: 1,2-ETHANEDIOL, 10-chloro-2-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ...
著者Chaikuad, A, Falke, H, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Kunick, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2015-03-05
公開日2015-03-25
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献10-Iodo-11H-indolo[3,2-c]quinoline-6-carboxylic Acids Are Selective Inhibitors of DYRK1A.
J.Med.Chem., 58, 2015
9N2C
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BU of 9n2c by Molmil
Impacts of ribosomal RNA sequence variation on gene expression and phenotype: Cryo-EM structure of the rrsH ribosome (HBB-70S)
分子名称: 1,4-DIAMINOBUTANE, 16S ribosomal RNA (rRNA) from the rrnH operon, 23S ribosomal RNA (rRNA) from the rrnB operon, ...
著者Welfer, G.A, Brady, R.A, Natchiar, S.K, Watson, Z.L, Rundlet, E.J, Alejo, J.L, Singh, A.P, Mishra, N.K, Altman, R.B, Blanchard, S.C.
登録日2025-01-28
公開日2025-03-19
実験手法ELECTRON MICROSCOPY (2.4 Å)
主引用文献Impacts of ribosomal RNA sequence variation on gene expression and phenotype.
Philos.Trans.R.Soc.Lond.B Biol.Sci., 380, 2025
6FD1
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BU of 6fd1 by Molmil
7-FE FERREDOXIN FROM AZOTOBACTER VINELANDII LOW TEMPERATURE, 1.35 A
分子名称: 7-FE FERREDOXIN I (FD1), FE3-S4 CLUSTER, IRON/SULFUR CLUSTER
著者Stout, C.D, Stura, E.A, Mcree, D.E.
登録日1997-09-17
公開日1997-11-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structure of Azotobacter vinelandii 7Fe ferredoxin at 1.35 A resolution and determination of the [Fe-S] bonds with 0.01 A accuracy.
J.Mol.Biol., 278, 1998
5Z7A
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BU of 5z7a by Molmil
Crystal structure of NDP52 SKICH region
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Calcium-binding and coiled-coil domain-containing protein 2, GLYCEROL, ...
著者Pan, L.F, Fu, T, Liu, J.P, Xie, X.Q.
登録日2018-01-27
公開日2019-01-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Mechanistic insights into the interactions of NAP1 with the SKICH domains of NDP52 and TAX1BP1
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
8TP7
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BU of 8tp7 by Molmil
H2 hemagglutinin (A/Singapore/1/1957) in complex with Sa-targeting Fab 4-1-1G03
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of monoclonal antibody 4-1-1G03, ...
著者Yang, Y.R, Han, J, Perrett, H.R, Ward, A.B.
登録日2023-08-04
公開日2023-10-11
最終更新日2025-02-26
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Immune memory shapes human polyclonal antibody responses to H2N2 vaccination.
Cell Rep, 43, 2024
3ZUC
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BU of 3zuc by Molmil
Structure of CBM3b of major scaffoldin subunit ScaA from Acetivibrio cellulolyticus determined from the crystals grown in the presence of Nickel
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, CELLULOSOMAL SCAFFOLDIN, ...
著者Yaniv, O, Halfon, Y, Lamed, R, Frolow, F.
登録日2011-07-18
公開日2012-01-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.001 Å)
主引用文献Structure of Cbm3B of the Major Scaffoldin Subunit Scaa from Acetivibrio Cellulolyticus
Acta Crystallogr.,Sect.F, 68, 2012
4YCT
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BU of 4yct by Molmil
Endothiapepsin in complex with fragment 216
分子名称: 1,2-ETHANEDIOL, 4-(trifluoromethyl)benzenecarboximidamide, ACETATE ION, ...
著者Stieler, M, Heine, A, Klebe, G.
登録日2015-02-20
公開日2016-03-02
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
2XIO
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BU of 2xio by Molmil
Structure of putative deoxyribonuclease TATDN1 isoform a
分子名称: 1,2-ETHANEDIOL, NICKEL (II) ION, PUTATIVE DEOXYRIBONUCLEASE TATDN1, ...
著者Muniz, J.R.C, Cocking, R, Puranik, S, Krojer, T, Raynor, J, Vollmar, M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Yue, W.W, Kavanagh, K.L, Oppermann, U.
登録日2010-06-30
公開日2010-07-14
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Structure of Putative Deoxyribonuclease Tatdn1 Isoform A
To be Published
8TP4
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BU of 8tp4 by Molmil
H2 hemagglutinin (A/Singapore/1/1957) in complex with RBS-targeting Fab 1-1-1E04
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, Heavy chain of Fab 1-1-1E04, ...
著者Yang, Y.R, Han, J, Perrett, H.R, Ward, A.B.
登録日2023-08-04
公開日2023-10-11
最終更新日2025-06-04
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Immune memory shapes human polyclonal antibody responses to H2N2 vaccination.
Cell Rep, 43, 2024

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件を2025-10-29に公開中

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