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6PGA
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BU of 6pga by Molmil
WDR5delta32 bound to methyl (4-(4-(hydroxymethyl)-1H-imidazol-2-yl)butyl)carbamate
分子名称: SULFATE ION, WD repeat-containing protein 5, methyl {4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate
著者Dennis, M.L, Peat, T.S.
登録日2019-06-24
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019
1FOD
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BU of 1fod by Molmil
STRUCTURE OF A MAJOR IMMUNOGENIC SITE ON FOOT-AND-MOUTH DISEASE VIRUS
分子名称: FOOT AND MOUTH DISEASE VIRUS
著者Logan, D.T, Lea, S, Lewis, R, Stuart, D, Fry, E.
登録日1993-10-27
公開日1994-01-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of a major immunogenic site on foot-and-mouth disease virus.
Nature, 362, 1993
7B3Y
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BU of 7b3y by Molmil
Structure of a nanoparticle for a COVID-19 vaccine candidate
分子名称: Fibronectin binding protein,2-dehydro-3-deoxyphosphogluconate aldolase/4-hydroxy-2-oxoglutarate aldolase
著者Duyvesteyn, H.M.E, Stuart, D.I.
登録日2020-12-01
公開日2021-01-13
最終更新日2021-02-03
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献A COVID-19 vaccine candidate using SpyCatcher multimerization of the SARS-CoV-2 spike protein receptor-binding domain induces potent neutralising antibody responses.
Nat Commun, 12, 2021
7K4O
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BU of 7k4o by Molmil
Tannin acyl hydrolase from Aspergillus niger
分子名称: 2-[2-(2-ethoxyethoxy)ethoxy]ethanol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Ren, B.
登録日2020-09-15
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of fungal tannase from Aspergillus niger.
Acta Crystallogr D Struct Biol, 77, 2021
6G0Q
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BU of 6g0q by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with an acetylated GATA1 peptide (K312ac/K315ac)
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, Erythroid transcription factor
著者Filippakopoulos, P, Picaud, S, Newman, J, Sorrell, F, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C.
登録日2018-03-19
公開日2018-11-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains.
Mol. Cell, 73, 2019
6G0O
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BU of 6g0o by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with an acetylated ATRX peptide (K1030ac/K1033ac)
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, Transcriptional regulator ATRX
著者Filippakopoulos, P, Picaud, S, Newman, J, Sorrell, F, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C.
登録日2018-03-19
公開日2018-11-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains.
Mol. Cell, 73, 2019
2BFN
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BU of 2bfn by Molmil
The crystal structure of the complex of the haloalkane dehalogenase LinB with the product of dehalogenation reaction 1,2-dichloropropane.
分子名称: (2S)-2,3-DICHLOROPROPAN-1-OL, CALCIUM ION, CHLORIDE ION, ...
著者Banas, P, Otyepka, M, Jerabek, P, Vevodova, J, Bohac, M, Damborsky, J.
登録日2004-12-09
公開日2006-06-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Weak Activity of Haloalkane Dehalogenase Linb with 1,2,3-Trichloropropane Revealed by X-Ray Crystallography and Microcalorimetry
Appl.Environ.Microbiol., 73, 2007
5MU6
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BU of 5mu6 by Molmil
Human N-myristoyltransferase (NMT1) with Myristoyl-CoA and IMP-1088 inhibitor bound
分子名称: 1-[5-[3,4-bis(fluoranyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-1-methyl-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine, GLYCEROL, Glycylpeptide N-tetradecanoyltransferase 1, ...
著者Perez-Dorado, I, Bell, A.S, Tate, E.W.
登録日2017-01-12
公開日2018-02-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Fragment-derived inhibitors of human N-myristoyltransferase block capsid assembly and replication of the common cold virus.
Nat Chem, 10, 2018
4GH4
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BU of 4gh4 by Molmil
Crystal Structure of Foot and Mouth Disease Virus A22 Serotype
分子名称: capsid protein VP1, capsid protein VP2, capsid protein VP3, ...
著者Kotecha, A, Jinshan, R, Curry, S, Fry, E, Stuart, D.
登録日2012-08-07
公開日2013-02-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Perturbations in the surface structure of A22 Iraq foot-and-mouth disease virus accompanying coupled changes in host cell specificity and antigenicity.
Structure, 4, 1996
5O6J
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BU of 5o6j by Molmil
Human NMT1 in complex with myristoyl-CoA and inhibitor IMP-1031
分子名称: 1-[5-[3-fluoranyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-1-methyl-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine, Glycylpeptide N-tetradecanoyltransferase 1, MAGNESIUM ION, ...
著者Brannigan, J.A, Wilkinson, A.J.
登録日2017-06-06
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Fragment-derived inhibitors of human N-myristoyltransferase block capsid assembly and replication of the common cold virus.
Nat Chem, 10, 2018
5O6H
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BU of 5o6h by Molmil
Human NMT1 in complex with myristoyl-CoA and 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, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Brannigan, J.A, Wilkinson, A.J.
登録日2017-06-06
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Fragment-derived inhibitors of human N-myristoyltransferase block capsid assembly and replication of the common cold virus.
Nat Chem, 10, 2018
5O48
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BU of 5o48 by Molmil
P.vivax NMT with an aminomethylindazole inhibitor bound
分子名称: 1-[5-(4-fluoranyl-2-methyl-phenyl)-1~{H}-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine, 2-oxopentadecyl-CoA, CHLORIDE ION, ...
著者Brannigan, J.A, Wilkinson, A.J.
登録日2017-05-26
公開日2018-05-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Fragment-derived inhibitors of human N-myristoyltransferase block capsid assembly and replication of the common cold virus.
Nat Chem, 10, 2018
5O4V
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BU of 5o4v by Molmil
P.vivax NMT with aminomethylindazole and quinoline inhibitors bound
分子名称: 1-[5-(4-fluoranyl-2-methyl-phenyl)-1~{H}-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine, 2-oxopentadecyl-CoA, CHLORIDE ION, ...
著者Brannigan, J.A, Wilkinson, A.J.
登録日2017-05-31
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Fragment-derived inhibitors of human N-myristoyltransferase block capsid assembly and replication of the common cold virus.
Nat Chem, 10, 2018
7PSP
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BU of 7psp by Molmil
Crystal structure of S100A4 labeled with NU000846b.
分子名称: (2R,4R)-1-(2-chloranylethanoyl)-N-(3-chlorophenyl)-4-phenyl-pyrrolidine-2-carboxamide, CALCIUM ION, Protein S100-A4
著者Giroud, C, Szommer, T, Coxon, C, Monteiro, O, Christott, T, Bennett, J, Aitmakhanova, K, Raux, B, Newman, J, Elkins, J, Arruda Bezerra, G, Krojer, T, Koekemoer, L, Von Delft, F, Bountr, C, Brennan, P, Fedorov, O.
登録日2021-09-23
公開日2022-10-05
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Crystal structure of S100A4 labeled with NU000846b.
To Be Published
4AD6
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BU of 4ad6 by Molmil
Synthesis and SAR of guanine based analogues for HPPK inhibitors
分子名称: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 7-(2-HYDROXYETHYL)-8-MERCAPTOGUANINE
著者Chhabra, S, Peat, T.S, Swarbrick, J.
登録日2011-12-22
公開日2013-01-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Exploring the Chemical Space Around 8-Mercaptoguanine as a Route to New Inhibitors of the Folate Biosynthesis Enzyme Hppk.
Plos One, 8, 2013
3K39
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BU of 3k39 by Molmil
Crystal Structure of B/Perth Neuraminidase D197E mutant in complex with Peramivir
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID, CALCIUM ION, ...
著者Oakley, A.J, McKimm-Breschkin, J.L.
登録日2009-10-02
公開日2010-09-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Structural and Functional Basis of Resistance to Neuraminidase Inhibitors of Influenza B Viruses.
J.Med.Chem., 2010
3K36
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BU of 3k36 by Molmil
Crystal Structure of B/Perth Neuraminidase
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
著者Oakley, A.J, McKimm-Breschkin, J.L.
登録日2009-10-02
公開日2010-09-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and Functional Basis of Resistance to Neuraminidase Inhibitors of Influenza B Viruses.
J.Med.Chem., 2010
3K37
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BU of 3k37 by Molmil
Crystal Structure of B/Perth Neuraminidase in complex with Peramivir
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID, CALCIUM ION, ...
著者Oakley, A.J, McKimm-Breschkin, J.L.
登録日2009-10-02
公開日2010-09-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and Functional Basis of Resistance to Neuraminidase Inhibitors of Influenza B Viruses.
J.Med.Chem., 2010
3K38
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BU of 3k38 by Molmil
Crystal Structure of B/Perth Neuraminidase D197E mutant
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neuraminidase, ...
著者Oakley, A.J, McKimm-Breschkin, J.L.
登録日2009-10-02
公開日2010-09-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Structural and Functional Basis of Resistance to Neuraminidase Inhibitors of Influenza B Viruses.
J.Med.Chem., 2010
3K3A
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BU of 3k3a by Molmil
Crystal Structure of B/Perth Neuraminidase D197E mutant in complex with Oseltamivir
分子名称: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Oakley, A.J, McKimm-Breschkin, J.L.
登録日2009-10-02
公開日2010-09-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Structural and Functional Basis of Resistance to Neuraminidase Inhibitors of Influenza B Viruses.
J.Med.Chem., 2010
5NNG
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BU of 5nng by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with an acetylated SRPK1 peptide (K585ac)
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, VAG(ALY)YS(ALY)EFFY
著者Filippakopoulos, P, Picaud, S, Newman, J, Sorrell, F, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Structural Genomics Consortium (SGC)
登録日2017-04-08
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains.
Mol. Cell, 73, 2019
1QGC
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BU of 1qgc by Molmil
STRUCTURE OF THE COMPLEX OF A FAB FRAGMENT OF A NEUTRALIZING ANTIBODY WITH FOOT AND MOUTH DISEASE VIRUS
分子名称: PROTEIN (GH-LOOP FROM VIRUS CAPSID PROTEIN VP1), PROTEIN (IMMUNOGLOBULIN HEAVY CHAIN), PROTEIN (IMMUNOGLOBULIN LIGHT CHAIN), ...
著者Fita, I.
登録日1999-04-23
公開日2000-01-26
最終更新日2023-12-27
実験手法ELECTRON MICROSCOPY (30 Å)
主引用文献Structure of the complex of an Fab fragment of a neutralizing antibody with foot-and-mouth disease virus: positioning of a highly mobile antigenic loop.
EMBO J., 16, 1997
3ALA
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BU of 3ala by Molmil
Crystal structure of vascular adhesion protein-1 in space group C2
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Ernberg, K.E, McGrath, A.P, Guss, J.M.
登録日2010-07-29
公開日2010-12-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A new crystal form of human vascular adhesion protein 1
Acta Crystallogr.,Sect.F, 66, 2010
3AAZ
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BU of 3aaz by Molmil
Crystal structure of the humanized recombinant Fab fragment of a murine; antibody
分子名称: Humanized recombinant Fab fragment of a murine; antibody
著者Streltsov, V.A.
登録日2009-11-28
公開日2010-03-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Germline humanization of a murine Abeta antibody and crystal structure of the humanized recombinant Fab fragment.
Protein Sci., 19, 2010
5HWE
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BU of 5hwe by Molmil
high resolution structure of barbiturase
分子名称: (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, Barbiturase, MAGNESIUM ION, ...
著者Peat, T.S, Scott, C.
登録日2016-01-29
公開日2017-02-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献High-Resolution X-Ray Structures of Two Functionally Distinct Members of the Cyclic Amide Hydrolase Family of Toblerone Fold Enzymes.
Appl. Environ. Microbiol., 83, 2017

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