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5CIF
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BU of 5cif by Molmil
Complex of yeast cytochrome c peroxidase (W191F) with iso-1 cytochrome c
分子名称: Cytochrome c iso-1, Cytochrome c peroxidase, mitochondrial, ...
著者Crane, B.R, Payne, T.M.
登録日2015-07-12
公開日2016-08-03
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Constraints on the Radical Cation Center of Cytochrome c Peroxidase for Electron Transfer from Cytochrome c.
Biochemistry, 55, 2016
7K62
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BU of 7k62 by Molmil
Crystal Structure of Dihydrofolate reductase from Mycobacterium kansasii in complex with NADP and inhibitor P218
分子名称: 1,2-ETHANEDIOL, 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid, Dihydrofolate reductase, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2020-09-18
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal Structure of Dihydrofolate reductase from Mycobacterium kansasii in complex with NADP and inhibitor P218
To Be Published
5LA7
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BU of 5la7 by Molmil
Crystal structure of human proheparanase, in complex with glucuronic acid configured aziridine probe JJB355
分子名称: (1~{S},2~{R},3~{S},4~{S},5~{S},6~{R})-2-(8-azidooctylamino)-3,4,5,6-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wu, L, Jin, Y, Davies, G.J.
登録日2016-06-13
公開日2017-05-31
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Activity-based probes for functional interrogation of retaining beta-glucuronidases.
Nat. Chem. Biol., 13, 2017
7K69
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BU of 7k69 by Molmil
Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor SDDC-0001574
分子名称: 1-{2-[2-(2,4-diamino-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethoxy]phenyl}piperidine-4-carboxylic acid, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2020-09-19
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor SDDC-0001574
To Be Published
4FCU
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BU of 4fcu by Molmil
1.9 Angstrom Crystal Structure of 3-deoxy-manno-octulosonate Cytidylyltransferase (kdsB) from Acinetobacter baumannii without His-Tag Bound to the Active Site
分子名称: 3-deoxy-manno-octulosonate cytidylyltransferase
著者Minasov, G, Halavaty, A, Shuvalova, L, Dubrovska, I, Winsor, J, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-05-25
公開日2012-06-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献1.9 Angstrom Crystal Structure of 3-deoxy-manno-octulosonate Cytidylyltransferase (kdsB) from Acinetobacter baumannii without His-Tag Bound to the Active Site.
TO BE PUBLISHED
6IBT
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BU of 6ibt by Molmil
Crystal structure of human alpha-galactosidase A in complex with alpha-galactose configured cyclophellitol aziridine ME737
分子名称: (1~{S},2~{S},3~{S},4~{S},5~{R},6~{S})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Rowland, R.J, Wu, L, Davies, G.J.
登録日2018-11-30
公開日2019-10-09
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Alpha-d-Gal-cyclophellitol cyclosulfamidate is a Michaelis complex analog that stabilizes therapeutic lysosomal alpha-galactosidase A in Fabry disease
Chem Sci, 2019
4N0Z
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BU of 4n0z by Molmil
Crystal structure of cisplatin bound to a plasmodium falciparum glutaredoxin 1 (PfGrx1)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Cisplatin, ...
著者Yogavel, M, Sharma, A.
登録日2013-10-03
公開日2014-10-08
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Interaction of Cisplatin with plasmodium falciparum Glutaredoxin 1
To be Published
7NWV
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BU of 7nwv by Molmil
Structure of recombinant human beta-glucocerebrosidase in complex with BODIPY Tagged Cyclophellitol activity based probe
分子名称: (1~{S},2~{R},3~{R},4~{S},5~{S})-4-[[4-[4-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-8-yl]butyl]-1,2,3-triazol-1-yl]methyl]cyclohexane-1,2,3,5-tetrol, 1,2-ETHANEDIOL, 1-deoxy-alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Rowland, R.J, Davies, G.J.
登録日2021-03-17
公開日2022-03-30
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Fluorescence polarisation activity-based protein profiling for the identification of deoxynojirimycin-type inhibitors selective for lysosomal retaining alpha- and beta-glucosidases.
Chem Sci, 14, 2023
5AZW
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BU of 5azw by Molmil
Crystal structure of p24beta1 GOLD domain
分子名称: 1,2-ETHANEDIOL, Transmembrane emp24 domain-containing protein 2
著者Nagae, M, Yamaguchi, Y.
登録日2015-10-23
公開日2016-09-14
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献3D Structure and Interaction of p24 beta and p24 delta Golgi Dynamics Domains: Implication for p24 Complex Formation and Cargo Transport
J.Mol.Biol., 428, 2016
4B4U
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BU of 4b4u by Molmil
Crystal structure of Acinetobacter baumannii N5, N10- methylenetetrahydrofolate dehydrogenase-cyclohydrolase (FolD) complexed with NADP cofactor
分子名称: 1,2-ETHANEDIOL, BIFUNCTIONAL PROTEIN FOLD, CHLORIDE ION, ...
著者Eadsforth, T.C, Maluf, F.V, Hunter, W.N.
登録日2012-08-01
公開日2012-08-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Acinetobacter Baumannii Fold Ligand Complexes; Potent Inhibitors of Folate Metabolism and a Re-Evaluation of the Ly374571 Structure.
FEBS J., 279, 2012
5EJA
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BU of 5eja by Molmil
EcMenD-ThDP-Mn2+ complex soaked with 2-ketoglutarate for 2 min and soaked with isochorismate for 7 min
分子名称: (4S)-4-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3lambda~5~-thiazol-2-yl}-4-hydroxybutanoic acid, 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase, GLYCEROL, ...
著者Song, H.G, Dong, C, Chen, Y.Z, Sun, Y.R, Guo, Z.H.
登録日2015-11-01
公開日2016-06-01
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A Thiamine-Dependent Enzyme Utilizes an Active Tetrahedral Intermediate in Vitamin K Biosynthesis
J.Am.Chem.Soc., 138, 2016
7KI8
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BU of 7ki8 by Molmil
Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor SDDC-0001580
分子名称: 1-[2-({3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propyl}amino)phenyl]piperidine-4-carboxylic acid, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2020-10-23
公開日2021-07-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor SDDC-0001580
to be published
3DMO
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BU of 3dmo by Molmil
1.6 A crystal structure of cytidine deaminase from Burkholderia pseudomallei
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, Cytidine deaminase, PHOSPHATE ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2008-07-01
公開日2008-07-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献1.6 A crystal structure of cytidine deaminase from Burkholderia pseudomallei
To be Published
7KI9
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BU of 7ki9 by Molmil
Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor SDDC-0001912
分子名称: 1-[2-(3-{[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]methyl}azetidin-1-yl)phenyl]piperidine-4-carboxylic acid, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2020-10-23
公開日2021-07-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor SDDC-0001912
to be published
5KY6
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BU of 5ky6 by Molmil
Human muscle fructose-1,6-bisphosphate aldolase
分子名称: Fructose-bisphosphate aldolase A
著者Wisniewski, J, Barciszewski, J, Jaskolski, M, Rakus, D.
登録日2016-07-21
公開日2017-06-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.941 Å)
主引用文献Crystal structure of human muscle aldolase
To Be Published
5B5Q
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BU of 5b5q by Molmil
1.7 Angstroms structure of ChlaDub1 from Chlamydia Trachomatis
分子名称: CHLORIDE ION, Membrane thiol protease
著者Ramirez, Y.A, Kisker, C, Sauer, F.
登録日2016-05-13
公開日2017-03-29
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Chlamydia trachomatis-containing vacuole serves as deubiquitination platform to stabilize Mcl-1 and to interfere with host defense
Elife, 6, 2017
7ZN6
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BU of 7zn6 by Molmil
Crystal structure of laccase-like multicopper oxidase (LMCO) from Thermothelomyces thermophilus
分子名称: 1,2-ETHANEDIOL, 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Kosinas, C, Dimarogona, M, Zerva, A, Topakas, E.
登録日2022-04-20
公開日2023-06-28
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-function studies of a novel laccase-like multicopper oxidase from Thermothelomyces thermophila provide insights into its biological role.
Acta Crystallogr D Struct Biol, 79, 2023
4MY1
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BU of 4my1 by Molmil
Crystal Structure of the Inosine 5'-monophosphate Dehydrogenase, with a Internal Deletion of CBS Domain from Bacillus anthracis str. Ames complexed with P68
分子名称: 1-(4-bromophenyl)-3-(2-{3-[(1E)-N-hydroxyethanimidoyl]phenyl}propan-2-yl)urea, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase
著者Kim, Y, Makowska-Grzyska, M, Gu, M, Gorla, S.K, Hedstrom, L, Anderson, W.F, Joachimiak, A, CSGID, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2013-09-26
公開日2014-01-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5997 Å)
主引用文献Crystal Structure of the Inosine 5'-monophosphate Dehydrogenase, with a Internal Deletion of CBS Domain from Bacillus anthracis str. Ames complexed with P68
To be Published
6K24
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BU of 6k24 by Molmil
Structure of the Rhodium Mesoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan
分子名称: (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, ...
著者Stanfield, J.K, Matsumoto, A, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O.
登録日2019-05-13
公開日2020-03-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain.
Angew.Chem.Int.Ed.Engl., 59, 2020
6JZS
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BU of 6jzs by Molmil
Structure of the Manganese Protoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan in complex with Pyridine
分子名称: (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, ...
著者Stanfield, J.K, Omura, K, Matsumoto, A, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O.
登録日2019-05-03
公開日2020-03-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain.
Angew.Chem.Int.Ed.Engl., 59, 2020
2AP3
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BU of 2ap3 by Molmil
1.6 A Crystal Structure of a Conserved Protein of Unknown Function from Staphylococcus aureus
分子名称: conserved hypothetical protein
著者Zhang, R, Zhou, M, Joachimiak, G, Schneewind, O, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2005-08-15
公開日2005-09-27
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献1.6A crystal structure of a conserved hypothetical protein from Staphylococcus aureus MW2
To be Published
5VD3
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BU of 5vd3 by Molmil
CRYSTAL STRUCTURE OF HUMAN MYT1 KINASE DOMAIN (de-phosphorylated) IN COMPLEX WITH SARACATINIB
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase, ...
著者Zhu, J.-Y, Schonbrunn, E.
登録日2017-04-01
公開日2017-08-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Basis of Wee Kinases Functionality and Inactivation by Diverse Small Molecule Inhibitors.
J. Med. Chem., 60, 2017
6D7F
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BU of 6d7f by Molmil
Bacteroides uniformis beta-glucuronidase 1 bound to thiophenyl-beta-D-glucuronide
分子名称: Beta-galactosidase/beta-glucuronidase, CHLORIDE ION, GLYCEROL, ...
著者Walton, W.G, Pellock, S.J, Redinbo, M.R.
登録日2018-04-24
公開日2018-10-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Three structurally and functionally distinct beta-glucuronidases from the human gut microbeBacteroides uniformis.
J. Biol. Chem., 293, 2018
5ZDZ
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BU of 5zdz by Molmil
Hairpin Forming Complex, RAG1/2-Nicked 12RSS/23RSS complex in Ca2+
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, DNA (30-MER), ...
著者Kim, M.S, Chuenchor, W, Chen, X, Gellert, M, Yang, W.
登録日2018-02-25
公開日2018-04-25
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Cracking the DNA Code for V(D)J Recombination
Mol. Cell, 70, 2018
1CAD
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BU of 1cad by Molmil
X-RAY CRYSTAL STRUCTURES OF THE OXIDIZED AND REDUCED FORMS OF THE RUBREDOXIN FROM THE MARINE HYPERTHERMOPHILIC ARCHAEBACTERIUM PYROCOCCUS FURIOSUS
分子名称: FE (III) ION, RUBREDOXIN
著者Day, M.W, Hsu, B.T, Joshua-Tor, L, Park, J.B, Zhou, Z.H, Adams, M.W.W, Rees, D.C.
登録日1992-05-18
公開日1993-10-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献X-ray crystal structures of the oxidized and reduced forms of the rubredoxin from the marine hyperthermophilic archaebacterium Pyrococcus furiosus.
Protein Sci., 1, 1992

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