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5DZC
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Crystal structure of the cGMP-dependent protein kinase PKG from Plasmodium Vivax - AMPPNP bound
分子名称: CHLORIDE ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SODIUM ION, ...
著者Walker, J.R, El Bakkouri, M, Loppnau, P, Graslund, S, He, H, Seitova, A, Hutchinson, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, Amani, M, Structural Genomics Consortium (SGC)
登録日2015-09-25
公開日2015-10-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structures of the cGMP-dependent protein kinase in malaria parasites reveal a unique structural relay mechanism for activation.
Proc.Natl.Acad.Sci.USA, 116, 2019
1Z76
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BU of 1z76 by Molmil
Crystal structure of an acidic phospholipase A2 (BthA-I) from Bothrops jararacussu venom complexed with p-bromophenacyl bromide
分子名称: p-Bromophenacyl bromide, phospholipase A2
著者Magro, A.J, Takeda, A.A, Soares, A.M, Fontes, M.R.
登録日2005-03-24
公開日2006-03-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure of BthA-I complexed with p-bromophenacyl bromide: possible correlations with lack of pharmacological activity.
Acta Crystallogr.,Sect.D, 61, 2005
5DWK
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BU of 5dwk by Molmil
Diacylglycerol Kinase solved by multi crystal multi orientation native SAD
分子名称: (2R)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, ACETATE ION, ...
著者Weinert, T, Olieric, V, Finke, A.D, Li, D, Caffrey, M, Wang, M.
登録日2015-09-22
公開日2016-03-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.601 Å)
主引用文献Data-collection strategy for challenging native SAD phasing.
Acta Crystallogr D Struct Biol, 72, 2016
5DZO
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BU of 5dzo by Molmil
Crystal structure of human T-cell immunoglobulin and mucin domain protein 1
分子名称: Hepatitis A virus cellular receptor 1, NITRATE ION, SODIUM ION
著者Yuan, S, Rao, Z, Wang, X.
登録日2015-09-25
公開日2015-11-25
最終更新日2016-02-10
実験手法X-RAY DIFFRACTION (1.301 Å)
主引用文献TIM-1 acts a dual-attachment receptor for Ebolavirus by interacting directly with viral GP and the PS on the viral envelope.
Protein Cell, 6, 2015
2D16
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BU of 2d16 by Molmil
Crystal Structure of PH1918 protein from Pyrococcus horikoshii OT3
分子名称: GLYCEROL, SODIUM ION, hypothetical protein PH1918
著者Lokanath, N.K, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2005-08-14
公開日2006-10-31
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal Structure of PH1918 protein from Pyrococcus horikoshii OT3
To be Published
1PH6
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BU of 1ph6 by Molmil
Crystal Structure of THE OXYTRICHA NOVA TELOMERE END-BINDING PROTEIN COMPLEXED WITH NONCOGNATE SSDNA GGGGTTTTGTGG
分子名称: 5'-D(*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*GP*T)-3', 5'-D(*GP*GP*GP*GP*TP*TP*TP*TP*GP*TP*GP*G)-3', SODIUM ION, ...
著者Theobald, D.L, Schultz, S.C.
登録日2003-05-29
公開日2003-06-17
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Nucleotide Shuffling and ssDNA Recognition in Oxytricha Nova Telomere End-Binding Protein Complexes
Embo J., 22, 2003
7OCB
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BU of 7ocb by Molmil
Crystal structure of Spindlin1 in complex with the inhibitor XY49-92B
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 7-[3-(1,3-dihydroisoindol-2-yl)propoxy]-2N-[2-(dimethylamino)ethyl]-6-methoxy-4N-(1-propan-2-ylpiperidin-4-yl)quinazoline-2,4-diamine, CHLORIDE ION, ...
著者Johansson, C, Krojer, T, Park, K, Xiong, Y, Jin, J, Oppermann, U.
登録日2021-04-26
公開日2022-05-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Crystal structure of Spindlin1 in complex with the inhibitor XY49-92B
To Be Published
7ODI
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BU of 7odi by Molmil
Crystal structure of bovine Hsc70(aa1-554)E213A/D214A in complex with methanesulfonamide
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, Heat shock cognate 71 kDa protein, ...
著者Zehe, M, Grimm, C, Sotriffer, C.
登録日2021-04-29
公開日2022-06-01
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Combined In-Solution Fragment Screening and Crystallographic Binding-Mode Analysis with a Two-Domain Hsp70 Construct.
Acs Chem.Biol., 2024
7O23
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BU of 7o23 by Molmil
C-terminal head domain of the trimeric autotransporter adhesin BpaC from Burkholderia pseudomallei fused to a GCN4 anchor
分子名称: Autotransporter adhesin BpaC,Autotransporter adhesin BpaC,General control transcription factor GCN4, GLYCEROL, SODIUM ION
著者Kiessling, A.R, Goldman, A.
登録日2021-03-30
公開日2022-06-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The C-terminal head domain of Burkholderia pseudomallei BpaC has a striking hydrophilic core with an extensive solvent network.
Mol.Microbiol., 118, 2022
7ORX
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BU of 7orx by Molmil
Rhodococcus jostii RHA1 thiamine diphosphate-dependent 4-hydroxybenzoylformate decarboxylase
分子名称: Probable benzoylformate decarboxylase, SODIUM ION, THIAMINE DIPHOSPHATE
著者Wilkinson, R.C, Fulop, V.
登録日2021-06-06
公開日2021-06-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Characterization of Thiamine Diphosphate-Dependent 4-Hydroxybenzoylformate Decarboxylase Enzymes from
Biochemistry, 58, 2019
7OIS
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BU of 7ois by Molmil
mPI3Kd in complex with compound 7
分子名称: N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(3-methylsulfonylphenyl)sulfamoyl]-1-oxidanylidene-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, SODIUM ION
著者Petersen, J.
登録日2021-05-12
公開日2021-07-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of AZD8154, a Dual PI3K gamma delta Inhibitor for the Treatment of Asthma.
J.Med.Chem., 64, 2021
7P18
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BU of 7p18 by Molmil
Crystal structure of 3-ketosteroid delta1-dehydrogenase from Sterolibacterium denitrificans in complex with 1,4-androstadiene-3,17-dione
分子名称: 3-oxosteroid 1-dehydrogenase, ANDROSTA-1,4-DIENE-3,17-DIONE, DI(HYDROXYETHYL)ETHER, ...
著者Wojcik, P, Mrugala, B, Kurpiewska, K, Szaleniec, M.
登録日2021-07-01
公開日2021-07-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Structure, Mutagenesis, and QM:MM Modeling of 3-Ketosteroid Delta 1 -Dehydrogenase from Sterolibacterium denitrificans ─The Role of a New Putative Membrane-Associated Domain and Proton-Relay System in Catalysis.
Biochemistry, 62, 2023
7P2H
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BU of 7p2h by Molmil
Dimethylated fusion protein of RSL and mussel adhesion peptide (Mefp) in complex with cucurbit[7]uril, H3 sheet assembly
分子名称: Fucose-binding lectin protein, GLYCEROL, SODIUM ION, ...
著者Ramberg, K, Engilberge, S, Crowley, P.B.
登録日2021-07-06
公開日2021-09-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Segregated Protein-Cucurbit[7]uril Crystalline Architectures via Modulatory Peptide Tectons.
Chemistry, 27, 2021
7P2J
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BU of 7p2j by Molmil
Dimethylated fusion protein of RSL and trimeric coiled coil (4dzn) in complex with cucurbit[7]uril, H3 sheet assembly
分子名称: Fucose-binding lectin protein, SODIUM ION, beta-D-mannopyranose, ...
著者Ramberg, K, Engilberge, S, Crowley, P.B.
登録日2021-07-06
公開日2021-09-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Segregated Protein-Cucurbit[7]uril Crystalline Architectures via Modulatory Peptide Tectons.
Chemistry, 27, 2021
7OKW
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BU of 7okw by Molmil
1.62A X-ray crystal structure of the conserved C-terminal (CCT) of human OSR1
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, MAGNESIUM ION, ...
著者Bax, B.D, Elvers, K.T, Lipka-Lloyd, M, Mehellou, Y.
登録日2021-05-18
公開日2021-09-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Structures of the Human SPAK and OSR1 Conserved C-Terminal (CCT) Domains.
Chembiochem, 23, 2022
7P51
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BU of 7p51 by Molmil
CRYSTAL STRUCTURE OF THE SARS-COV-2 MAIN PROTEASE COMPLEXED WITH FRAGMENT F01
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, N-(5-chloropyridin-2-yl)-3-oxo-2,3-dihydro-1H-indene-1-carboxamide, ...
著者Hanoulle, X, Moschidi, D.
登録日2021-07-13
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.474 Å)
主引用文献NMR Spectroscopy of the Main Protease of SARS-CoV-2 and Fragment-Based Screening Identify Three Protein Hotspots and an Antiviral Fragment.
Angew.Chem.Int.Ed.Engl., 60, 2021
7OKC
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BU of 7okc by Molmil
Crystal structure of Escherichia coli LpxA in complex with compound 1
分子名称: 2-[2-(2-chlorophenyl)sulfanylethanoyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-N-methyl-ethanamide, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, SODIUM ION
著者Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M.
登録日2021-05-17
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa .
J.Med.Chem., 64, 2021
7P1S
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BU of 7p1s by Molmil
Structure of KDNase from Trichophyton Rubrum in complex with 2,3-didehydro-2,3-dideoxy-D-glycero-D-galacto-nonulosonic acid.
分子名称: 2,6-anhydro-3-deoxy-D-glycero-D-galacto-non-2-enonic acid, Extracellular sialidase/neuraminidase, SODIUM ION
著者Gloster, T.M, McMahon, S.A.
登録日2021-07-02
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Kinetic and Structural Characterization of Sialidases (Kdnases) from Ascomycete Fungal Pathogens.
Acs Chem.Biol., 16, 2021
7P1R
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BU of 7p1r by Molmil
Structure of Trichophyton Rubrum KDNase in complex with 2,3-difluoro-KDN
分子名称: 3-deoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid, Extracellular sialidase/neuraminidase, PHOSPHATE ION, ...
著者Gloster, T.M, McMahon, S.A.
登録日2021-07-02
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Kinetic and Structural Characterization of Sialidases (Kdnases) from Ascomycete Fungal Pathogens.
Acs Chem.Biol., 16, 2021
7P8Z
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BU of 7p8z by Molmil
Short wilavidin biotin complex
分子名称: 1,2-ETHANEDIOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, BIOTIN, ...
著者Avraham, O, Livnah, O.
登録日2021-07-23
公開日2021-11-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Wilavidin - a novel member of the avidin family that forms unique biotin-binding hexamers.
Febs J., 289, 2022
7OV3
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BU of 7ov3 by Molmil
Crystal structure of pig purple acid phosphatase in complex with Maybridge fragment CC063346, dimethyl sulfoxide and citrate
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Feder, D, McGeary, R.P, Guddat, L.W, Schenk, G.
登録日2021-06-14
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Rational Design of Potent Inhibitors of a Metallohydrolase Using a Fragment-Based Approach.
Chemmedchem, 16, 2021
7P0D
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URATE OXIDASE WITH 8-AZAXANTHINE UNDER 310 MPA PRESSURE
分子名称: 8-AZAXANTHINE, SODIUM ION, Uricase
著者Colloc'h, N, Prange, T, Girard, E.
登録日2021-06-29
公開日2022-02-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Comparative study of the effects of high hydrostatic pressure per se and high argon pressure on urate oxidase ligand stabilization
Acta Cryst. D, 78, 2022
7OIY
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BU of 7oiy by Molmil
Crystal structure of the ZUFSP family member Mug105
分子名称: SODIUM ION, Ubiquitin carboxyl-terminal hydrolase mug105
著者Pichlo, C, Hermanns, T, Hofmann, K, Baumann, U.
登録日2021-05-12
公開日2022-02-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献A structural basis for the diverse linkage specificities within the ZUFSP deubiquitinase family.
Nat Commun, 13, 2022
7P0G
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BU of 7p0g by Molmil
URATE OXIDASE WITH 8-AZAXANTHINE UNDER AMBIENT PRESSURE
分子名称: 8-AZAXANTHINE, SODIUM ION, Uricase
著者Colloc'h, N, Prange, T, Girard, E.
登録日2021-06-29
公開日2022-02-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Comparative study of the effects of high hydrostatic pressure per se and high argon pressure on urate oxidase ligand stabilization
Acta Cryst. D, 78, 2022
7OJE
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Crystal structure of the covalent complex between Tribolium castaneum deubiquitinase ZUP and Ubiquitin-PA
分子名称: 1,2-ETHANEDIOL, CITRIC ACID, Lys-63-specific deubiquitinase ZUFSP, ...
著者Pichlo, C, Hermanns, T, Hofmann, K, Baumann, U.
登録日2021-05-14
公開日2022-02-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献A structural basis for the diverse linkage specificities within the ZUFSP deubiquitinase family.
Nat Commun, 13, 2022

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