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7U0U
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Crystal Structure of a Aspergillus fumigatus Calcineurin A - Calcineurin B fusion bound to FKBP12 and FK-506
分子名称: 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, CALCIUM ION, PHOSPHATE ION, ...
著者Fox III, D, Abendroth, J, DeBouver, N.D, Hoy, M.J, Heitman, J, Lorimer, D.D, Horanyi, P.S, Edwards, T.E, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2022-02-18
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-Guided Synthesis of FK506 and FK520 Analogs with Increased Selectivity Exhibit In Vivo Therapeutic Efficacy against Cryptococcus.
Mbio, 13, 2022
7A56
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Schmallenberg Virus Envelope Glycoprotein Gc Fusion Domains in Postfusion Conformation
分子名称: CHLORIDE ION, Envelopment polyprotein, PHOSPHATE ION, ...
著者Hellert, J, Guardado-Calvo, P, Rey, F.A.
登録日2020-08-20
公開日2021-09-01
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure, function, and evolution of the Orthobunyavirus membrane fusion glycoprotein.
Cell Rep, 42, 2023
8CMX
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BU of 8cmx by Molmil
Structure of sphingosine-1-phosphate lyase (SPL) from Aspergillus fumigatus
分子名称: Sphinganine-1-phosphate aldolase BST1, putative
著者Catalano, F, Pampalone, G.
登録日2023-02-21
公開日2024-01-03
実験手法X-RAY DIFFRACTION (3.46 Å)
主引用文献Dual species sphingosine-1-phosphate lyase inhibitors to combine antifungal and anti-inflammatory activities in cystic fibrosis: a feasibility study.
Sci Rep, 13, 2023
6PXO
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BU of 6pxo by Molmil
Human Casein Kinase 1 delta (anion-free crystallization conditions)
分子名称: Casein kinase I isoform delta
著者Freeberg, A, Philpott, J.M, Tripathi, S.M, Partch, C.L.
登録日2019-07-26
公開日2020-02-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Casein kinase 1 dynamics underlie substrate selectivity and the PER2 circadian phosphoswitch.
Elife, 9, 2020
3V2B
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BU of 3v2b by Molmil
Human poly(adp-ribose) polymerase 15 (ARTD7, BAL3), macro domain 2 in complex with adenosine-5-diphosphoribose
分子名称: Poly [ADP-ribose] polymerase 15, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
著者Karlberg, T, Moche, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kallas, A, Kotenyova, T, Kotzcsh, A, Kraulis, P, Nielsen, T.K, Nordlund, P, Nyman, T, Persson, C, Roos, A.K, Schutz, P, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van den berg, S, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC)
登録日2011-12-12
公開日2011-12-21
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Recognition of Mono-ADP-Ribosylated ARTD10 Substrates by ARTD8 Macrodomains.
Structure, 21, 2013
1EGN
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BU of 1egn by Molmil
CELLOBIOHYDROLASE CEL7A (E223S, A224H, L225V, T226A, D262G) MUTANT
分子名称: 1,4-BETA-D-GLUCAN CELLOBIOHYDROLASE CEL7A, 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT (II) ION
著者Stahlberg, J, Harris, M, Jones, T.A.
登録日2000-02-16
公開日2001-05-16
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Engineering of a glycosidase Family 7 cellobiohydrolase to more alkaline pH optimum: the pH behaviour of Trichoderma reesei Cel7A and its E223S/ A224H/L225V/T226A/D262G mutant.
Biochem.J., 356, 2001
6GGA
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p53 cancer mutant Y220C in complex with small-molecule stabilizer PK9284
分子名称: (7-bromanyl-9-ethyl-carbazol-3-yl)methyl-methyl-azanium, Cellular tumor antigen p53, ZINC ION
著者Joerger, A.C, Bauer, M.R.
登録日2018-05-03
公開日2019-05-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.55000126 Å)
主引用文献A structure-guided molecular chaperone approach for restoring the transcriptional activity of the p53 cancer mutant Y220C.
Future Med Chem, 11, 2019
6GGE
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BU of 6gge by Molmil
p53 cancer mutant Y220C in complex with small-molecule stabilizer PK9327
分子名称: Cellular tumor antigen p53, ZINC ION, [9-ethyl-7-(5-methylthiophen-2-yl)carbazol-3-yl]methyl-methyl-azanium
著者Joerger, A.C, Bauer, M.R.
登録日2018-05-03
公開日2019-05-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.25000513 Å)
主引用文献A structure-guided molecular chaperone approach for restoring the transcriptional activity of the p53 cancer mutant Y220C.
Future Med Chem, 11, 2019
6GGC
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p53 cancer mutant Y220C in complex with small-molecule stabilizer PK9320
分子名称: 1,2-ETHANEDIOL, Cellular tumor antigen p53, GLYCEROL, ...
著者Joerger, A.C.
登録日2018-05-03
公開日2019-05-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献A structure-guided molecular chaperone approach for restoring the transcriptional activity of the p53 cancer mutant Y220C.
Future Med Chem, 11, 2019
6TDH
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BU of 6tdh by Molmil
Crystal structure of Aspergillus fumigatus Glucosamine-6-phosphate N-acetyltransferase 1 in complex with compound 1
分子名称: 3-(2-chlorophenyl)-4~{H}-1,2,4-triazole, ACETYL COENZYME *A, Glucosamine 6-phosphate N-acetyltransferase
著者Raimi, O.G, Stanley, M, Lockhart, D.
登録日2019-11-08
公開日2020-04-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Targeting a critical step in fungal hexosamine biosynthesis.
J.Biol.Chem., 295, 2020
6GGF
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BU of 6ggf by Molmil
Structure of the p53 cancer mutant Y220C in complex with small-molecule stabilizer PK9328
分子名称: Cellular tumor antigen p53, GLYCEROL, ZINC ION, ...
著者Joerger, A.C, Bauer, M.R.
登録日2018-05-03
公開日2019-05-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.32000017 Å)
主引用文献A structure-guided molecular chaperone approach for restoring the transcriptional activity of the p53 cancer mutant Y220C.
Future Med Chem, 11, 2019
6Y0P
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BU of 6y0p by Molmil
isopenicillin N synthase in complex with IPN and Fe using FT-SSX methods
分子名称: FE (III) ION, ISOPENICILLIN N, Isopenicillin N synthase, ...
著者Rabe, P, Beale, J.H, Lang, P.A, Dirr, A.S, Leissing, T.M, Butryn, A, Aller, P, Kamps, J.J.A.G, Axford, D, McDonough, M.A, Orville, A.M, Owen, R, Schofield, C.J.
登録日2020-02-10
公開日2021-02-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021
6RS6
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BU of 6rs6 by Molmil
X-ray crystal structure of LsAA9B
分子名称: AA9, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Frandsen, K.E.H, Tovborg, M, Poulsen, J.C.N, Johansen, K.S, Lo Leggio, L.
登録日2019-05-21
公開日2019-09-11
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Insights into an unusual Auxiliary Activity 9 family member lacking the histidine brace motif of lytic polysaccharide monooxygenases.
J.Biol.Chem., 294, 2019
6RS7
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BU of 6rs7 by Molmil
X-ray crystal structure of LsAA9B (deglycosylated form)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, AA9, ...
著者Frandsen, K.E.H, Tovborg, M, Poulsen, J.C.N, Johansen, K.S, Lo Leggio, L.
登録日2019-05-21
公開日2019-09-11
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Insights into an unusual Auxiliary Activity 9 family member lacking the histidine brace motif of lytic polysaccharide monooxygenases.
J.Biol.Chem., 294, 2019
6RS8
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X-ray crystal structure of LsAA9B (transition metals soak)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Frandsen, K.E.H, Tovborg, M, Poulsen, J.C.N, Johansen, K.S, Lo Leggio, L.
登録日2019-05-21
公開日2019-09-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Insights into an unusual Auxiliary Activity 9 family member lacking the histidine brace motif of lytic polysaccharide monooxygenases.
J.Biol.Chem., 294, 2019
6IC4
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BU of 6ic4 by Molmil
Cryo-EM structure of the A. baumannii MLA complex at 8.7 A resolution
分子名称: ABC transporter ATP-binding protein, ABC transporter permease, Toluene tolerance efflux transporter (ABC superfamily, ...
著者Bergeron, J.R, Kollman, J.M.
登録日2018-12-02
公開日2019-01-23
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (8.7 Å)
主引用文献The Acinetobacter baumannii Mla system and glycerophospholipid transport to the outer membrane.
Elife, 8, 2019
1H4P
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BU of 1h4p by Molmil
Crystal structure of exo-1,3-beta glucanse from Saccharomyces cerevisiae
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLUCAN 1,3-BETA-GLUCOSIDASE I/II, GLYCEROL, ...
著者Ferguson, A.D.
登録日2001-05-11
公開日2003-10-02
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The Er Protein Folding Sensor Udp-Glucose Glycoprotein:Glucosyltransferase Modifies Substrates Distant to Local Changes in Glycoprotein Conformation.
Nat.Struct.Mol.Biol., 11, 2004
6ZPW
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Structure of Unliganded MgGH51 a-L-Arabinofuranosidase Crystal Type 2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CHLORIDE ION, ...
著者McGregor, N.G.S, Davies, G.J.
登録日2020-07-09
公開日2020-11-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.329 Å)
主引用文献Structure of a GH51 alpha-L-arabinofuranosidase from Meripilus giganteus: conserved substrate recognition from bacteria to fungi.
Acta Crystallogr D Struct Biol, 76, 2020
6ZPZ
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Structure of a-l-AraCS-Bound MgGH51 a-L-Arabinofuranosidase Crystal Type 1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, MgGH51, ...
著者McGregor, N.G.S, Davies, G.J.
登録日2020-07-09
公開日2020-11-11
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Structure of a GH51 alpha-L-arabinofuranosidase from Meripilus giganteus: conserved substrate recognition from bacteria to fungi.
Acta Crystallogr D Struct Biol, 76, 2020
6ZPS
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Structure of Unliganded MgGH51 a-L-Arabinofuranosidase Crystal Type 3 Collected at 2.75 A
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CHLORIDE ION, ...
著者McGregor, N.G.S, Davies, G.J.
登録日2020-07-09
公開日2020-11-11
最終更新日2020-11-18
実験手法X-RAY DIFFRACTION (1.795 Å)
主引用文献Structure of a GH51 alpha-L-arabinofuranosidase from Meripilus giganteus: conserved substrate recognition from bacteria to fungi.
Acta Crystallogr D Struct Biol, 76, 2020
6ZPX
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BU of 6zpx by Molmil
Structure of Unliganded MgGH51 a-L-Arabinofuranosidase Crystal Type 1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, MgGH51, ...
著者McGregor, N.G.S, Davies, G.J.
登録日2020-07-09
公開日2020-11-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structure of a GH51 alpha-L-arabinofuranosidase from Meripilus giganteus: conserved substrate recognition from bacteria to fungi.
Acta Crystallogr D Struct Biol, 76, 2020
6ZQ1
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Structure of AraDNJ-Bound MgGH51 a-L-Arabinofuranosidase Crystal Type 1
分子名称: 1,4-DIDEOXY-1,4-IMINO-L-ARABINITOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者McGregor, N.G.S, Davies, G.J.
登録日2020-07-09
公開日2020-11-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of a GH51 alpha-L-arabinofuranosidase from Meripilus giganteus: conserved substrate recognition from bacteria to fungi.
Acta Crystallogr D Struct Biol, 76, 2020
7A0L
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Joint neutron/X-ray room temperature structure of perdeuterated Aspergillus flavus urate oxidase in complex with the 8-azaxanthine inhibitor and catalytic water bound in the peroxo hole
分子名称: 8-AZAXANTHINE, SODIUM ION, Uricase
著者McGregor, L, Bui, S, Blakeley, M.P, Steiner, R.A.
登録日2020-08-09
公開日2020-12-09
最終更新日2024-05-01
実験手法NEUTRON DIFFRACTION (1.33 Å), X-RAY DIFFRACTION
主引用文献Joint neutron/X-ray crystal structure of a mechanistically relevant complex of perdeuterated urate oxidase and simulations provide insight into the hydration step of catalysis.
Iucrj, 8, 2021
6ZPV
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Structure of Unliganded MgGH51 a-L-Arabinofuranosidase Crystal Type 3
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, GLYCEROL, ...
著者McGregor, N.G.S, Davies, G.J.
登録日2020-07-09
公開日2020-11-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structure of a GH51 alpha-L-arabinofuranosidase from Meripilus giganteus: conserved substrate recognition from bacteria to fungi.
Acta Crystallogr D Struct Biol, 76, 2020
6ZQ0
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Structure of a-l-AraAZI-Bound MgGH51 a-L-Arabinofuranosidase Crystal Type 1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, MgGH51, ...
著者McGregor, N.G.S, Davies, G.J.
登録日2020-07-09
公開日2020-11-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Structure of a GH51 alpha-L-arabinofuranosidase from Meripilus giganteus: conserved substrate recognition from bacteria to fungi.
Acta Crystallogr D Struct Biol, 76, 2020

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