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2YNA
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BU of 2yna by Molmil
Crystal structure of the main protease of coronavirus HKU4
分子名称: 3C-LIKE PROTEINASE, GLYCEROL, IMIDAZOLE, ...
著者Ma, Q, Xiao, Y, Hilgenfeld, R.
登録日2012-10-13
公開日2013-10-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Inhibitor for the Main Protease of Coronavirus Hku4
To be Published
3K99
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BU of 3k99 by Molmil
HSP90 N-terminal domain in complex with 4-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)benzene-1,3-diol
分子名称: 4-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)benzene-1,3-diol, Heat shock protein HSP 90-alpha
著者Gajiwala, K.S, Davies II, J.F.
登録日2009-10-15
公開日2010-02-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Dihydroxyphenylisoindoline amides as orally bioavailable inhibitors of the heat shock protein 90 (hsp90) molecular chaperone.
J.Med.Chem., 53, 2010
2NC1
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BU of 2nc1 by Molmil
Solution structure of the delta-J-delta-K domain of EMCV IRES
分子名称: IRES RNA (67-MER)
著者Imai, S, D'Souza, V, Wagner, G.
登録日2016-03-16
公開日2016-08-10
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献An accurately preorganized IRES RNA structure enables eIF4G capture for initiation of viral translation.
Nat. Struct. Mol. Biol., 23, 2016
7C07
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BU of 7c07 by Molmil
Crystal structure of yeast U2AF1 complex bound to 5'-AAGGU RNA.
分子名称: RNA (5'-R(*U*AP*AP*GP*GP*U)-3'), Splicing factor U2AF 23 kDa subunit, Splicing factor U2AF 59 kDa subunit, ...
著者Yoshida, H, Park, S.Y, Urano, T, Obayashi, E.
登録日2020-04-30
公開日2020-09-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Elucidation of the aberrant 3' splice site selection by cancer-associated mutations on the U2AF1.
Nat Commun, 11, 2020
5M6Y
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BU of 5m6y by Molmil
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with a methylisoquinoline Fasudil-derivative
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(1,4-diazepan-1-ylsulfonyl)-4-methyl-isoquinoline, cAMP-dependent protein kinase catalytic subunit alpha, ...
著者Wienen-Schmidt, B, Heine, A, Klebe, G.
登録日2016-10-26
公開日2018-06-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.367 Å)
主引用文献Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with differently methylated Fasudil-derived ligands
To be Published
2YN5
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BU of 2yn5 by Molmil
Structural insight into the giant calcium-binding adhesin SiiE: implications for the adhesion of Salmonella enterica to polarized epithelial cells
分子名称: CALCIUM ION, PUTATIVE INNER MEMBRANE PROTEIN
著者Griessl, M.H, Schmid, B, Kassler, K, Braunsmann, C, Ritter, R, Barlag, B, Sturm, K.U, Danzer, C, Wagner, C, Schaeffer, T.E, Sticht, H, Hensel, M, Muller, Y.A.
登録日2012-10-12
公開日2013-04-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural Insight Into the Giant Ca(2+)-Binding Adhesin Siie: Implications for the Adhesion of Salmonella Enterica to Polarized Epithelial Cells.
Structure, 21, 2013
5M82
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BU of 5m82 by Molmil
Three-dimensional structure of the photoproduct state of GAF3 from Slr1393 of Synechocystis sp. PCC6803
分子名称: (2S)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, PHYCOCYANOBILIN, SODIUM ION, ...
著者Xu, X.-L, Zhao, K.-H, Gaertner, W, Hoeppner, A.
登録日2016-10-28
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structural elements regulating the photochromicity in a cyanobacteriochrome
Proc.Natl.Acad.Sci.USA, 2020
2YIR
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BU of 2yir by Molmil
Structural analysis of checkpoint kinase 2 in complex with inhibitor PV1352
分子名称: (E)-N-(5-(2-CARBAMIMIDOYLHYDRAZONO)-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)-7-NITRO-1H-INDOLE-2-CARBOXAMIDE, NITRATE ION, SERINE/THREONINE-PROTEIN KINASE CHK2
著者Lountos, G.T, Jobson, A.G, Tropea, J.E, Self, C, Zhang, G, Pommier, Y, Shoemaker, R.H, Waugh, D.S.
登録日2011-05-16
公開日2011-09-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献X-Ray Structures of Checkpoint Kinase 2 in Complex with Inhibitors that Target its Gatekeeper-Dependent Hydrophobic Pocket.
FEBS Lett., 585, 2011
7QLN
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BU of 7qln by Molmil
rsKiiro pump probe structure by TR-SFX
分子名称: rsKiiro
著者van Thor, J.J.
登録日2021-12-20
公開日2023-10-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Optical control of ultrafast structural dynamics in a fluorescent protein.
Nat.Chem., 15, 2023
2N67
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BU of 2n67 by Molmil
C-terminal domain of Hemolysin II-P87M-BMRB
分子名称: Hemolysin II
著者Kaplan, A.R, Maciejewski, M.W, Olson, R, Alexandrescu, A.T.
登録日2015-08-13
公開日2016-08-17
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献NMR structure of the Bacillus cereus hemolysin II C-terminal domain reveals a novel fold.
Sci Rep, 7, 2017
2G7O
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BU of 2g7o by Molmil
Protonation-mediated structural flexibility in the F conjugation regulatory protein, TraM
分子名称: Protein traM
著者Lu, J, Edwards, R.A, Wong, J.J, Manchak, J, Scott, P.G, Frost, L.S, Glover, J.N.
登録日2006-02-28
公開日2006-06-13
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Protonation-mediated structural flexibility in the F conjugation regulatory protein, TraM.
Embo J., 25, 2006
5M84
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BU of 5m84 by Molmil
Translation initiation factor 4E in complex with (SP)-m2(7,2'O)GppSpA mRNA 5' cap analog
分子名称: Eukaryotic translation initiation factor 4E, GLYCEROL, [[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanyl-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate
著者Warminski, M, Nowak, E, Kowalska, J, Jemielity, J, Nowotny, M.
登録日2016-10-28
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Translation initiation factor 4E in complex with (SP)-m2(7,2'O)GppSpA mRNA 5' cap analog
To Be Published
2YIV
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BU of 2yiv by Molmil
NI,FE-CODH with n-butylisocyanate state
分子名称: CARBON MONOXIDE DEHYDROGENASE 2, FE (III) ION, FE(3)-NI(1)-S(4) CLUSTER, ...
著者Jeoung, J.H, Dobbek, H.
登録日2011-05-16
公開日2012-03-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献N-Butyl Isocyanide Oxidation at the [Nife4S4Oh(X)] Cluster of Co Dehydrogenase.
J.Biol.Inorg.Chem., 17, 2012
5MHM
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BU of 5mhm by Molmil
FXIIIa in complex with the inhibitor ZED1630
分子名称: CALCIUM ION, CHLORIDE ION, Coagulation factor XIII A chain, ...
著者Stieler, M, Heine, A, Klebe, G.
登録日2016-11-24
公開日2017-12-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献FXIIIa in complex with the inhibitor Mi0621
To Be Published
3JQY
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BU of 3jqy by Molmil
Crystal Structure of the polySia specific acetyltransferase NeuO
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Polysialic acid O-acetyltransferase
著者Schulz, E.-C, Bergfeld, A, Muehlenhoff, M, Ficner, R.
登録日2009-09-08
公開日2010-08-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.699 Å)
主引用文献Crystal structure analysis of the polysialic acid specific O-acetyltransferase NeuO
PLoS ONE, 6, 2011
8QYA
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BU of 8qya by Molmil
J22.9-FNY, fully humanized, CDR optimized Fab Fragment based on chimeric J22.9-xi IgG against BCMA; with VH CDR2 glycosylation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, Chains: A, ...
著者Marino, S.F, Daumke, O.
登録日2023-10-25
公開日2024-01-17
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Structure-based humanization of a therapeutic antibody for Multiple Myeloma
To Be Published
8RI0
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BU of 8ri0 by Molmil
Crystal structure of Tm1570 domain from Calditerrivibrio nitroreducens in complex with S-adenosyl-L-methionine
分子名称: S-ADENOSYLMETHIONINE, tRNA (guanine-N(1)-)-methyltransferase
著者Kluza, A, Lewandowska, I, Sulkowska, J.
登録日2023-12-18
公開日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Are there double knots in proteins? Prediction and in vitro verification based on TrmD-Tm1570 fusion from C. nitroreducens. To be published
To Be Published
2YBJ
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BU of 2ybj by Molmil
Nitrate X-ray induced reduction on HEWL crystals (12.31 MGy)
分子名称: LYSOZYME C, NITRITE ION
著者De la Mora, E, Carmichael, I, Garman, E.F.
登録日2011-03-08
公開日2011-07-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Effective Scavenging at Cryotemperatures: Further Increasing the Dose Tolerance of Protein Crystals.
J.Synchrotron.Radiat., 18, 2011
2YBQ
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BU of 2ybq by Molmil
The x-ray structure of the SAM-dependent uroporphyrinogen III methyltransferase NirE from Pseudomonas aeruginosa in complex with SAH and uroporphyrinogen III
分子名称: METHYLTRANSFERASE, S-ADENOSYL-L-HOMOCYSTEINE, UROPORPHYRINOGEN III
著者Storbeck, S, Saha, S, Krausze, J, Klink, B.U, Heinz, D.W, Layer, G.
登録日2011-03-09
公開日2011-06-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of the Heme D1 Biosynthesis Enzyme Nire in Complex with its Substrate Reveals New Insights Into the Catalytic Mechanism of S-Adenosyl-L-Methionine-Dependent Uroporphyrinogen III Methyltransferases.
J.Biol.Chem., 286, 2011
3JWT
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BU of 3jwt by Molmil
Structure of rat neuronal nitric oxide synthase R349A mutant heme domain in complex with N1-{(3'R,4'R)-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)ethane-1,2-diamine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-{(3R,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine, ...
著者Delker, S.L, Li, H, Poulos, T.L.
登録日2009-09-18
公開日2010-05-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Unexpected binding modes of nitric oxide synthase inhibitors effective in the prevention of a cerebral palsy phenotype in an animal model.
J.Am.Chem.Soc., 132, 2010
2YCS
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BU of 2ycs by Molmil
Crystal structure of checkpoint kinase 2 in complex with PV788
分子名称: N-{4-[(1E)-N-CARBAMIMIDOYLETHANEHYDRAZONOYL]PHENYL}-1H-INDOLE-3-CARBOXAMIDE, NITRATE ION, SERINE/THREONINE-PROTEIN KINASE CHK2
著者Lountos, G.T, Jobson, A.G, Tropea, J.E, Self, C.R, Pommier, Y, Shoemaker, R.H, Zhang, G, Waugh, D.S.
登録日2011-03-16
公開日2011-11-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural Characterization of Inhibitor Complexes with Checkpoint Kinase 2 (Chk2), a Drug Target for Cancer Therapy.
J.Struct.Biol., 176, 2011
2NDM
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BU of 2ndm by Molmil
NMR solution structure of PawS Derived Peptide 21 (PDP-21)
分子名称: PawS derived peptide 21
著者Franke, B, Jayasena, A.S, Fisher, M.F, Swedberg, J.E, Taylor, N.L, Mylne, J.S, Rosengren, K.
登録日2016-07-17
公開日2016-08-24
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Diverse cyclic seed peptides in the Mexican zinnia (Zinnia haageana).
Biopolymers, 106, 2016
7RB2
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BU of 7rb2 by Molmil
Cryo-EM structure of SARS-CoV-2 NSP15 NendoU in BIS-Tris pH 6.0
分子名称: Uridylate-specific endoribonuclease
著者Godoy, A.S, Song, Y, Nakamura, A.M, Noske, G.D, Gawriljuk, V.O, Fernandes, R.S, Oliva, G.
登録日2021-07-05
公開日2021-07-14
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.27 Å)
主引用文献Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 51, 2023
5MA1
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BU of 5ma1 by Molmil
PCE reductive dehalogenase from S. multivorans in complex with 2,4,6-trichlorophenol
分子名称: 2,4,6-trichlorophenol, GLYCEROL, IRON/SULFUR CLUSTER, ...
著者Kunze, C, Bommer, M, Hagen, W.R, Uksa, M, Dobbek, H, Schubert, T, Diekert, G.
登録日2016-11-02
公開日2017-07-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.498 Å)
主引用文献Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer.
Nat Commun, 8, 2017
3JX1
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BU of 3jx1 by Molmil
Structure of rat neuronal nitric oxide synthase D597N mutant heme domain in complex with N1-{(3'R,4'R)-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)ethane-1,2-diamine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-{(3R,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine, ...
著者Delker, S.L, Li, H, Poulos, T.L.
登録日2009-09-18
公開日2010-05-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Unexpected binding modes of nitric oxide synthase inhibitors effective in the prevention of a cerebral palsy phenotype in an animal model.
J.Am.Chem.Soc., 132, 2010

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