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5XF6
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BU of 5xf6 by Molmil
Nucleosome core particle with an adduct of a binuclear RAPTA (Ru-arene-phosphaadamantane) compound having an ethylenediamine linker
分子名称: DNA (145-MER), ETHANE-1,2-DIAMINE, Histone H2A, ...
著者Ma, Z, Adhireksan, Z, Murray, B.S, Dyson, P.J, Davey, C.A.
登録日2017-04-07
公開日2017-10-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Nucleosome acidic patch-targeting binuclear ruthenium compounds induce aberrant chromatin condensation
Nat Commun, 8, 2017
4D2S
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BU of 4d2s by Molmil
Human TTK in complex with a Dyrk1B inhibitor
分子名称: DUAL SPECIFICITY PROTEIN KINASE TTK, N-{2-methoxy-4-[(1-methylpiperidin-4-yl)oxy]phenyl}-4-(1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine
著者Debreczeni, J.E, Kettle, J.G, Ballard, P, Bardelle, C, Butterworth, S, Colclough, N, Critchlow, S.E, Fairley, G, Fillery, S, Graham, M.A, Goodwin, L, Guichard, S, Hudson, K, Mahmood, A, Vincent, J, Ward, R.A, Whittaker, D.
登録日2014-05-12
公開日2015-04-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery and Optimization of a Novel Series of Dyrk1B Kinase Inhibitors to Explore a Mek Resistance Hypothesis.
J.Med.Chem., 58, 2015
7VNT
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BU of 7vnt by Molmil
Structure of aminotransferase-substrate complex
分子名称: 1,2-ETHANEDIOL, 454aa long hypothetical 4-aminobutyrate aminotransferase, GLYCEROL, ...
著者Sakuraba, H, Ohshida, T, Ohshima, T.
登録日2021-10-12
公開日2022-03-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Crystal structure of a novel type of ornithine delta-aminotransferase from the hyperthermophilic archaeon Pyrococcus horikoshii.
Int.J.Biol.Macromol., 208, 2022
5BN2
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BU of 5bn2 by Molmil
Room Temperature Structure of Pichia pastoris aquaporin at 1.3 A
分子名称: AQY1 protein, CALCIUM ION, CHLORIDE ION, ...
著者Fischer, G, Kosinska Eriksson, U, Hedfalk, K, Neutze, R.
登録日2015-05-25
公開日2016-06-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Room Temperature Structure of Pichia pastoris aquaporin at 1.3 A
To Be Published
9MEV
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BU of 9mev by Molmil
Structure of H1H3:FluA20 Chimeric Antigen Complex
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Seraj, N.
登録日2024-12-08
公開日2025-03-19
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Structure-based Design of Chimeric Influenza Hemagglutinins to Elicit Cross-group Immunity.
Biorxiv, 2025
8BEP
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BU of 8bep by Molmil
Cryo-EM structure of the Arabidopsis thaliana I+III2 supercomplex (CIII MPP domain)
分子名称: Cytochrome b-c1 complex subunit 7-2, mitochondrial, Cytochrome b-c1 complex subunit Rieske-1, ...
著者Klusch, N, Kuehlbrandt, W.
登録日2022-10-21
公開日2023-01-11
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.29 Å)
主引用文献Cryo-EM structure of the respiratory I + III 2 supercomplex from Arabidopsis thaliana at 2 angstrom resolution.
Nat.Plants, 9, 2023
9DCR
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BU of 9dcr by Molmil
Structure of the TelA-associated type VII secretion system chaperone SIR_0168
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DUF4176 domain-containing protein
著者Grebenc, D.W, Kim, Y, Whitney, J.C.
登録日2024-08-27
公開日2025-11-05
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A widespread family of molecular chaperones promotes the intracellular stability of type VIIb secretion system-exported toxins.
Proc.Natl.Acad.Sci.USA, 122, 2025
9MER
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BU of 9mer by Molmil
Structure of H1H5:FluA20 Chimeric Influenza HA Complex
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
著者Seraj, N.
登録日2024-12-08
公開日2025-03-19
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based Design of Chimeric Influenza Hemagglutinins to Elicit Cross-group Immunity.
Biorxiv, 2025
9L5R
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BU of 9l5r by Molmil
Cryo-EM structure of the thermophile spliceosome (state ILS)
分子名称: Anaphase-promoting complex subunit 4-like WD40 domain-containing protein, CCDC12, Cell cycle control protein, ...
著者Li, Y, Fischer, P, Wang, M, Yuan, R, Meng, W, Luehrmann, R, Lau, B, Hurt, E, Cheng, J.
登録日2024-12-23
公開日2025-03-12
最終更新日2025-04-16
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural insights into spliceosome fidelity: DHX35-GPATCH1- mediated rejection of aberrant splicing substrates.
Cell Res., 35, 2025
8SC7
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BU of 8sc7 by Molmil
Structure of EGFR in complex with MTX-531
分子名称: CHLORIDE ION, Epidermal growth factor receptor, GLYCEROL, ...
著者Whitehead, C.E, Leopold, J.
登録日2023-04-05
公開日2024-06-12
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (1.984 Å)
主引用文献A first-in-class selective inhibitor of EGFR and PI3K offers a single-molecule approach to targeting adaptive resistance.
Nat Cancer, 5, 2024
8S3R
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BU of 8s3r by Molmil
HUMAN PI3KDELTA IN COMPLEX WITH PYRIDAZINONE INHIBITOR 7
分子名称: 5-[(1~{S})-1-[4-azanyl-3-(5-oxidanylpyridin-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-cyclopentyl-2-(phenylmethyl)pyridazin-3-one, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Pala, D, Bruno, P, Capelli, A.M, Biagetti, M.
登録日2024-02-20
公開日2024-07-03
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Discovery and Optimization of Pyridazinones as PI3K delta Selective Inhibitors for Administration by Inhalation.
J.Med.Chem., 67, 2024
2VUJ
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BU of 2vuj by Molmil
Environmentally isolated GH11 xylanase
分子名称: GH11 XYLANASE, GLYCEROL
著者Dumon, C, Varvak, A, Wall, M.A, Flint, J.E, Lewis, R.J, Lakey, J.H, Luginbuhl, P, Healey, S, Todaro, T, DeSantis, G, Sun, M, Parra-Gessert, L, Tan, X, Weiner, D.P, Gilbert, H.J.
登録日2008-05-26
公開日2008-06-17
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Engineering Hyperthermostability Into a Gh11 Xylanase is Mediated by Subtle Changes to Protein Structure.
J.Biol.Chem., 283, 2008
3VRJ
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BU of 3vrj by Molmil
HLA-B*57:01-LTTKLTNTNI in complex with abacavir
分子名称: 10-mer peptide, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
著者Vivian, J.P, Illing, P.T, McCluskey, J, Rossjohn, J.
登録日2012-04-11
公開日2012-05-30
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Immune self-reactivity triggered by drug-modified HLA-peptide repertoire
Nature, 486, 2012
9EPL
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BU of 9epl by Molmil
Mpro from SARS-CoV-2 with 298Q mutation
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Non-structural protein 11, ...
著者Plewka, J, Lis, K, Czarna, A, Pyrc, K, Kantyka, T, Chykunova, Y.
登録日2024-03-18
公開日2024-04-17
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献SARS-CoV-2 M pro oligomerization as a potential target for therapy.
Int.J.Biol.Macromol., 267, 2024
8RPX
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BU of 8rpx by Molmil
NhoI restriction endonuclease in complex with quadruply methylated DNA target
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, DNA (5'-D(*CP*TP*GP*(5CM)P*AP*GP*(5CM)P*TP*C)-3'), ...
著者Rafalski, D, Krakowska, K, Gilski, M, Bochtler, M.
登録日2024-01-17
公開日2024-07-17
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Structural analysis of the BisI family of modification dependent restriction endonucleases.
Nucleic Acids Res., 52, 2024
6P3H
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BU of 6p3h by Molmil
Crystal structure of LigU(K66M) bound to substrate
分子名称: (1E)-4-oxobut-1-ene-1,2,4-tricarboxylic acid, (4E)-oxalomesaconate Delta-isomerase, CHLORIDE ION
著者Cory, S.A, Hogancamp, T.N, Raushel, F.M, Barondeau, D.P.
登録日2019-05-23
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Structure and Chemical Reaction Mechanism of LigU, an Enzyme That Catalyzes an Allylic Isomerization in the Bacterial Degradation of Lignin.
Biochemistry, 58, 2019
4QYB
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BU of 4qyb by Molmil
2.1 Angstrom resolution crystal structure of uncharacterized protein, disulfide-bridged dimer, from Burkholderia cenocepacia J2315
分子名称: Uncharacterized protein
著者Halavaty, A.S, Filippova, E.V, Minasov, G, Kiryukhina, O, Jedrzejczak, R, Shuvalova, L, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
登録日2014-07-24
公開日2014-08-13
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献2.1 Angstrom resolution crystal structure of uncharacterized protein, disulfide-bridged dimer, from Burkholderia cenocepacia J2315
To be Published
6TQB
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BU of 6tqb by Molmil
X-ray structure of Roquin ROQ domain in complex with a UCP3 CDE1 SL RNA motif
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ...
著者Binas, O, Tants, J.-N, Peter, S.A, Janowski, R, Davydova, E, Braun, J, Niessing, D, Schwalbe, H, Weigand, J.E, Schlundt, A.
登録日2019-12-16
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural basis for the recognition of transiently structured AU-rich elements by Roquin.
Nucleic Acids Res., 48, 2020
3GGF
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BU of 3ggf by Molmil
Crystal structure of human Serine/threonine-protein kinase MST4 in complex with an quinazolin
分子名称: CADMIUM ION, Serine/threonine-protein kinase MST4, [4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)AMINO]QUINAZOLIN-2-YL}IMINO)CYCLOHEXA-2,5-DIEN-1-YL]ACETONITRILE
著者Chaikuad, A, Rellos, P, Eidarus, S, Das, S, Pike, A.C.W, Sethi, R, Fedorov, O, Savitsky, P, Roos, A.K, Filippakopoulos, P, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC)
登録日2009-02-27
公開日2009-03-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural comparison of human mammalian ste20-like kinases
Plos One, 5, 2010
3VI1
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BU of 3vi1 by Molmil
Crystal structure of Pseudomonas aerginosa alkaline protease complexed with Substance P(1-6)
分子名称: Alkaline metalloproteinase, CALCIUM ION, Substance P1-6, ...
著者Matoba, K, Harada, S.
登録日2011-09-13
公開日2012-09-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of Pseudomonas aerginosa alkaline protease complexed with Substance P(1-6)
To be Published
6TTN
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BU of 6ttn by Molmil
N-terminally truncated hyoscyamine 6-hydroxylase (tH6H) in complex with N-oxalylglycine and hyoscyamine
分子名称: 1,2-ETHANEDIOL, Hyoscyamine 6 beta-hydroxylase, N-OXALYLGLYCINE, ...
著者Kluza, A, Mrugala, B, Porebski, P.J, Kurpiewska, K, Niedzialkowska, E, Weiss, M.S, Borowski, T.
登録日2019-12-29
公開日2020-03-18
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Regioselectivity of hyoscyamine 6 beta-hydroxylase-catalysed hydroxylation as revealed by high-resolution structural information and QM/MM calculations.
Dalton Trans, 49, 2020
6IRB
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BU of 6irb by Molmil
C-terminal coiled coil domain of Drosophila phospholipase C beta NORPA, selenomethionine
分子名称: 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase
著者Ye, F, Li, J, Huang, Y, Liu, W, Zhang, M.
登録日2018-11-12
公開日2019-01-02
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.661 Å)
主引用文献An unexpected INAD PDZ tandem-mediated plc beta binding in Drosophila photo receptors.
Elife, 7, 2018
3FCC
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BU of 3fcc by Molmil
CRYSTAL STRUCTURE OF DLTA PROTEIN IN COMPLEX WITH ATP and MAGNESIUM
分子名称: ADENOSINE-5'-TRIPHOSPHATE, D-alanine--poly(phosphoribitol) ligase subunit 1, MAGNESIUM ION
著者Osman, K.T, Du, L, He, Y, Luo, Y.
登録日2008-11-21
公開日2009-04-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Crystal structure of Bacillus cereus D-alanyl carrier protein ligase (DltA) in complex with ATP.
J.Mol.Biol., 388, 2009
8CM7
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BU of 8cm7 by Molmil
W-formate dehydrogenase M405A from Desulfovibrio vulgaris
分子名称: 1,2-ETHANEDIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, CHLORIDE ION, ...
著者Vilela-Alves, G, Mota, C, Oliveira, A.R, Manuel, R.R, Pereira, I.C, Romao, M.J.
登録日2023-02-17
公開日2023-09-27
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.117 Å)
主引用文献An allosteric redox switch involved in oxygen protection in a CO 2 reductase.
Nat.Chem.Biol., 20, 2024
8HLJ
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BU of 8hlj by Molmil
Mutated human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to Olaparib (AZD2281)
分子名称: 4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one, Poly [ADP-ribose] polymerase 2
著者Wang, X.Y, Zhou, J, Xu, B.L.
登録日2022-11-30
公開日2024-05-01
最終更新日2025-05-14
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Engaging an engineered PARP-2 catalytic domain mutant to solve the complex structures harboring approved drugs for structure analyses.
Bioorg.Chem., 160, 2025

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