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5EAI
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BU of 5eai by Molmil
Crystal Structure of NAD(P)H dehydrogenase, quinone 1 complexed with a chemotherapeutic naphthoquinone E6a
分子名称: (2~{R},3~{R})-2-[(2~{S},3~{S})-3-bromanyl-1,4-bis(oxidanylidene)-2,3-dihydronaphthalen-2-yl]-3-oxidanyl-2,3-dihydronaphthalene-1,4-dione, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1
著者Pidugu, L.S, Mbimba, J.E, Ahmad, M, Pozharski, E, Sausville, E.A, Emadi, A, Toth, E.A.
登録日2015-10-16
公開日2016-02-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A direct interaction between NQO1 and a chemotherapeutic dimeric naphthoquinone.
Bmc Struct.Biol., 16, 2016
6OFG
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BU of 6ofg by Molmil
In vitro polymerized PrgI V67A filaments
分子名称: Protein PrgI
著者Guo, E.Z, Galan, J.E.
登録日2019-03-29
公開日2019-07-10
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献A polymorphic helix of a Salmonella needle protein relays signals defining distinct steps in type III secretion.
Plos Biol., 17, 2019
6O90
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BU of 6o90 by Molmil
Cryo-EM image reconstruction of the 70S Ribosome Enterococcus faecalis Class05
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Jogl, G, Khayat, R.
登録日2019-03-12
公開日2020-09-23
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.49 Å)
主引用文献Cryo-electron microscopy structure of the 70S ribosome from Enterococcus faecalis.
Sci Rep, 10, 2020
8T2P
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BU of 8t2p by Molmil
5TU-t1 - heterodimeric triplet polymerase ribozyme
分子名称: RNA (135-MER), RNA (152-MER)
著者McRae, E.K.S, Kristoffersen, E, Gallego, I, Hansen, K, Holliger, P, Andersen, E.S.
登録日2023-06-06
公開日2024-01-24
実験手法ELECTRON MICROSCOPY (5 Å)
主引用文献Cryo-EM structure and functional landscape of an RNA polymerase ribozyme.
Proc.Natl.Acad.Sci.USA, 121, 2024
7ON9
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BU of 7on9 by Molmil
Crystal structure of para-hydroxybenzoate-3-hydroxylase PraI
分子名称: 4-hydroxybenzoate 3-monooxygenase (NAD(P)H), FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOIC ACID
著者Zahn, M, McGeehan, J.E.
登録日2021-05-25
公開日2022-01-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Debottlenecking 4-hydroxybenzoate hydroxylation in Pseudomonas putida KT2440 improves muconate productivity from p-coumarate.
Metab Eng, 70, 2022
6E53
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BU of 6e53 by Molmil
Structure of TERT in complex with a novel telomerase inhibitor
分子名称: MAGNESIUM ION, RNA/DNA hairpin, Telomerase reverse transcriptase, ...
著者Hernandez-Sanchez, W, Huang, W, Plucinsky, B, Garcia-Vazquez, N, Berdis, A.J, Skordalakes, E, Taylor, D.J.
登録日2018-07-19
公開日2019-03-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A non-natural nucleotide uses a specific pocket to selectively inhibit telomerase activity.
Plos Biol., 17, 2019
6S0S
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BU of 6s0s by Molmil
The crystal structure of kanamycin B dioxygenase (KanJ) from Streptomyces kanamyceticus in complex with nickel, ribostamycin B and 2-oxoglutarate
分子名称: 2-OXOGLUTARIC ACID, CHLORIDE ION, Kanamycin B dioxygenase, ...
著者Mrugala, B, Porebski, P.J, Niedzialkowska, E, Minor, W, Borowski, T.
登録日2019-06-18
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A study on the structure, mechanism, and biochemistry of kanamycin B dioxygenase (KanJ)-an enzyme with a broad range of substrates.
Febs J., 288, 2021
5KW6
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BU of 5kw6 by Molmil
Two Tandem RRM Domains of PUF60 Bound to an AdML Pre-mRNA 3' Splice Site Analogue with a Modified Binding-Site Nucleic Acid Base
分子名称: DNA (30-MER), Poly(U)-binding-splicing factor PUF60
著者Crichlow, G.V, Hsiao, H.-H, Albright, R, Lolis, E.J, Braddock, D.T.
登録日2016-07-15
公開日2017-08-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Unraveling the mechanism of recognition of the 3' splice site of the adenovirus major late promoter intron by the alternative splicing factor PUF60.
Plos One, 15, 2020
1BBC
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BU of 1bbc by Molmil
STRUCTURE OF RECOMBINANT HUMAN RHEUMATOID ARTHRITIC SYNOVIAL FLUID PHOSPHOLIPASE A2 AT 2.2 ANGSTROMS RESOLUTION
分子名称: PHOSPHOLIPASE A2
著者Wery, J.-P, Schevitz, R.W, Clawson, D.K, Bobbitt, J.L, Dow, E.R, Gamboa, G, Goodsonjunior, T, Hermann, R.B, Kramer, R.M, Mcclure, D.B, Mihelich, E.D, Putnam, J.E, Sharp, J.D, Stark, D.H, Teater, C, Warrick, M.W, Jones, N.D.
登録日1992-05-04
公開日1993-10-31
最終更新日2019-08-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of recombinant human rheumatoid arthritic synovial fluid phospholipase A2 at 2.2 A resolution.
Nature, 352, 1991
5KZP
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BU of 5kzp by Molmil
Structure of the HCV1-C1 Antibody-Antigen Complex
分子名称: ACETATE ION, C1 Epitope, CALCIUM ION, ...
著者Piepenbrink, K.H, Sundberg, E.J.
登録日2016-07-25
公開日2017-07-05
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.262 Å)
主引用文献Structure-Based Design of Hepatitis C Virus Vaccines That Elicit Neutralizing Antibody Responses to a Conserved Epitope.
J. Virol., 91, 2017
6OFH
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BU of 6ofh by Molmil
Structure of Salmonella type III secretion system needle filament
分子名称: Protein PrgI
著者Guo, E.Z, Galan, J.E.
登録日2019-03-29
公開日2019-07-10
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献A polymorphic helix of a Salmonella needle protein relays signals defining distinct steps in type III secretion.
Plos Biol., 17, 2019
6XNN
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BU of 6xnn by Molmil
Crystal Structure of Mouse STING CTD complex with SR-717.
分子名称: 4,5-difluoro-2-{[6-(1H-imidazol-1-yl)pyridazine-3-carbonyl]amino}benzoic acid, Stimulator of interferon genes protein
著者Chin, E.N, Yu, C, Wolan, D.W, Petrassi, H.M, Lairson, L.L.
登録日2020-07-03
公開日2020-08-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Antitumor activity of a systemic STING-activating non-nucleotide cGAMP mimetic.
Science, 369, 2020
1BBT
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BU of 1bbt by Molmil
METHODS USED IN THE STRUCTURE DETERMINATION OF FOOT AND MOUTH DISEASE VIRUS
分子名称: FOOT-AND-MOUTH DISEASE VIRUS (SUBUNIT VP1), FOOT-AND-MOUTH DISEASE VIRUS (SUBUNIT VP2), FOOT-AND-MOUTH DISEASE VIRUS (SUBUNIT VP3), ...
著者Acharya, K.R, Fry, E.E, Logan, D.T, Stuart, D.I.
登録日1992-05-18
公開日1994-01-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Methods used in the structure determination of foot-and-mouth disease virus.
Acta Crystallogr.,Sect.A, 49, 1993
7A4O
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BU of 7a4o by Molmil
Structure of DYRK1A in complex with AMPNP
分子名称: Dual specificity tyrosine-phosphorylation-regulated kinase 1A, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Dokurno, P, Surgenor, A.E, Hubbard, R.E.
登録日2020-08-20
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B.
J.Med.Chem., 64, 2021
7A4R
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BU of 7a4r by Molmil
Structure of DYRK1A in complex with compound 1
分子名称: 2-amino-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Dokurno, P, Surgenor, A.E, Hubbard, R.E.
登録日2020-08-20
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B.
J.Med.Chem., 64, 2021
7A55
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BU of 7a55 by Molmil
Structure of DYRK1A in complex with compound 8
分子名称: 3-(1-methylpyrazol-4-yl)-1~{H}-pyrazole-5-carboxylic acid, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Dokurno, P, Surgenor, A.E, Hubbard, R.E.
登録日2020-08-20
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B.
J.Med.Chem., 64, 2021
7A52
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BU of 7a52 by Molmil
Structure of DYRK1A in complex with compound 6
分子名称: 3-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ...
著者Dokurno, P, Surgenor, A.E, Hubbard, R.E.
登録日2020-08-20
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B.
J.Med.Chem., 64, 2021
7A4W
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BU of 7a4w by Molmil
Structure of DYRK1A in complex with compound 3
分子名称: 6-(4-methoxyphenyl)pyrimidine-2,4-diamine, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Dokurno, P, Surgenor, A.E, Hubbard, R.E.
登録日2020-08-20
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B.
J.Med.Chem., 64, 2021
7A5N
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BU of 7a5n by Molmil
Structure of DYRK1A in complex with compound 34
分子名称: 5-(2-azanylpyridin-4-yl)-~{N}-[[2,6-bis(fluoranyl)phenyl]methyl]-2-methyl-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Dokurno, P, Surgenor, A.E, Hubbard, R.E.
登録日2020-08-21
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B.
J.Med.Chem., 64, 2021
7A5D
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BU of 7a5d by Molmil
Structure of DYRK1A in complex with compound 16
分子名称: 4-azanyl-2-methyl-6-pyridin-3-yl-7~{H}-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Dokurno, P, Surgenor, A.E, Hubbard, R.E.
登録日2020-08-21
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B.
J.Med.Chem., 64, 2021
7A5B
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BU of 7a5b by Molmil
Structure of DYRK1A in complex with complex 10
分子名称: 4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Dokurno, P, Surgenor, A.E, Hubbard, R.E.
登録日2020-08-20
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B.
J.Med.Chem., 64, 2021
6XXV
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BU of 6xxv by Molmil
Crystal Structure of a computationally designed Immunogen S2_1.2 in complex with its elicited antibody C57
分子名称: Antibody C57, Heavy Chain, Light Chain, ...
著者Yang, C, Sesterhenn, F, Correia, B.E, Pojer, F.
登録日2020-01-28
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.20116425 Å)
主引用文献De novo protein design enables the precise induction of RSV-neutralizing antibodies.
Science, 368, 2020
5L6L
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BU of 5l6l by Molmil
Structure of Caulobacter crescentus VapBC1 bound to operator DNA
分子名称: DNA (27-MER), Ribonuclease VapC, VapB family protein
著者Bendtsen, K.L, Xu, K, Luckmann, M, Brodersen, D.E.
登録日2016-05-30
公開日2016-12-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Toxin inhibition in C. crescentus VapBC1 is mediated by a flexible pseudo-palindromic protein motif and modulated by DNA binding.
Nucleic Acids Res., 45, 2017
6O8Z
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BU of 6o8z by Molmil
Cryo-EM image reconstruction of the 70S Ribosome Enterococcus faecalis Class04
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Jogl, G, Khayat, R.
登録日2019-03-12
公開日2020-09-16
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.49 Å)
主引用文献Cryo-electron microscopy structure of the 70S ribosome from Enterococcus faecalis.
Sci Rep, 10, 2020
6ES3
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BU of 6es3 by Molmil
Structure of CDX2-DNA(TCG)
分子名称: DNA (5'-D(P*GP*GP*AP*GP*GP*TP*CP*GP*TP*AP*AP*AP*AP*CP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*TP*GP*TP*TP*TP*TP*AP*CP*GP*AP*CP*CP*TP*CP*C)-3'), Homeobox protein CDX-2
著者Morgunova, E, Yin, Y, Jolma, A, Popov, A, Taipale, J.
登録日2017-10-19
公開日2018-03-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Two distinct DNA sequences recognized by transcription factors represent enthalpy and entropy optima.
Elife, 7, 2018

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