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5Y2J
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BU of 5y2j by Molmil
Crystal structure of the oligomerization domain of NSP4 from rotavirus strain MF66
分子名称: 1,2-ETHANEDIOL, NICKEL (II) ION, Nonstructural protein 4
著者Suguna, K, Kumar, S.
登録日2017-07-26
公開日2018-03-14
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献New tetrameric forms of the rotavirus NSP4 with antiparallel helices.
Arch. Virol., 163, 2018
9AUY
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BU of 9auy by Molmil
Crystal structure of S. aureus GuaB dCBS with inhibitor GNE9123
分子名称: INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase, N-(6-chloropyridin-3-yl)-N~2~-(1,4-dihydro-2H-pyrano[3,4-c]quinolin-9-yl)-L-alaninamide
著者Harris, S.F, Wu, P.
登録日2024-03-01
公開日2025-01-15
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Discovery of GuaB inhibitors with efficacy against Acinetobacter baumannii infection.
Mbio, 15, 2024
6XWY
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BU of 6xwy by Molmil
Highly pH-resistant long stokes-shift, red fluorescent protein mCRISPRed
分子名称: 1,2-ETHANEDIOL, MALONIC ACID, Red fluorescent protein eqFP611
著者Erdogan, M, Fabritius, A, Basquin, J, Griesbeck, O.
登録日2020-01-24
公開日2020-02-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Targeted In Situ Protein Diversification and Intra-organelle Validation in Mammalian Cells.
Cell Chem Biol, 27, 2020
6P80
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BU of 6p80 by Molmil
Structure of E. coli MS115-1 CdnC + ATP
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ...
著者Ye, Q, Azimi, C.S, Corbett, K.D.
登録日2019-06-06
公開日2019-12-25
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献HORMA Domain Proteins and a Trip13-like ATPase Regulate Bacterial cGAS-like Enzymes to Mediate Bacteriophage Immunity.
Mol.Cell, 77, 2020
8V95
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BU of 8v95 by Molmil
GII.8 Amsterdam norovirus protruding domain
分子名称: 1,2-ETHANEDIOL, Capsid protein (Fragment)
著者Kher, G, Prewitt, A, Pancera, M, Hansman, G.
登録日2023-12-07
公開日2024-06-19
最終更新日2024-07-31
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Development of a broad-spectrum therapeutic Fc-nanobody for human noroviruses.
J.Virol., 98, 2024
9AVE
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BU of 9ave by Molmil
Mitochondrial fission 1 protein Fis1 T34E mutation
分子名称: Mitochondrial fission 1 protein
著者Mathews, I.I, Pokhrel, S, Wakatsuki, S.
登録日2024-03-01
公開日2025-05-21
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献A hidden cysteine in Fis1 targeted to prevent excessive mitochondrial fission and dysfunction under oxidative stress.
Nat Commun, 16, 2025
8HZD
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BU of 8hzd by Molmil
A new fluorescent RNA aptamer bound with N618
分子名称: 4-[(~{E})-2-[(4~{Z})-4-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methylidene]-1-methyl-5-oxidanylidene-imidazol-2-yl]ethenyl]benzenecarbonitrile, MAGNESIUM ION, RNA (36-MER)
著者Song, Q.Q, Ren, A.M.
登録日2023-01-09
公開日2024-06-19
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structural basis of a small monomeric Clivia fluorogenic RNA with a large Stokes shift.
Nat.Chem.Biol., 20, 2024
9QAT
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BU of 9qat by Molmil
Human angiotensin-1 converting enzyme N-domain in complex with quinaprilat
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Gregory, K.S, Acharya, K.R.
登録日2025-02-28
公開日2025-09-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Molecular basis of domain-specific angiotensin I-converting enzyme inhibition by the antihypertensive drugs enalaprilat, ramiprilat, trandolaprilat, quinaprilat and perindoprilat.
Febs J., 2025
6N01
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BU of 6n01 by Molmil
Structure of apo AztD from Citrobacter koseri
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, AztD Protein, ...
著者Yukl, E.T, Neupane, D.P.
登録日2018-11-06
公開日2019-09-18
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Crystal structures of AztD provide mechanistic insights into direct zinc transfer between proteins.
Commun Biol, 2, 2019
8CUR
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BU of 8cur by Molmil
Crystal structure of Cdk2 in complex with Cyclin A inhibitor 6-[(E)-2-(4-chlorophenyl)ethenyl]-2-{[(2R)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl}quinoline-4-carboxylic acid
分子名称: 6-[(E)-2-(4-chlorophenyl)ethenyl]-2-{[(2R)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl}quinoline-4-carboxylic acid, Cyclin-dependent kinase 2
著者Tripathi, S.M, Tambo, C.S, Kiss, G, Rubin, S.M.
登録日2022-05-17
公開日2023-04-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Biolayer Interferometry Assay for Cyclin-Dependent Kinase-Cyclin Association Reveals Diverse Effects of Cdk2 Inhibitors on Cyclin Binding Kinetics.
Acs Chem.Biol., 18, 2023
6DN3
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CRYSTAL STRUCTURE OF THE FMN RIBOSWITCH BOUND TO BRX1555 SPLIT RNA
分子名称: 7,8-dimethyl-2,4-dioxo-10-(3-phenylpropyl)-1,2,3,4-tetrahydrobenzo[g]pteridin-10-ium, CHLORIDE ION, MAGNESIUM ION, ...
著者Vicens, Q, Mondragon, E, Reyes, F.E, Berman, J, Kaur, H, Kells, K, Wickens, P, Wilson, J, Gadwood, R, Schostarez, H, Suto, R.K, Coish, P, Blount, K.F, Batey, R.T.
登録日2018-06-05
公開日2018-09-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-Activity Relationship of Flavin Analogues That Target the Flavin Mononucleotide Riboswitch.
ACS Chem. Biol., 13, 2018
6NCN
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BU of 6ncn by Molmil
Fragment-based Discovery of an apoE4 Stabilizer
分子名称: 1-(3-chlorophenyl)cyclobutane-1-carboximidamide, Apolipoprotein E
著者Jakob, C.G, Qiu, W.
登録日2018-12-11
公開日2019-04-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Fragment-Based Discovery of an Apolipoprotein E4 (apoE4) Stabilizer.
J.Med.Chem., 62, 2019
5MWE
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BU of 5mwe by Molmil
Complex between the Leucine Zipper (LZ, residues 490-567) and Centrosomin-motif 2 (CM2) domains of Drosophila melanogaster Centrosomin (Cnn)
分子名称: 1,2-ETHANEDIOL, 3,3',3''-phosphanetriyltripropanoic acid, Centrosomin, ...
著者Feng, Z, Johnson, S, Raff, J.W, Lea, S.M.
登録日2017-01-18
公開日2017-06-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Structural Basis for Mitotic Centrosome Assembly in Flies.
Cell, 169, 2017
6VV7
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BU of 6vv7 by Molmil
Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB136
分子名称: 5-[3-(5-methyl-1H-indol-3-yl)propoxy]-1-phenyl-1H-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ...
著者Ribeiro, J.A, Dias, M.V.B, Chavez-Pacheco, S.M.
登録日2020-02-17
公開日2020-07-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.999 Å)
主引用文献Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020
6SA8
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BU of 6sa8 by Molmil
ring-like DARPin-Armadillo fusion H83_D01
分子名称: 1,2-ETHANEDIOL, LYS-ARG-LYS-ARG-LYS-ARG-LYS-ARG-LYS-ARG, ring-like DARPin-Armadillo fusion H83_D01
著者Ernst, P, Honegger, A, van der Valk, F, Ewald, C, Mittl, P.R.E, Plucktun, A.
登録日2019-07-16
公開日2019-11-20
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Rigid fusions of designed helical repeat binding proteins efficiently protect a binding surface from crystal contacts.
Sci Rep, 9, 2019
7M8U
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BU of 7m8u by Molmil
Crystal Structure of HLA-B*35:01 in complex with IPFAMQMAY, an 9-mer epitope from SARS-CoV-2 spike (S896-904)
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen B, alpha chain, ...
著者Gras, S, Nguyen, A.T, Szeto, C.
登録日2021-03-30
公開日2021-06-23
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献SARS-CoV-2 Spike-Derived Peptides Presented by HLA Molecules
Biophysica, 1, 2021
6VV8
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BU of 6vv8 by Molmil
Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB285
分子名称: 5-{[3-(1H-indol-3-yl)propanoyl]amino}-1-phenyl-1H-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ...
著者Ribeiro, J.A, Chavez-Pacheco, S.M, Dias, M.V.B.
登録日2020-02-17
公開日2020-07-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.683 Å)
主引用文献Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020
8JQH
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BU of 8jqh by Molmil
Cryo EM map of full length PLC gamma 2 in autoinhibition state
分子名称: 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-2
著者Shin, Y.-C, Liao, M.
登録日2023-06-14
公開日2024-12-11
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献The crystal and cryo-EM structures of PLC gamma 2 reveal dynamic interdomain recognitions in autoinhibition.
Sci Adv, 10, 2024
8VLC
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BU of 8vlc by Molmil
Crystal structure of Zn-dependent hydrolase from Salmonella typhimurium LT2
分子名称: 1,2-ETHANEDIOL, HARLDQ motif MBL-fold protein, SULFATE ION
著者Chang, C, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Biology of Infectious Diseases, Center for Structural Biology of Infectious Diseases (CSBID)
登録日2024-01-11
公開日2024-07-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of Zn-dependent hydrolase from Salmonella typhimurium LT2
To Be Published
6VV9
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BU of 6vv9 by Molmil
Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB300
分子名称: 5-[4-(1H-indol-3-yl)butoxy]-1-phenyl-1H-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ...
著者Ribeiro, J.A, Chavez-Pacheco, S.M, Dias, M.V.B.
登録日2020-02-17
公開日2020-07-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020
8OFR
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BU of 8ofr by Molmil
Human adenovirus type 25 fiber-knob protein complexed with sialic acid
分子名称: Fiber, N-acetyl-beta-neuraminic acid
著者Rizkallah, P.J, Parker, A.L, Mundy, R.M, Baker, A.T.
登録日2023-03-16
公開日2023-09-20
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Broad sialic acid usage amongst species D human adenovirus.
Npj Viruses, 1, 2023
7O4D
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BU of 7o4d by Molmil
QR2 inhibitor from a novel sulfanamide series to tackle age related oxidative stress and cognitive decline
分子名称: 8-methyl-2-(4-methyl-3-piperazin-1-ylsulfonyl-phenyl)imidazo[1,2-a]pyridine, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
著者Gould, N.L, Scherer, G.R, Carvalh, S, Shurrush, K, Edry, E, Elkobi, A, David, O, Dym, O, Albeck, S, Peleg, Y, Germain, N, Babaev, I, Sharir, H, Lefker, B, Subramanyam, C, Barr, H, Rosenblum, K.
登録日2021-04-06
公開日2022-08-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.249 Å)
主引用文献Specific quinone reductase 2 inhibitors reduce metabolic burden and reverse Alzheimer's disease phenotype in mice.
J.Clin.Invest., 133, 2023
8OFS
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BU of 8ofs by Molmil
Human adenovirus type 30 fiber-knob protein complexed with sialic acid
分子名称: Fiber, N-acetyl-beta-neuraminic acid
著者Rizkallah, P.J, Parker, A.L, Mundy, R.M, Baker, A.T.
登録日2023-03-16
公開日2023-09-20
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Broad sialic acid usage amongst species D human adenovirus.
Npj Viruses, 1, 2023
6VS8
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BU of 6vs8 by Molmil
Mycobacterium tuberculosis dihydrofolate reductase in complex with ethyl 2-methyl thiazole-4-carboxylate(fragment 3)
分子名称: COBALT (II) ION, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Ribeiro, J.A, Dias, M.V.B.
登録日2020-02-10
公開日2020-07-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.829 Å)
主引用文献Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020
8SSW
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BU of 8ssw by Molmil
Crystal structure of DEAD-box RNA helicase DDX3X in complex with ADP at pre-unwound state
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ATP-dependent RNA helicase DDX3X, ...
著者Song, H, Ji, X.
登録日2023-05-09
公開日2024-05-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of DEAD-box RNA helicase DDX3X in complex with ADP at pre-unwound state
To be published

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件を2025-10-15に公開中

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