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7CGY
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BU of 7cgy by Molmil
Human DMC1 Q244M mutant of the post-synaptic complexes
分子名称: CALCIUM ION, Meiotic recombination protein DMC1/LIM15 homolog, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Chi, H.Y, Ho, M.C, Tsai, M.D, Luo, S.C, Yeh, H.Y.
登録日2020-07-03
公開日2020-11-18
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Identification of fidelity-governing factors in human recombinases DMC1 and RAD51 from cryo-EM structures.
Nat Commun, 12, 2021
7C9A
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BU of 7c9a by Molmil
Human RAD51 post-synaptic complexes mutant (V273P, D274G)
分子名称: CALCIUM ION, DNA (5'-D(P*AP*AP*AP*AP*AP*AP*AP*AP*A)-3'), DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), ...
著者Chi, H.Y, Ho, M.C, Tsai, M.D, Luo, S.C, Yeh, H.Y.
登録日2020-06-05
公開日2020-11-18
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.43 Å)
主引用文献Identification of fidelity-governing factors in human recombinases DMC1 and RAD51 from cryo-EM structures.
Nat Commun, 12, 2021
8GYK
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BU of 8gyk by Molmil
CryoEM structure of the RAD51_ADP filament
分子名称: ADENOSINE-5'-DIPHOSPHATE, DNA repair protein RAD51 homolog 1, MAGNESIUM ION
著者Miki, Y, Luo, S.C, Ho, M.C.
登録日2022-09-22
公開日2023-08-30
実験手法ELECTRON MICROSCOPY (3.14 Å)
主引用文献A RAD51-ADP double filament structure unveils the mechanism of filament dynamics in homologous recombination.
Nat Commun, 14, 2023
7C83
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BU of 7c83 by Molmil
Crystal structure of an integral membrane steroid 5-alpha-reductase PbSRD5A
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-oxo-5-alpha-steroid 4-dehydrogenase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Ren, R.B, Han, Y.F, Xiao, Q.J, Deng, D.
登録日2020-05-28
公開日2021-01-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of steroid reductase SRD5A reveals conserved steroid reduction mechanism.
Nat Commun, 12, 2021
7RL1
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AAVrh.10-7x capsid
分子名称: Capsid protein VP1, DNA (5'-D(*CP*A)-3')
著者Mietzsch, M, McKenna, R.
登録日2021-07-23
公開日2021-09-08
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.71 Å)
主引用文献Structural Study of Aavrh.10 Receptor and Antibody Interactions.
J.Virol., 95, 2021
4EQE
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BU of 4eqe by Molmil
Crystal structure of histidine triad nucleotide-binding protein 1 (HINT1) from human complexed with Lys-AMS
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-O-[(L-LYSYLAMINO)SULFONYL]ADENOSINE, Histidine triad nucleotide-binding protein 1
著者Wang, J, Fang, P, Guo, M.
登録日2012-04-18
公開日2012-05-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Side chain independent recognition of aminoacyl adenylates by the hint1 transcription suppressor.
J.Phys.Chem.B, 116, 2012
4EQH
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Crystal structure of histidine triad nucleotide-binding protein 1 (HINT1) from human complexed with Trp-AMS
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-O-[(L-TRYPTOPHYLAMINO)SULFONYL]ADENOSINE, Histidine triad nucleotide-binding protein 1
著者Wang, J, Fang, P, Guo, M.
登録日2012-04-18
公開日2012-05-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.668 Å)
主引用文献Side chain independent recognition of aminoacyl adenylates by the hint1 transcription suppressor.
J.Phys.Chem.B, 116, 2012
9CGM
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BU of 9cgm by Molmil
The Structure of Spiroplasma Virus 4
分子名称: Capsid protein VP1, DNA binding protein ORF8
著者Mietzsch, M, McKenna, R.
登録日2024-06-30
公開日2024-07-17
実験手法ELECTRON MICROSCOPY (2.52 Å)
主引用文献The Structure of Spiroplasma Virus 4: Exploring the Capsid Diversity of the Microviridae
Viruses, 2024
6KSW
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BU of 6ksw by Molmil
Cryo-EM structure of the human concentrative nucleoside transporter CNT3
分子名称: Solute carrier family 28 member 3
著者Zhou, Y.X, Liao, L.H, Li, J.L, Xiao, Q.J, Sun, L.F, Deng, D.
登録日2019-08-26
公開日2020-08-26
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Cryo-EM structure of the human concentrative nucleoside transporter CNT3.
Plos Biol., 18, 2020
6TM8
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Crystal structure of glycoprotein D of Equine Herpesvirus Type 4
分子名称: Envelope glycoprotein D, GLYCEROL
著者Kremling, V, Loll, B, Osterrieder, N, Wahl, M, Dahmani, I, Chiantia, P, Azab, W.
登録日2019-12-03
公開日2020-11-11
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of glycoprotein D of equine alphaherpesviruses reveal potential binding sites to the entry receptor MHC-I.
Front Microbiol, 14, 2023
5W6M
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BU of 5w6m by Molmil
Crystal structure of the human histidyl-tRNA synthetase mutant D175E
分子名称: Histidine--tRNA ligase, cytoplasmic
著者Blocquel, D, Yang, X.L.
登録日2017-06-16
公開日2018-06-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.696 Å)
主引用文献CMT disease severity correlates with mutation-induced open conformation of histidyl-tRNA synthetase, not aminoacylation loss, in patient cells.
Proc.Natl.Acad.Sci.USA, 2019
6DZH
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BU of 6dzh by Molmil
HRAS G13D bound to GDP (H13GDP)
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CALCIUM ION, GLYCEROL, ...
著者Johnson, C.W, Mattos, C.
登録日2018-07-04
公開日2019-07-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Isoform-Specific Destabilization of the Active Site Reveals a Molecular Mechanism of Intrinsic Activation of KRas G13D.
Cell Rep, 28, 2019
2PMF
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BU of 2pmf by Molmil
The crystal structure of a human glycyl-tRNA synthetase mutant
分子名称: CHLORIDE ION, GLYCEROL, Glycyl-tRNA synthetase
著者Xie, W.
登録日2007-04-21
公開日2007-05-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Long-range structural effects of a Charcot-Marie- Tooth disease-causing mutation in human glycyl-tRNA synthetase.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2PME
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BU of 2pme by Molmil
The Apo crystal Structure of the glycyl-tRNA synthetase
分子名称: Glycyl-tRNA synthetase
著者Xie, W.
登録日2007-04-21
公開日2007-05-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Long-range structural effects of a Charcot-Marie- Tooth disease-causing mutation in human glycyl-tRNA synthetase.
Proc.Natl.Acad.Sci.Usa, 104, 2007
3SWD
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BU of 3swd by Molmil
E. coli MurA in complex with UDP-N-acetylmuramic acid and covalent adduct of PEP with Cys115
分子名称: (2R)-2-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoic acid, UDP-N-acetylglucosamine 1-carboxyvinyltransferase
著者Zhu, J.-Y, Schonbrunn, E.
登録日2011-07-13
公開日2012-03-14
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Functional Consequence of Covalent Reaction of Phosphoenolpyruvate with UDP-N-acetylglucosamine 1-Carboxyvinyltransferase (MurA).
J.Biol.Chem., 287, 2012
8E23
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BU of 8e23 by Molmil
Human DNA polymerase theta in complex with allosteric inhibitor
分子名称: 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*CP*GP*TP*CP*CP*AP*AP*TP*GP*AP*CP*AP*GP*CP*CP*GP*C)-3'), DNA (5'-D(*GP*C*GP*GP*CP*TP*GP*TP*CP*AP*TP*TP*G)-3'), ...
著者Mader, P, Pau, V.P.T, Sicheri, F.
登録日2022-08-13
公開日2022-09-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Identification of RP-6685 , an Orally Bioavailable Compound that Inhibits the DNA Polymerase Activity of Pol theta.
J.Med.Chem., 65, 2022
8E24
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Human DNA polymerase theta in complex with allosteric inhibitor
分子名称: 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, 2-[2,4-bis(trifluoromethyl)phenyl]-N-phenyl-N-[3-(pyridazin-3-yl)prop-2-yn-1-yl]acetamide, DNA, ...
著者Mader, P, Pau, V.P.T, Sicheri, F.
登録日2022-08-13
公開日2022-09-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Identification of RP-6685 , an Orally Bioavailable Compound that Inhibits the DNA Polymerase Activity of Pol theta.
J.Med.Chem., 65, 2022
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
4XRY
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BU of 4xry by Molmil
Human Cytochrome P450 2D6 BACE1 Inhibitor 5 Complex
分子名称: (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1-methyl-1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine, Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Johnson, E.F, Fan, Y.
登録日2015-01-21
公開日2015-05-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Utilizing Structures of CYP2D6 and BACE1 Complexes To Reduce Risk of Drug-Drug Interactions with a Novel Series of Centrally Efficacious BACE1 Inhibitors.
J.Med.Chem., 58, 2015
8ERK
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Acheta domesticus segmented densovirus, high buoyancy (HB) capsid, a mixed population of empty and immature full particles
分子名称: Acheta domesticus segmented densovirus major capsid protein
著者Penzes, J.J, McKenna, R, Tijssen, P.
登録日2022-10-12
公開日2022-11-09
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Bipartite genome and structural organization of the parvovirus Acheta domesticus segmented densovirus.
Nat Commun, 14, 2023
8EU6
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Acheta domesticus segmented densovirus high buoyancy fraction 1 (HB1) empty capsid structure
分子名称: Capsid protein
著者Penzes, J.J, McKenna, R, Tijssen, P.
登録日2022-10-18
公開日2022-11-09
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Bipartite genome and structural organization of the parvovirus Acheta domesticus segmented densovirus.
Nat Commun, 14, 2023
8ER8
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Acheta domesticus segmented densovirus, mature virion capsid structure
分子名称: Acheta domesticus segmented densovirus major capsid protein, DNA (5'-D(P*AP*AP*TP*AP*A)-3')
著者Penzes, J.J, McKenna, R, Tijssen, P.
登録日2022-10-11
公開日2022-11-09
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献Bipartite genome and structural organization of the parvovirus Acheta domesticus segmented densovirus.
Nat Commun, 14, 2023
8EU7
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Acheta domesticus segmented densovirus VP-ORF1 virus-like particle
分子名称: Capsid protein
著者Penzes, J.J, McKenna, R, Tijssen, P.
登録日2022-10-18
公開日2022-11-09
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Bipartite genome and structural organization of the parvovirus Acheta domesticus segmented densovirus.
Nat Commun, 14, 2023
8EU5
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Acheta domesticus segmented densovirus high buoyancy fraction 2 empty capsid structure
分子名称: Capsid protein
著者Penzes, J.J, McKenna, R, Tijssen, P.
登録日2022-10-18
公開日2022-11-09
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural and molecular biology of Acheta domesticus segmented densovirus, the first parvovirus to harbor a bipartite genome
To Be Published
4XRZ
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Human Cytochrome P450 2D6 BACE1 Inhibitor 6 Complex
分子名称: (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine, Cytochrome P450 2D6, GLYCEROL, ...
著者Johnson, E.F, Fan, Y.
登録日2015-01-21
公開日2015-05-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Utilizing Structures of CYP2D6 and BACE1 Complexes To Reduce Risk of Drug-Drug Interactions with a Novel Series of Centrally Efficacious BACE1 Inhibitors.
J.Med.Chem., 58, 2015

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件を2024-07-31に公開中

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