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7ZBB
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HaloTag with TRaQ-G-ctrl ligand
分子名称: (E)-[7-azanyl-10-[2-carboxy-5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]phenyl]-5,5-dimethyl-benzo[b][1]benzosilin-3-ylidene]-methyl-azanium, CHLORIDE ION, GLYCEROL, ...
著者Emmert, S, Rivera-Fuentes, P, Pojer, F, Lau, K.
登録日2022-03-23
公開日2023-02-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献A locally activatable sensor for robust quantification of organellar glutathione.
Nat.Chem., 15, 2023
7ZBA
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HaloTag with Me-TRaQ-G ligand
分子名称: 4-(7-azanyl-5,5-dimethyl-3-methylimino-benzo[b][1]benzosilin-10-yl)-N-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-3-methyl-benzamide, CHLORIDE ION, GLYCEROL, ...
著者Emmert, S, Rivera-Fuentes, P, Pojer, F, Lau, K.
登録日2022-03-23
公開日2023-02-01
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献A locally activatable sensor for robust quantification of organellar glutathione.
Nat.Chem., 15, 2023
6X5M
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BU of 6x5m by Molmil
Crystal structure of a stabilized PAN ENE bimolecular triplex with a GC-clamped polyA tail, in complex with Fab-BL-3,6.
分子名称: Heavy chain Fab Bl-3 6, Light chain Fab BL-3 6, SULFATE ION, ...
著者Swain, M, Li, M, Wlodawer, A, Le Grice, S.F.J.
登録日2020-05-26
公開日2020-06-24
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Dynamic bulge nucleotides in the KSHV PAN ENE triple helix provide a unique binding platform for small molecule ligands.
Nucleic Acids Res., 49, 2021
6X0N
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BU of 6x0n by Molmil
Bridging of double-strand DNA break activates PARP2/HPF1 to modify chromatin
分子名称: DNA (167-MER), Histone H2A, Histone H2B 1.1, ...
著者Halic, M, Bilokapic, S.
登録日2020-05-16
公開日2020-09-16
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (10 Å)
主引用文献Bridging of DNA breaks activates PARP2-HPF1 to modify chromatin.
Nature, 585, 2020
2PY5
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BU of 2py5 by Molmil
Phi29 DNA polymerase complexed with single-stranded DNA
分子名称: 1,2-ETHANEDIOL, 5'-d(GGACTTT)-3', DNA polymerase
著者Berman, A.J, Kamtekar, S, Goodman, J.L, Lazaro, J.M, de Vega, M, Blanco, L, Salas, M, Steitz, T.A.
登録日2007-05-15
公開日2007-07-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structures of phi29 DNA polymerase complexed with substrate: the mechanism of translocation in B-family polymerases
Embo J., 26, 2007
8GXL
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BU of 8gxl by Molmil
HUMAN SUGP1 433-577
分子名称: SURP and G-patch domain-containing protein 1
著者Xu, K, Tong, L.
登録日2022-09-20
公開日2022-12-14
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献DHX15 is involved in SUGP1-mediated RNA missplicing by mutant SF3B1 in cancer.
Proc.Natl.Acad.Sci.USA, 119, 2022
6WTQ
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BU of 6wtq by Molmil
Human JAK2 JH1 domain in complex with PROTAC-intermediate linker handle 4
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-methyl-4-{[4-(1-propyl-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino}benzamide, ...
著者Yu, S, Nithianantham, S, Fischer, M.
登録日2020-05-03
公開日2021-05-05
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.79968476 Å)
主引用文献Degradation of Janus kinases in CRLF2-rearranged acute lymphoblastic leukemia.
Blood, 138, 2021
8GXM
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BU of 8gxm by Molmil
HUMAN SUGP1 433-586
分子名称: SURP and G-patch domain-containing protein 1
著者Xu, K, Tong, L.
登録日2022-09-20
公開日2022-12-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献DHX15 is involved in SUGP1-mediated RNA missplicing by mutant SF3B1 in cancer.
Proc.Natl.Acad.Sci.USA, 119, 2022
6ZM2
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BU of 6zm2 by Molmil
Crystal structure of the DEAH-box ATPase Prp2 in complex with ADP-BeF3 and ssRNA
分子名称: 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, ...
著者Hamann, F, Ficner, R.
登録日2020-07-01
公開日2021-04-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The structure of Prp2 bound to RNA and ADP-BeF 3 - reveals structural features important for RNA unwinding by DEAH-box ATPases.
Acta Crystallogr D Struct Biol, 77, 2021
8CDM
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BU of 8cdm by Molmil
Plasmodium falciparum Myosin A full-length, post-rigor state complexed to the inhibitor KNX-002
分子名称: 1,2-ETHANEDIOL, 1-(4-methoxyphenyl)-~{N}-[(3-thiophen-2-yl-1~{H}-pyrazol-4-yl)methyl]cyclopropan-1-amine, Myosin A tail domain interacting protein, ...
著者Moussaoui, D, Robblee, J.P, Robert-Paganin, J, Auguin, D, Fisher, F, Fagnant, P.M, MacFarlane, J.E, Mueller-Dieckmann, C, Baum, J, Trybus, K.M, Houdusse, A.
登録日2023-01-31
公開日2024-02-21
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Mechanism of small molecule inhibition of Plasmodium falciparum myosin A informs antimalarial drug design.
Nat Commun, 14, 2023
6XF2
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BU of 6xf2 by Molmil
Nesprin-1G (aa2070-2200)-FHOD1(aa1-339) complex, H. sapiens
分子名称: FH1/FH2 domain-containing protein 1, Nesprin-1
著者Lim, S.M, Schwartz, T.U.
登録日2020-06-15
公開日2021-02-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (7.11 Å)
主引用文献Structures of FHOD1-Nesprin1/2 complexes reveal alternate binding modes for the FH3 domain of formins.
Structure, 29, 2021
8EWC
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BU of 8ewc by Molmil
Hypopseudouridylated yeast 80S bound with Taura syndrome virus (TSV) internal ribosome entry site (IRES), Structure II
分子名称: 18S rRNA, 25S rRNA, 40S ribosomal protein S0-A, ...
著者Zhao, Y, Rai, J, Li, H.
登録日2022-10-22
公開日2023-09-06
実験手法ELECTRON MICROSCOPY (2.45 Å)
主引用文献Regulation of translation by ribosomal RNA pseudouridylation.
Sci Adv, 9, 2023
7A0H
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BU of 7a0h by Molmil
Structure of homodimeric actin capping protein alpha subunit from Plasmodium berghei
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BROMIDE ION, F-actin-capping protein subunit alpha, ...
著者Bendes, A.A, Kursula, P, Kursula, I.
登録日2020-08-09
公開日2021-08-18
最終更新日2022-02-23
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Structure and function of an atypical homodimeric actin capping protein from the malaria parasite.
Cell.Mol.Life Sci., 79, 2022
8EVT
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BU of 8evt by Molmil
Hypopseudouridylated yeast 80S bound with Taura syndrome virus (TSV) internal ribosome entry site (IRES) refined against a composite map
分子名称: 18S rRNA, 25S rRNA, 40S ribosomal protein S0-A, ...
著者Zhao, Y, Rai, J, Li, H.
登録日2022-10-20
公開日2023-09-06
最終更新日2023-11-01
実験手法ELECTRON MICROSCOPY (2.2 Å)
主引用文献Regulation of translation by ribosomal RNA pseudouridylation.
Sci Adv, 9, 2023
2QRO
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BU of 2qro by Molmil
Human Deoxycytidine kinase dAMP, UDP, Mg ion product complex
分子名称: 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, Deoxycytidine kinase, MAGNESIUM ION, ...
著者Ealick, S.E, Soriano, E.V.
登録日2007-07-28
公開日2007-12-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.45 Å)
主引用文献Structures of human deoxycytidine kinase product complexes.
Acta Crystallogr.,Sect.D, 63, 2007
8D7F
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BU of 8d7f by Molmil
FlvF from Aspergillus flavus in complex with Bis-Tris
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Terpene cyclase flvF
著者Tararina, M.A, Christianson, D.W.
登録日2022-06-07
公開日2022-09-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Structure of the Repurposed Fungal Terpene Cyclase FlvF Implicated in the C-N Bond-Forming Reaction of Flavunoidine Biosynthesis.
Biochemistry, 61, 2022
2QG6
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BU of 2qg6 by Molmil
Crystal structure of human nicotinamide riboside kinase (NRK1) in complex with nicotinamide mononucleotide (NMN)
分子名称: BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, Nicotinamide riboside kinase 1, PHOSPHATE ION
著者Khan, J.A, Xiang, S, Tong, L.
登録日2007-06-28
公開日2007-10-02
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of human nicotinamide riboside kinase
Structure, 15, 2007
6X9I
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BU of 6x9i by Molmil
Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*GP*AP*GP*GP*CP*(5CM)P*GP*CP*CP*TP*GP*C)-3'), DNA (5'-D(*GP*CP*AP*GP*G)-R(P*(PYO))-D(P*GP*GP*CP*CP*TP*C)-3'), ...
著者Pathuri, S, Horton, J.R, Cheng, X.
登録日2020-06-02
公開日2021-07-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of a first-in-class reversible DNMT1-selective inhibitor with improved tolerability and efficacy in acute myeloid leukemia.
Nat Cancer, 2, 2021
6X9K
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Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3685032A
分子名称: (2R)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]sulfanyl}-2-phenylacetamide, 1,2-ETHANEDIOL, DNA (5'-D(*GP*AP*GP*GP*CP*(5CM)P*GP*CP*CP*TP*GP*C)-3'), ...
著者Pathuri, S, Horton, J.R, Cheng, X.
登録日2020-06-02
公開日2021-07-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Discovery of a first-in-class reversible DNMT1-selective inhibitor with improved tolerability and efficacy in acute myeloid leukemia.
Nat Cancer, 2, 2021
6X9J
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BU of 6x9j by Molmil
Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3830052
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*GP*AP*GP*GP*CP*(5CM)P*GP*CP*CP*TP*GP*C)-3'), DNA (5'-D(*GP*CP*AP*GP*G)-R(P*(PYO))-D(P*GP*GP*CP*CP*TP*C)-3'), ...
著者Pathuri, S, Horton, J.R, Cheng, X.
登録日2020-06-02
公開日2021-07-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Discovery of a first-in-class reversible DNMT1-selective inhibitor with improved tolerability and efficacy in acute myeloid leukemia.
Nat Cancer, 2, 2021
7AO9
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BU of 7ao9 by Molmil
Structure of the core MTA1/HDAC1/MBD2 NURD deacetylase complex
分子名称: Histone deacetylase 1, INOSITOL HEXAKISPHOSPHATE, Metastasis-associated protein MTA1, ...
著者Millard, C.J, Fairall, L, Ragan, T.J, Savva, C.G, Schwabe, J.W.R.
登録日2020-10-14
公開日2020-11-11
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (6.1 Å)
主引用文献The topology of chromatin-binding domains in the NuRD deacetylase complex.
Nucleic Acids Res., 48, 2020
8VPI
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BU of 8vpi by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Containing Quinoline-based SGI-1027 Analog 462
分子名称: DNA Strand I, DNA Strand II, N-{3-[(2-amino-6-methylpyrimidin-4-yl)amino]-5-[(4-methylpiperazin-1-yl)methyl]phenyl}-3-[(quinolin-4-yl)amino]benzamide, ...
著者Zhou, J, Horton, J.R, Cheng, X.
登録日2024-01-16
公開日2024-09-25
最終更新日2024-10-02
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Quinoline-based compounds can inhibit diverse enzymes that act on DNA.
Biorxiv, 2024
8VPG
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CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Containing Quinoline-based SGI-1027 Analog 455
分子名称: DNA Strand I, DNA Strand II, N-{3-[(2-amino-6-methylpyrimidin-4-yl)amino]-5-[(dimethylamino)methyl]phenyl}-3-[(quinolin-4-yl)amino]benzamide, ...
著者Zhou, J, Horton, J.R, Cheng, X.
登録日2024-01-16
公開日2024-09-25
最終更新日2024-10-02
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Quinoline-based compounds can inhibit diverse enzymes that act on DNA.
Biorxiv, 2024
8VPH
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BU of 8vph by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Containing Quinoline-based SGI-1027 Analog 455 and Inhibitor MC4741
分子名称: DNA Strand I, DNA Strand II, N-(3-phenylpropyl)adenosine, ...
著者Zhou, J, Horton, J.R, Cheng, X.
登録日2024-01-16
公開日2024-09-25
最終更新日2024-10-02
実験手法X-RAY DIFFRACTION (3.18 Å)
主引用文献Quinoline-based compounds can inhibit diverse enzymes that act on DNA.
Biorxiv, 2024
1PEO
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BU of 1peo by Molmil
Ribonucleotide Reductase Protein R1E from Salmonella typhimurium
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Ribonucleoside-diphosphate reductase 2 alpha chain
著者Uppsten, M, Farnegardh, M, Jordan, A, Eliasson, R, Eklund, H, Uhlin, U.
登録日2003-05-22
公開日2004-05-25
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of the large subunit of class Ib ribonucleotide reductase from Salmonella typhimurium and its complexes with allosteric effectors.
J.Mol.Biol., 330, 2003

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