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8CWL
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Cryo-EM structure of Human 15-PGDH in complex with small molecule SW222746
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 15-hydroxyprostaglandin dehydrogenase [NAD(+)], 2-methyl-6-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]isoquinolin-1(2H)-one
著者Huang, W, Taylor, D.J.
登録日2022-05-19
公開日2023-03-08
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Small molecule inhibitors of 15-PGDH exploit a physiologic induced-fit closing system.
Nat Commun, 14, 2023
7USE
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Cryo-EM structure of WAVE regulatory complex with Rac1 bound on both A and D site
分子名称: Abl interactor 2, Cytoplasmic FMR1-interacting protein 1, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Ding, B, Yang, S, Chen, B, Chowdhury, S.
登録日2022-04-25
公開日2022-09-21
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structures reveal a key mechanism of WAVE regulatory complex activation by Rac1 GTPase.
Nat Commun, 13, 2022
7USC
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BU of 7usc by Molmil
Cryo-EM structure of WAVE Regulatory Complex
分子名称: Abl interactor 2, Cytoplasmic FMR1-interacting protein 1, Nck-associated protein 1, ...
著者Ding, B, Yang, S, Chen, B, Chowdhury, S.
登録日2022-04-25
公開日2022-09-21
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structures reveal a key mechanism of WAVE regulatory complex activation by Rac1 GTPase.
Nat Commun, 13, 2022
7USD
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BU of 7usd by Molmil
Cryo-EM structure of D-site Rac1-bound WAVE Regulatory Complex
分子名称: Abl interactor 2, Cytoplasmic FMR1-interacting protein 1, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Ding, B, Yang, S, Chen, B, Chowdhury, S.
登録日2022-04-25
公開日2022-09-21
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structures reveal a key mechanism of WAVE regulatory complex activation by Rac1 GTPase.
Nat Commun, 13, 2022
7MU6
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Ask1 bound to compound 28
分子名称: 2-methoxy-N-(6-{4-[(2S)-1,1,1-trifluoropropan-2-yl]-4H-1,2,4-triazol-3-yl}pyridin-2-yl)pyridine-3-carboxamide, Mitogen-activated protein kinase kinase kinase 5
著者Chodaparambil, J.V, Marcotte, D.J.
登録日2021-05-14
公開日2024-07-17
実験手法X-RAY DIFFRACTION (2.165 Å)
主引用文献Discovery of Potent, Selective, and Brain-Penetrant Apoptosis Signal-Regulating Kinase 1 (ASK1) Inhibitors that Modulate Brain Inflammation In Vivo.
J.Med.Chem., 64, 2021
8E9B
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Cryo-EM structure of S. pombe Arp2/3 complex in the branch junction
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin, ...
著者Chou, S.Z, Pollard, T.P.
登録日2022-08-26
公開日2023-02-01
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Mechanism of actin filament branch formation by Arp2/3 complex revealed by a high-resolution cryo-EM structureof the branch junction.
Proc.Natl.Acad.Sci.USA, 119, 2022
7U6L
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Pseudooxynicotine amine oxidase
分子名称: Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE
著者Choudhary, V, Stull, F, Wu, K.
登録日2022-03-04
公開日2022-07-20
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The enzyme pseudooxynicotine amine oxidase from Pseudomonas putida S16 is not an oxidase, but a dehydrogenase.
J.Biol.Chem., 298, 2022
6AU2
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Crystal structure of SETDB1 Tudor domain with aryl triazole fragments
分子名称: 1,2-ETHANEDIOL, 1-methyl-4H,6H-[1,2,4]triazolo[4,3-a][4,1]benzoxazepine, BETA-MERCAPTOETHANOL, ...
著者MADER, P, Mendoza-Sanchez, R, IQBAL, A, DONG, A, DOBROVETSKY, E, CORLESS, V.B, LIEW, S.K, TEMPEL, W, SMIL, D, DELA SENA, C.C, KENNEDY, S, DIAZ, D, HOLOWNIA, A, VEDADI, M, BROWN, P.J, SANTHAKUMAR, V, Bountra, C, Edwards, A.M, YUDIN, A.K, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
登録日2017-08-30
公開日2017-10-11
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Identification and characterization of the first fragment hits for SETDB1 Tudor domain.
Bioorg.Med.Chem., 27, 2019
8OJ0
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60S ribosomal subunit bound to the E3-UFM1 complex - state 2 (native)
分子名称: 28S rRNA, 5.8S rRNA, 5S rRNA, ...
著者Penchev, I, DaRosa, P.A, Becker, T, Beckmann, R, Kopito, R.
登録日2023-03-23
公開日2024-02-21
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献UFM1 E3 ligase promotes recycling of 60S ribosomal subunits from the ER.
Nature, 627, 2024
6SA1
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Post catalytic complex of Prim-PolC from Mycobacterium smegmatis with gapped DNA and 3'-dUTP
分子名称: 1,2-ETHANEDIOL, 3'-DEOXY-URIDINE 5'-TRIPHOSPHATE, DNA (5'-D(*CP*GP*CP*TP*CP*GP*CP*AP*AP*CP*GP*CP*A)-3'), ...
著者Brissett, N.C, Doherty, A.J.
登録日2019-07-15
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Molecular basis for DNA repair synthesis on short gaps by mycobacterial Primase-Polymerase C.
Nat Commun, 11, 2020
7NB4
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Structure of Mcl-1 complex with compound 1
分子名称: (2~{R})-2-[[5-(3-chloranyl-2-methyl-phenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, Induced myeloid leukemia cell differentiation protein Mcl-1, ...
著者Dokurno, P, Surgenor, A.E, Kotschy, A.
登録日2021-01-25
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Effect of Core Replacement on S64315, a Selective MCL-1 Inhibitor, and Its Analogues.
Acs Omega, 6, 2021
7NB7
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Structure of Mcl-1 complex with compound 6b
分子名称: (2~{R})-2-[[7-but-2-ynyl-5-(3-chloranyl-2-methyl-phenyl)-6-ethyl-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Dokurno, P, Surgenor, A.E, Kotschy, A.
登録日2021-01-25
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献The Effect of Core Replacement on S64315, a Selective MCL-1 Inhibitor, and Its Analogues.
Acs Omega, 6, 2021
5JCT
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Crystal Structure of Human Pirin in complex with a Chemical Probe pyrrolidine 24
分子名称: DIMETHYL SULFOXIDE, FE (III) ION, GLYCEROL, ...
著者Ali, S, van Montfort, R.
登録日2016-04-15
公開日2017-01-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Discovery of a Chemical Probe Bisamide (CCT251236): An Orally Bioavailable Efficacious Pirin Ligand from a Heat Shock Transcription Factor 1 (HSF1) Phenotypic Screen.
J. Med. Chem., 60, 2017
8OJ5
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BU of 8oj5 by Molmil
60S ribosomal subunit bound to the E3-UFM1 complex - state 3 (in-vitro reconstitution)
分子名称: 28S rRNA, 5.8S rRNA, 5S rRNA, ...
著者Penchev, I, DaRosa, P.A, Peter, J.J, Kulathu, Y, Becker, T, Beckmann, R, Kopito, R.
登録日2023-03-23
公開日2024-02-21
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献UFM1 E3 ligase promotes recycling of 60S ribosomal subunits from the ER.
Nature, 627, 2024
8OHD
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BU of 8ohd by Molmil
60S ribosomal subunit bound to the E3-UFM1 complex - state 3 (native)
分子名称: 28S rRNA, 5.8S rRNA, 5S rRNA, ...
著者Penchev, I, DaRosa, P.A, Becker, T, Beckmann, R, Kopito, R.
登録日2023-03-21
公開日2024-02-21
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献UFM1 E3 ligase promotes recycling of 60S ribosomal subunits from the ER.
Nature, 627, 2024
8OJ8
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60S ribosomal subunit bound to the E3-UFM1 complex - state 1 (native)
分子名称: 28S rRNA, 5.8S rRNA, 5S rRNA, ...
著者Penchev, I, DaRosa, P.A, Becker, T, Beckmann, R, Kopito, R.
登録日2023-03-24
公開日2024-02-21
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献UFM1 E3 ligase promotes recycling of 60S ribosomal subunits from the ER.
Nature, 627, 2024
5ELX
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BU of 5elx by Molmil
S. cerevisiae Dbp5 bound to RNA and mant-ADP BeF3
分子名称: ATP-dependent RNA helicase DBP5, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ...
著者Merchant, M.K, Modis, Y.
登録日2015-11-05
公開日2016-02-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Pi Release Limits the Intrinsic and RNA-Stimulated ATPase Cycles of DEAD-Box Protein 5 (Dbp5).
J.Mol.Biol., 428, 2016
6SA0
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Ternary complex of Prim-PolC from Mycobacterium smegmatis with 2nt gapped DNA and UpNHpp
分子名称: 1,2-ETHANEDIOL, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine, CACODYLATE ION, ...
著者Brissett, N.C, Doherty, A.J.
登録日2019-07-15
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.209 Å)
主引用文献Molecular basis for DNA repair synthesis on short gaps by mycobacterial Primase-Polymerase C.
Nat Commun, 11, 2020
5JOG
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CRYSTAL STRUCTURE OF CSN5(2-257) IN COMPLEX WITH CNS5i-3
分子名称: 3-(difluoromethyl)-N-{6-[(5S,6S)-6-hydroxy-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-5-yl][1,1'-biphenyl]-3-yl}-1-(propan-2-yl)-1H-pyrazole-5-carboxamide, COP9 signalosome complex subunit 5, ZINC ION
著者Renatus, M, Wiesmann, C.
登録日2016-05-02
公開日2016-11-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Targeted inhibition of the COP9 signalosome for treatment of cancer.
Nat Commun, 7, 2016
5BSK
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Human HGPRT in complex with (S)-HPEPG, an acyclic nucleoside phosphonate
分子名称: (2-{[(2S)-1-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3-hydroxypropan-2-yl]oxy}ethyl)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION
著者Keough, D.T, Guddat, L.W, Kaiser, M.M, Hockova, D, Wang, T.-H, Janeba, Z.
登録日2015-06-02
公開日2015-09-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Synthesis and Evaluation of Novel Acyclic Nucleoside Phosphonates as Inhibitors of Plasmodium falciparum and Human 6-Oxopurine Phosphoribosyltransferases.
Chemmedchem, 10, 2015
5BRN
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Human HGPRT in complex with (S)-HPEPHx, an acyclic nucleoside phosphonate
分子名称: (2-{[(2S)-1-hydroxy-3-(6-oxo-1,6-dihydro-9H-purin-9-yl)propan-2-yl]oxy}ethyl)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION
著者Keough, D.T, Guddat, L.W, Kaiser, M.M, Hockova, D, Wang, T.-H, Janeba, Z.
登録日2015-05-31
公開日2015-10-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Synthesis and Evaluation of Novel Acyclic Nucleoside Phosphonates as Inhibitors of Plasmodium falciparum and Human 6-Oxopurine Phosphoribosyltransferases.
Chemmedchem, 10, 2015
6AQ1
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The crystal structure of human FABP3
分子名称: Fatty acid-binding protein, heart, PALMITIC ACID, ...
著者Hsu, H.C, Li, H.
登録日2017-08-18
公開日2018-06-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.40000093 Å)
主引用文献SAR studies on truxillic acid mono esters as a new class of antinociceptive agents targeting fatty acid binding proteins.
Eur J Med Chem, 154, 2018
8FD8
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human 15-PGDH with NADH bound
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 15-hydroxyprostaglandin dehydrogenase [NAD(+)]
著者Huang, W, Taylor, D.
登録日2022-12-02
公開日2023-03-08
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Small molecule inhibitors of 15-PGDH exploit a physiologic induced-fit closing system.
Nat Commun, 14, 2023
6FI8
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Crystal structure of the IS608 transposase in complex with left end 29-mer DNA hairpin and a 6-mer DNA representing the intact target site: pre-cleavage target capture complex
分子名称: CALCIUM ION, DNA 29-MER (LE29), DNA 6-MER (T6'), ...
著者Morero, N.R, Barabas, O.
登録日2018-01-17
公開日2018-03-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.598 Å)
主引用文献Targeting IS608 transposon integration to highly specific sequences by structure-based transposon engineering.
Nucleic Acids Res., 46, 2018
7JYV
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Crystal Structure of HLA A*2402 in complex with YFSPIRVTF, an 9-mer influenza epitope
分子名称: Beta-2-microglobulin, MAGNESIUM ION, MHC class I antigen, ...
著者Gras, S, Nguyen, A.T, Szeto, C, Rossjohn, J.
登録日2020-09-01
公開日2021-04-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献CD8 + T cell landscape in Indigenous and non-Indigenous people restricted by influenza mortality-associated HLA-A*24:02 allomorph.
Nat Commun, 12, 2021

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