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8G45
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Structure of HDAC6 zinc-finger ubiquitin binding domain in complex with SGC-UBD253 chemical probe
分子名称: 3-[8-chloro-3-(2-{[(2-methoxyphenyl)methyl]amino}-2-oxoethyl)-4-oxo-3,4-dihydroquinazolin-2-yl]propanoic acid, Histone deacetylase 6, ZINC ION
著者Harding, R.J, Franzoni, I, Mann, M.K, Szewczyk, M, Mirabi, B, Owens, D.D.G, Ackloo, S, Scheremetjew, A, Juarez-Ornelas, K.A, Sanichar, R, Baker, R.J, Dank, C, Brown, P.J, Barsyte-Lovejoy, D, Santhakumar, V, Schapira, M, Lautens, M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
登録日2023-02-08
公開日2023-05-03
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Discovery and Characterization of a Chemical Probe Targeting the Zinc-Finger Ubiquitin-Binding Domain of HDAC6.
J.Med.Chem., 66, 2023
8G44
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Structure of HDAC6 zinc-finger ubiquitin binding domain in complex with 3-(3-(2-(benzylamino)-2-oxoethyl)-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid
分子名称: 3-{3-[2-(benzylamino)-2-oxoethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}propanoic acid, Histone deacetylase 6, ZINC ION
著者Harding, R.J, Franzoni, I, Mann, M.K, Szewczyk, M, Mirabi, B, Owens, D.D.G, Ackloo, S, Scheremetjew, A, Juarez-Ornelas, K.A, Sanichar, R, Baker, R.J, Dank, C, Brown, P.J, Barsyte-Lovejoy, D, Santhakumar, V, Schapira, M, Lautens, M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
登録日2023-02-08
公開日2023-05-03
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Discovery and Characterization of a Chemical Probe Targeting the Zinc-Finger Ubiquitin-Binding Domain of HDAC6.
J.Med.Chem., 66, 2023
8G43
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Structure of HDAC6 zinc-finger ubiquitin binding domain in complex with 3-(3-(2-(methylamino)-2-oxoethyl)-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid
分子名称: 3-{3-[2-(methylamino)-2-oxoethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}propanoic acid, Histone deacetylase 6, ZINC ION
著者Harding, R.J, Franzoni, I, Mann, M.K, Szewczyk, M, Mirabi, B, Owens, D.D.G, Ackloo, S, Scheremetjew, A, Juarez-Ornelas, K.A, Sanichar, R, Baker, R.J, Dank, C, Brown, P.J, Barsyte-Lovejoy, D, Santhakumar, V, Schapira, M, Lautens, M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
登録日2023-02-08
公開日2023-05-03
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Discovery and Characterization of a Chemical Probe Targeting the Zinc-Finger Ubiquitin-Binding Domain of HDAC6.
J.Med.Chem., 66, 2023
8G40
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N2 neuraminidase of A/Hong_Kong/2671/2019 in complex with 3 FNI19 Fab molecules
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Dang, H.V, Snell, G.
登録日2023-02-08
公開日2023-05-31
最終更新日2023-06-28
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献A pan-influenza antibody inhibiting neuraminidase via receptor mimicry.
Nature, 618, 2023
8G3Z
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Neuraminidase of B/Massachusetts/02/2012 (Yamagata) in complex with 4 FNI17 Fab molecules
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, FNI17 Fab heavy chain, ...
著者Dang, H.V, Snell, G.
登録日2023-02-08
公開日2023-05-31
最終更新日2023-06-28
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献A pan-influenza antibody inhibiting neuraminidase via receptor mimicry.
Nature, 618, 2023
8G3V
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N2 neuraminidase of A/Hong_Kong/2671/2019 in complex with 4 FNI19 Fab molecules
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Dang, H.V, Snell, G.
登録日2023-02-08
公開日2023-05-31
最終更新日2023-06-28
実験手法ELECTRON MICROSCOPY (2.21 Å)
主引用文献A pan-influenza antibody inhibiting neuraminidase via receptor mimicry.
Nature, 618, 2023
8G3R
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N2 neuraminidase of A/Tanzania/205/2010 H3N2 with S245N S247T mutations in complex with one FNI17 Fab molecule
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Dang, H.V, Snell, G.
登録日2023-02-08
公開日2023-05-31
最終更新日2023-06-28
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献A pan-influenza antibody inhibiting neuraminidase via receptor mimicry.
Nature, 618, 2023
8G3Q
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N2 neuraminidase of A/Tanzania/205/2010 H3N2 in complex with 3 FNI17 Fab molecules
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, FNI17 Fab heavy chain, ...
著者Dang, H.V, Snell, G.
登録日2023-02-08
公開日2023-05-31
最終更新日2023-06-28
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献A pan-influenza antibody inhibiting neuraminidase via receptor mimicry.
Nature, 618, 2023
8G3P
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N2 neuraminidase of A/Hong_Kong/2671/2019 in complex with 4 FNI9 Fab molecules
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Dang, H.V, Snell, G.
登録日2023-02-08
公開日2023-05-31
最終更新日2023-06-28
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献A pan-influenza antibody inhibiting neuraminidase via receptor mimicry.
Nature, 618, 2023
8G3O
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BU of 8g3o by Molmil
N2 neuraminidase of A/Hong_Kong/2671/2019 in complex with 3 FNI9 Fab molecules
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Dang, H.V, Snell, G.
登録日2023-02-08
公開日2023-05-31
最終更新日2023-06-28
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献A pan-influenza antibody inhibiting neuraminidase via receptor mimicry.
Nature, 618, 2023
8G3N
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BU of 8g3n by Molmil
N2 neuraminidase of A/Tanzania/205/2010 H3N2 in complex with 4 FNI9 Fab molecules
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Dang, H, Snell, G.
登録日2023-02-08
公開日2023-05-31
最終更新日2023-06-28
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献A pan-influenza antibody inhibiting neuraminidase via receptor mimicry.
Nature, 618, 2023
8G3M
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BU of 8g3m by Molmil
N2 neuraminidase of A/Tanzania/205/2010 H3N2 in complex with 3 FNI9 Fab molecules
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, FNI9 Fab heavy chain, ...
著者Dang, H.V, Snell, G.
登録日2023-02-08
公開日2023-05-31
最終更新日2023-06-28
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献A pan-influenza antibody inhibiting neuraminidase via receptor mimicry.
Nature, 618, 2023
8G3L
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BU of 8g3l by Molmil
BceAB-S nucleotide free BceS state 2
分子名称: Bacitracin export ATP-binding protein BceA, Bacitracin export permease protein BceB, OLEIC ACID, ...
著者George, N.L, Orlando, B.J.
登録日2023-02-08
公開日2023-06-21
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Architecture of a complete Bce-type antimicrobial peptide resistance module.
Nat Commun, 14, 2023
8G3J
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Non-ribosomal PCP-C didomain R2577G (thioether stabilised glycolic acid) acceptor bound state
分子名称: N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(2-hydroxyethyl)sulfanyl]ethyl}-beta-alaninamide, PCP-C didomain
著者Ho, Y.T.C, Izore, T, Cryle, M.J.
登録日2023-02-08
公開日2023-06-14
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Exploring the selectivity and engineering potential of an NRPS condensation domain involved in the biosynthesis of the thermophilic siderophore fuscachelin
Front Catal, 3, 2023
8G3I
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Non-ribosomal PCP-C didomain (thioether stabilised glycolic acid) acceptor bound state
分子名称: N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(2-hydroxyethyl)sulfanyl]ethyl}-beta-alaninamide, PCP-C didomain
著者Ho, Y.T.C, Izore, T, Cryle, M.J.
登録日2023-02-08
公開日2023-06-14
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.02 Å)
主引用文献Exploring the selectivity and engineering potential of an NRPS condensation domain involved in the biosynthesis of the thermophilic siderophore fuscachelin
Front Catal, 3, 2023
8G3F
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BceAB-S nucleotide free BceS state 1
分子名称: Bacitracin export ATP-binding protein BceA, Bacitracin export permease protein BceB, OLEIC ACID, ...
著者George, N.L, Orlando, B.J.
登録日2023-02-07
公開日2023-06-21
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Architecture of a complete Bce-type antimicrobial peptide resistance module.
Nat Commun, 14, 2023
8G3B
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BceAB-S nucleotide free TM state 2
分子名称: Bacitracin export ATP-binding protein BceA, Bacitracin export permease protein BceB, OLEIC ACID, ...
著者George, N.L, Orlando, B.J.
登録日2023-02-07
公開日2023-06-21
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Architecture of a complete Bce-type antimicrobial peptide resistance module.
Nat Commun, 14, 2023
8G3A
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BceAB-S nucleotide free TM state 1
分子名称: Bacitracin export ATP-binding protein BceA, Bacitracin export permease protein BceB, OLEIC ACID, ...
著者George, N.L, Orlando, B.J.
登録日2023-02-07
公開日2023-06-21
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Architecture of a complete Bce-type antimicrobial peptide resistance module.
Nat Commun, 14, 2023
8G32
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Pro-form of a CDCL short from E. anophelis
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
著者Johnstone, B.A, Christie, M.P, Morton, C.J, Parker, M.W.
登録日2023-02-06
公開日2024-02-07
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Distant relatives of a eukaryotic cell-specific toxin family evolved a complement-like mechanism to kill bacteria.
Nat Commun, 15, 2024
8G30
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N2 neuraminidase of A/Tanzania/205/2010 H3N2 in complex with 4 FNI19 Fab molecules
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, FNI19 Fab heavy chain, ...
著者Dang, H.V, Snell, G.
登録日2023-02-06
公開日2023-05-31
最終更新日2023-06-28
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献A pan-influenza antibody inhibiting neuraminidase via receptor mimicry.
Nature, 618, 2023
8G2W
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BU of 8g2w by Molmil
Cryo-EM structure of 3DVA component 2 of Escherichia coli que-PEC (paused elongation complex) RNA Polymerase minus preQ1 ligand
分子名称: DNA (31-MER), DNA (39-MER), DNA-directed RNA polymerase subunit alpha, ...
著者Porta, J.C, Chauvier, A, Deb, I, Ellinger, E, Frank, A.T, Meze, K, Ohi, M.D, Walter, N.G.
登録日2023-02-06
公開日2023-06-21
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structural basis for control of bacterial RNA polymerase pausing by a riboswitch and its ligand.
Nat.Struct.Mol.Biol., 30, 2023
8G2V
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Cryo-EM structure of recombinant human LECT2 amyloid fibril core
分子名称: Leukocyte cell-derived chemotaxin-2
著者Richards, L.S, Flores, M.D, Zink, S, Schibrowsky, N.A, Sawaya, M.R, Rodriguez, J.A.
登録日2023-02-06
公開日2023-08-16
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (2.715 Å)
主引用文献Cryo-EM structure of a human LECT2 amyloid fibril reveals a network of polar ladders at its core.
Structure, 31, 2023
8G2T
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CRYSTAL STRUCTURE OF THE KPC-2 D179N VARIANT IN COMPLEX WITH RELEBACTAM (IMINE HYDROLYSIS INTERMEDIATE)
分子名称: (2S,5R)-5-amino-1-formyl-5-hydroxy-N-(piperidin-4-yl)piperidine-2-carboxamide, Carbapenem-hydrolyzing beta-lactamase KPC, PHOSPHATE ION
著者Alsenani, T, van den Akker, F.
登録日2023-02-06
公開日2023-08-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Exploring avibactam and relebactam inhibition of Klebsiella pneumoniae carbapenemase D179N variant: role of the Omega loop-held deacylation water.
Antimicrob.Agents Chemother., 67, 2023
8G2R
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CRYSTAL STRUCTURE OF THE KPC-2 D179N VARIANT IN COMPLEX WITH AVIBACTAM
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Carbapenem-hydrolyzing beta-lactamase KPC
著者Alsenani, T, van den Akker, F.
登録日2023-02-06
公開日2023-08-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Exploring avibactam and relebactam inhibition of Klebsiella pneumoniae carbapenemase D179N variant: role of the Omega loop-held deacylation water.
Antimicrob.Agents Chemother., 67, 2023
8G2I
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Crystal Structure of PRMT4 with Compound YD1290
分子名称: 5'-([2-(benzylcarbamamido)ethyl]{3-[N'-(3-bromophenyl)carbamimidamido]propyl}amino)-5'-deoxyadenosine, Histone-arginine methyltransferase CARM1, UNKNOWN ATOM OR ION
著者Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2023-02-03
公開日2024-02-21
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献A unique binding pocket induced by a noncanonical SAH mimic to develop potent and selective PRMT inhibitors.
Acta Pharm Sin B, 13, 2023

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件を2024-07-10に公開中

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