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4UYN
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BU of 4uyn by Molmil
SAR156497 an exquisitely selective inhibitor of Aurora kinases
分子名称: AURORA KINASE A, ethyl (9S)-9-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-8-hydroxy-5,6,7,9-tetrahydro-2H-pyrrolo[3,4-b]quinoline-3-carboxylate
著者Carry, J.C, Clerc, F, Minoux, H, Schio, L, Mauger, J, Nair, A, Parmantier, E, Lemoigne, R, Delorme, C, Nicolas, J.P, Krick, A, Abecassis, P.Y, Crocq-Stuerga, V, Pouzieux, S, Delarbre, L, Maignan, S, Bertrand, T, Bjergarde, K, Ma, N, Lachaud, S, Guizani, H, Lebel, R, Doerflinger, G, Monget, S, Perron, S, Gasse, F, Angouillant-Boniface, O, Filoche-Romme, B, Murer, M, Gontier, S, Prevost, C, Monteiro, M.L, Combeau, C.
登録日2014-09-02
公開日2014-11-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Sar156497, an Exquisitely Selective Inhibitor of Aurora Kinases.
J.Med.Chem., 58, 2015
7CHV
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BU of 7chv by Molmil
Metallo-Beta-Lactamase VIM-2 in complex with 1-benzyl-1H-imidazole-2-carboxylic acid
分子名称: 1-(phenylmethyl)imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
著者Yan, Y.-H, Li, G.-B.
登録日2020-07-06
公開日2021-07-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.174 Å)
主引用文献AncPhore: A versatile tool for anchor pharmacophore steered drug discovery with applications in discovery of new inhibitors targeting metallo-beta-lactamases and indoleamine/tryptophan 2,3-dioxygenases.
Acta Pharm Sin B, 11, 2021
7C81
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BU of 7c81 by Molmil
E30 F-particle in complex with 6C5
分子名称: Heavy chain, Light chain, SPHINGOSINE, ...
著者Wang, K, Zheng, B, Zhang, L, Cui, L, Su, X, Zhang, Q, Guo, Y, Zhu, L, Zhu, F, Rao, Z, Wang, X.
登録日2020-05-28
公開日2020-07-29
最終更新日2020-09-16
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Serotype specific epitopes identified by neutralizing antibodies underpin immunogenic differences in Enterovirus B.
Nat Commun, 11, 2020
7C80
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E30 F-particle in complex with 4B10
分子名称: Heavy chain, Light chain, SPHINGOSINE, ...
著者Wang, K, Zheng, B, Zhang, L, Cui, L, Su, X, Zhang, Q, Guo, Y, Zhu, L, Zhu, F, Rao, Z, Wang, X.
登録日2020-05-28
公開日2020-07-29
最終更新日2020-09-16
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Serotype specific epitopes identified by neutralizing antibodies underpin immunogenic differences in Enterovirus B.
Nat Commun, 11, 2020
7CF8
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BU of 7cf8 by Molmil
PfkB(Mycobacterium marinum)
分子名称: Fructokinase, PfkB, GLYCEROL, ...
著者Li, J, Gao, B, Ji, R.
登録日2020-06-24
公開日2021-06-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Structural analysis and functional study of phosphofructokinase B (PfkB) from Mycobacterium marinum.
Biochem.Biophys.Res.Commun., 579, 2021
7OTC
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BU of 7otc by Molmil
Cryo-EM structure of an Escherichia coli 70S ribosome in complex with elongation factor G and the antibiotic Argyrin B
分子名称: 1,4-DIAMINOBUTANE, 16S ribosomal RNA, 23S ribosomal RNA, ...
著者Wieland, M, Koller, T.O, Wilson, D.N.
登録日2021-06-10
公開日2022-05-11
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献The cyclic octapeptide antibiotic argyrin B inhibits translation by trapping EF-G on the ribosome during translocation.
Proc.Natl.Acad.Sci.USA, 119, 2022
7PV9
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BU of 7pv9 by Molmil
Listeria monocytogene InlB (internalin B) residues 36-392 (internalin domain and B-repeat)
分子名称: Internalin B
著者Geerds, C, Niemann, H.H.
登録日2021-10-01
公開日2022-01-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献A recurring packing contact in crystals of InlB pinpoints functional binding sites in the internalin domain and the B repeat.
Acta Crystallogr D Struct Biol, 78, 2022
7N8H
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BU of 7n8h by Molmil
SARS-CoV-2 S (B.1.429 / epsilon variant) + S2M11 + S2L20 Global Refinement
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2021-06-14
公開日2021-07-14
最終更新日2021-08-18
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献SARS-CoV-2 immune evasion by the B.1.427/B.1.429 variant of concern.
Science, 373, 2021
5LGK
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BU of 5lgk by Molmil
Crystal structure of the human IgE-Fc bound to its B cell receptor derCD23
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Ig epsilon chain C region, Low affinity immunoglobulin epsilon Fc receptor, ...
著者Dhaliwal, B, Pang, M.O.Y, Sutton, B.J.
登録日2016-07-07
公開日2017-04-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献IgE binds asymmetrically to its B cell receptor CD23.
Sci Rep, 7, 2017
7NSG
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BU of 7nsg by Molmil
Structure of human excitatory amino acid transporter 3 (EAAT3) in complex with HIP-B
分子名称: (+)-3-Hydroxy-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-6-carboxylic acid, (-)-3-Hydroxy-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-6-carboxylic acid, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
著者Baronina, A, Pike, A.C.W, Yu, X, Dong, Y.Y, Shintre, C.A, Tessitore, A, Chu, A, Rotty, B, Venkaya, S, Mukhopadhyay, S.M.M, Borkowska, O, Chalk, R, Shrestha, L, Burgess-Brown, N.A, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Han, S, Carpenter, E.P, Structural Genomics Consortium (SGC)
登録日2021-03-05
公開日2022-03-16
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.34 Å)
主引用文献Structure of human excitatory amino acid transporter 3 (EAAT3) in complex with HIP-B
TO BE PUBLISHED
7N8I
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BU of 7n8i by Molmil
SARS-CoV-2 S (B.1.429 / epsilon variant) + S2M11 + S2L20 (Local Refinement of the NTD/S2L20)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, S2L20 Fab Heavy Chain Variable Region, S2L20 Fab Light Chain Variable Region, ...
著者McCallum, M, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
登録日2021-06-14
公開日2021-07-14
最終更新日2021-08-18
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献SARS-CoV-2 immune evasion by the B.1.427/B.1.429 variant of concern.
Science, 373, 2021
6ORN
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BU of 6orn by Molmil
Modified BG505 SOSIP-based immunogen RC1 in complex with the elicited V3-glycan patch bNAb 10-1074
分子名称: 10-1074 antibody Fab heavy chain, 10-1074 antibody Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Abernathy, M.E, Gristick, H.B, Bjorkman, P.J.
登録日2019-04-30
公開日2019-06-12
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (4.05 Å)
主引用文献Immunization expands B cells specific to HIV-1 V3 glycan in mice and macaques.
Nature, 570, 2019
7RSW
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BU of 7rsw by Molmil
Crystal structure of group B human rotavirus VP8*
分子名称: Outer capsid protein VP4, peptide
著者Hu, L, Salmen, W, Sankaran, B, Prasad, B.V.
登録日2021-08-11
公開日2022-07-20
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Novel fold of rotavirus glycan-binding domain predicted by AlphaFold2 and determined by X-ray crystallography.
Commun Biol, 5, 2022
8TXT
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BU of 8txt by Molmil
Crystal structure of 05.GC.w13.02 Fab in complex with H5 HA from A/Viet Nam/1203/2004(H5N1)
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, GC_W13B_B, ...
著者Lin, T.H, Moore, N, Wilson, I.A.
登録日2023-08-24
公開日2024-06-26
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献Maturation of germinal center B cells after influenza virus vaccination in humans.
J.Exp.Med., 221, 2024
8R09
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BU of 8r09 by Molmil
Cryo-EM structure of the cross-exon pre-B+5'ss+ATPgammaS complex
分子名称: 116 kDa U5 small nuclear ribonucleoprotein component, 5'ss oligo, NHP2-like protein 1, ...
著者Zhang, Z, Kumar, V, Dybkov, O, Will, C.L, Zhong, J, Ludwig, S, Urlaub, H, Kastner, B, Stark, H, Luehrmann, R.
登録日2023-10-31
公開日2024-05-22
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Structural insights into the cross-exon to cross-intron spliceosome switch.
Nature, 630, 2024
8QZS
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BU of 8qzs by Molmil
Cryo-EM structure of the cross-exon B-like complex
分子名称: 116 kDa U5 small nuclear ribonucleoprotein component, Microfibrillar-associated protein 1, NHP2-like protein 1, ...
著者Zhang, Z, Kumar, V, Dybkov, O, Will, C.L, Zhong, J, Ludwig, S, Urlaub, H, Kastner, B, Stark, H, Luehrmann, R.
登録日2023-10-29
公開日2024-05-22
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Structural insights into the cross-exon to cross-intron spliceosome switch.
Nature, 630, 2024
8QXD
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BU of 8qxd by Molmil
Cryo-EM structure of the cross-exon pre-B complex
分子名称: 116 kDa U5 small nuclear ribonucleoprotein component, NHP2-like protein 1, N-terminally processed, ...
著者Zhang, Z, Kumar, V, Dybkov, O, Will, C.L, Zhong, J, Ludwig, S, Urlaub, H, Kastner, B, Stark, H, Luehrmann, R.
登録日2023-10-24
公開日2024-05-22
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (9.6 Å)
主引用文献Structural insights into the cross-exon to cross-intron spliceosome switch.
Nature, 630, 2024
6ORP
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BU of 6orp by Molmil
Modified BG505 SOSIP-based immunogen RC1 in complex with the elicited V3-glycan patch antibody Ab897NHP
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, Ab897NHP antibody Fab heavy chain, ...
著者Abernathy, M.E, Gristick, H.B, Bjorkman, P.J.
登録日2019-04-30
公開日2019-06-12
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Immunization expands B cells specific to HIV-1 V3 glycan in mice and macaques.
Nature, 570, 2019
8R0A
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BU of 8r0a by Molmil
Cryo-EM structure of the cross-exon pre-B+5'ss complex
分子名称: 116 kDa U5 small nuclear ribonucleoprotein component, 5'ss oligo, NHP2-like protein 1, ...
著者Zhang, Z, Kumar, V, Dybkov, O, Will, C.L, Zhong, J, Ludwig, S, Urlaub, H, Kastner, B, Stark, H, Luehrmann, R.
登録日2023-10-31
公開日2024-05-22
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (5.8 Å)
主引用文献Structural insights into the cross-exon to cross-intron spliceosome switch.
Nature, 630, 2024
8R0B
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BU of 8r0b by Molmil
Cryo-EM structure of the cross-exon pre-B+ATP complex
分子名称: 116 kDa U5 small nuclear ribonucleoprotein component, 5'ss oligo, NHP2-like protein 1, ...
著者Zhang, Z, Kumar, V, Dybkov, O, Will, C.L, Zhong, J, Ludwig, S, Urlaub, H, Kastner, B, Stark, H, Luehrmann, R.
登録日2023-10-31
公開日2024-05-22
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Structural insights into the cross-exon to cross-intron spliceosome switch.
Nature, 630, 2024
8R08
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BU of 8r08 by Molmil
Cryo-EM structure of the cross-exon pre-B+AMPPNP complex
分子名称: 116 kDa U5 small nuclear ribonucleoprotein component, NHP2-like protein 1, N-terminally processed, ...
著者Zhang, Z, Kumar, V, Dybkov, O, Will, C.L, Zhong, J, Ludwig, S, Urlaub, H, Kastner, B, Stark, H, Luehrmann, R.
登録日2023-10-31
公開日2024-05-22
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (6.1 Å)
主引用文献Structural insights into the cross-exon to cross-intron spliceosome switch.
Nature, 630, 2024
8RM5
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BU of 8rm5 by Molmil
Cryo-EM structure of the cross-exon pre-B+5'ssLNG+ATPyS complex
分子名称: 116 kDa U5 small nuclear ribonucleoprotein component, 5'SS oligo, NHP2-like protein 1, ...
著者Zhang, Z, Kumar, V, Dybkov, O, Will, C.L, Zhong, J, Ludwig, S, Urlaub, H, Kastner, B, Stark, H, Luehrmann, R.
登録日2024-01-05
公開日2024-05-22
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (6.9 Å)
主引用文献Structural insights into the cross-exon to cross-intron spliceosome switch.
Nature, 630, 2024
6ORO
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BU of 6oro by Molmil
Modified BG505 SOSIP-based immunogen RC1 in complex with the elicited V3-glycan patch antibody Ab874NHP
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, Ab874NHP antibody Fab heavy chain, ...
著者Abernathy, M.E, Gristick, H.B, Bjorkman, P.J.
登録日2019-04-30
公開日2019-06-12
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Immunization expands B cells specific to HIV-1 V3 glycan in mice and macaques.
Nature, 570, 2019
7R3L
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BU of 7r3l by Molmil
PARP14 catalytic domain in complex with OUL40
分子名称: 6-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole, CHLORIDE ION, Poly [ADP-ribose] polymerase 14, ...
著者Maksimainen, M.M, Murthy, S, Lehtio, L.
登録日2022-02-07
公開日2023-01-25
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献[1,2,4]Triazolo[3,4- b ]benzothiazole Scaffold as Versatile Nicotinamide Mimic Allowing Nanomolar Inhibition of Different PARP Enzymes.
J.Med.Chem., 66, 2023
7R3O
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BU of 7r3o by Molmil
PARP15 catalytic domain in complex with OUL40
分子名称: 6-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15
著者Maksimainen, M.M, Murthy, S, Lehtio, L.
登録日2022-02-07
公開日2023-01-25
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献[1,2,4]Triazolo[3,4- b ]benzothiazole Scaffold as Versatile Nicotinamide Mimic Allowing Nanomolar Inhibition of Different PARP Enzymes.
J.Med.Chem., 66, 2023

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