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6F7I
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BU of 6f7i by Molmil
human MALT1(329-728) IN COMPLEX WITH MLT-747
分子名称: 1-[2-chloranyl-7-[(1~{S})-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-(5-chloranyl-6-pyrrolidin-1-ylcarbonyl-pyridin-3-yl)urea, GLYCEROL, MAGNESIUM ION, ...
著者Renatus, M, Renatus, M.
登録日2017-12-09
公開日2019-01-02
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献An allosteric MALT1 inhibitor is a molecular corrector rescuing function in an immunodeficient patient.
Nat. Chem. Biol., 15, 2019
7XMN
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BU of 7xmn by Molmil
Structure of SARS-CoV-2 ORF8
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Maltodextrin-binding protein, ...
著者Chen, X, Xu, W.
登録日2022-04-26
公開日2023-05-31
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Glycosylated, Lipid-Binding, CDR-Like Domains of SARS-CoV-2 ORF8 Indicate Unique Sites of Immune Regulation.
Microbiol Spectr, 11, 2023
8HIT
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BU of 8hit by Molmil
Crystal structure of anti-CTLA-4 humanized IgG1 MAb--JS007 in complex with human CTLA-4
分子名称: Cytotoxic T-lymphocyte protein 4, JS007-VH, JS007-VL
著者Tan, S, Shi, Y, Wang, Q, Gao, G.F, Guan, J, Chai, Y, Qi, J.
登録日2022-11-21
公開日2023-02-01
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Characterization of the high-affinity anti-CTLA-4 monoclonal antibody JS007 for immune checkpoint therapy of cancer.
Mabs, 15, 2023
3H59
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BU of 3h59 by Molmil
Hepatitis C virus polymerase NS5B with thiazine inhibitor 2
分子名称: N-{3-[(5S)-5-(1,1-dimethylpropyl)-1-(4-fluoro-3-methylbenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1,1-dioxido-4H-1,4-benzothiazin-7-yl}methanesulfonamide, RNA-directed RNA polymerase
著者Harris, S.F, Ghate, M.
登録日2009-04-21
公開日2009-09-08
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Non-nucleoside inhibitors of HCV polymerase NS5B. Part 3: synthesis and optimization studies of benzothiazine-substituted tetramic acids
Bioorg.Med.Chem.Lett., 19, 2009
5YJ8
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BU of 5yj8 by Molmil
Identification of a small molecule inhibitor for the Tudor domain of TDRD3
分子名称: 5-(aminomethyl)-1,3-dimethyl-benzimidazol-2-one, SULFATE ION, Tudor domain-containing protein 3
著者Liu, J, Ruan, K.
登録日2017-10-09
公開日2018-05-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.762 Å)
主引用文献Structural plasticity of the TDRD3 Tudor domain probed by a fragment screening hit.
FEBS J., 285, 2018
7VWA
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BU of 7vwa by Molmil
Helicoverpa armigera pheromone-binding protein PBP1 with Z-9-hexadecenal
分子名称: (Z)-hexadec-9-enal, PBP1
著者Zheng, J, Chen, Z.
登録日2021-11-10
公開日2022-02-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Insights into the Ligand-Binding and -Releasing Mechanism of Helicoverpa armigera Pheromone-Binding Protein PBP1.
Int J Mol Sci, 23, 2022
7VW8
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BU of 7vw8 by Molmil
Helicoverpa armigera pheromone-binding protein PBP1 at pH 7.5
分子名称: PBP1
著者Zheng, J, Chen, Z.
登録日2021-11-09
公開日2022-02-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural Insights into the Ligand-Binding and -Releasing Mechanism of Helicoverpa armigera Pheromone-Binding Protein PBP1.
Int J Mol Sci, 23, 2022
7VW9
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BU of 7vw9 by Molmil
Helicoverpa armigera pheromone-binding protein PBP1 at pH 5.5
分子名称: PBP1
著者Zheng, J, Chen, Z.
登録日2021-11-10
公開日2022-02-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural Insights into the Ligand-Binding and -Releasing Mechanism of Helicoverpa armigera Pheromone-Binding Protein PBP1.
Int J Mol Sci, 23, 2022
6LR6
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BU of 6lr6 by Molmil
The crystal structure of human cytoplasmic LRS
分子名称: 4-Chloro-3-aminomethyl-7-[ethoxy]-3H-benzo[C][1,2]oxaborol-1-ol modified adenosine, 5'-O-(L-leucylsulfamoyl)adenosine, Leucine--tRNA ligase, ...
著者Liu, R.J, Long, T, Li, H, Li, J, Zhao, J.H, Lin, J.Z, Palencia, A, Wang, M.Z, Cusack, S, Wang, E.D.
登録日2020-01-15
公開日2020-03-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.009 Å)
主引用文献Molecular basis of the multifaceted functions of human leucyl-tRNA synthetase in protein synthesis and beyond.
Nucleic Acids Res., 48, 2020
5DRO
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BU of 5dro by Molmil
Structure of the Aquifex aeolicus LpxC/LPC-011 Complex
分子名称: 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Lee, C.-J, Najeeb, J, Zhou, P.
登録日2015-09-16
公開日2016-03-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Drug design from the cryptic inhibitor envelope.
Nat Commun, 7, 2016
6WC2
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BU of 6wc2 by Molmil
Crystal Structure of a Ternary MEF2 Chimera/NKX2-5/myocardin enhancer DNA Complex
分子名称: Homeobox protein Nkx-2.5, MEF2 Chimera,Myocyte-specific enhancer factor 2B,Myocyte-specific enhancer factor 2A, Myocardin Enhancer DNA
著者Lei, X, Chen, L.
登録日2020-03-29
公開日2020-07-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structures of Ternary Complexes of MEF2 and NKX2-5 Bound to DNA Reveal a Disease Related Protein-Protein Interaction Interface.
J.Mol.Biol., 432, 2020
5DRP
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BU of 5drp by Molmil
Structure of the AaLpxC/LPC-023 Complex
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, N~2~-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-N-hydroxy-L-isoleucinamide, ...
著者Najeeb, J, Lee, C.-J, Zhou, P.
登録日2015-09-16
公開日2016-03-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.889 Å)
主引用文献Drug design from the cryptic inhibitor envelope.
Nat Commun, 7, 2016
5DRR
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BU of 5drr by Molmil
Crystal structure of the Pseudomonas aeruginosa LpxC/LPC-058 complex
分子名称: 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3S)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide, NITRATE ION, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ...
著者Lee, C.-J, Najeeb, J, Zhou, P.
登録日2015-09-16
公開日2016-03-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Drug design from the cryptic inhibitor envelope.
Nat Commun, 7, 2016
7BW4
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BU of 7bw4 by Molmil
Structure of the RNA-dependent RNA polymerase from SARS-CoV-2
分子名称: Non-structural protein 7, Non-structural protein 8, RNA-directed RNA polymerase, ...
著者Peng, Q, Peng, R, Shi, Y.
登録日2020-04-13
公開日2020-05-27
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structural and Biochemical Characterization of the nsp12-nsp7-nsp8 Core Polymerase Complex from SARS-CoV-2.
Cell Rep, 31, 2020
7ULI
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BU of 7uli by Molmil
Apo HMG-CoA Reductase from Arabidopsis thaliana (HMG1)
分子名称: 3-hydroxy-3-methylglutaryl-coenzyme A reductase 1
著者Haywood, J, Bond, C.S.
登録日2022-04-05
公開日2022-05-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A fungal tolerance trait and selective inhibitors proffer HMG-CoA reductase as a herbicide mode-of-action.
Nat Commun, 13, 2022
3HIE
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BU of 3hie by Molmil
Structure of the membrane-binding domain of the Sec3 subunit of the Exocyst complex
分子名称: Exocyst complex component SEC3, PHOSPHATE ION
著者Baek, K, Dominguez, R.
登録日2009-05-19
公開日2010-02-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-function study of the N-terminal domain of exocyst subunit Sec3.
J.Biol.Chem., 285, 2010
6LPF
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BU of 6lpf by Molmil
The crystal structure of human cytoplasmic LRS
分子名称: 2'-(L-NORVALYL)AMINO-2'-DEOXYADENOSINE, 5'-O-(L-leucylsulfamoyl)adenosine, GLYCEROL, ...
著者Liu, R.J, Long, T, Li, H, Li, J, Zhao, J.H, Lin, J.Z, Palencia, A, Wang, M.Z, Cusack, S, Wang, E.D.
登録日2020-01-10
公開日2020-03-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Molecular basis of the multifaceted functions of human leucyl-tRNA synthetase in protein synthesis and beyond.
Nucleic Acids Res., 48, 2020
5DRQ
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BU of 5drq by Molmil
Crystal structure of the Pseudomonas aeruginosa LpxC/LPC-040 complex
分子名称: N-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzamide, NITRATE ION, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ...
著者Lee, C.-J, Najeeb, J, Zhou, P.
登録日2015-09-16
公開日2016-03-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Drug design from the cryptic inhibitor envelope.
Nat Commun, 7, 2016
4FK3
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BU of 4fk3 by Molmil
B-Raf Kinase V600E Oncogenic Mutant in Complex with PLX3203
分子名称: N-{2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]phenyl}ethanesulfonamide, Serine/threonine-protein kinase B-raf
著者Zhang, Y, Wang, W, Zhang, K.Y.J.
登録日2012-06-12
公開日2012-08-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Discovery of a selective inhibitor of oncogenic B-Raf kinase with potent antimelanoma activity.
Proc.Natl.Acad.Sci.USA, 105, 2008
4LJY
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BU of 4ljy by Molmil
Crystal structure of RNA splicing effector Prp5 in complex with ADP
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Zhang, Z.-M, Li, J, Yang, F, Xu, Y, Zhou, J.
登録日2013-07-05
公開日2013-12-11
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of Prp5p reveals interdomain interactions that impact spliceosome assembly.
Cell Rep, 5, 2013
4LK2
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BU of 4lk2 by Molmil
Crystal structure of RNA splicing effector Prp5
分子名称: NICKEL (II) ION, Pre-mRNA-processing ATP-dependent RNA helicase PRP5
著者Zhang, Z.-M, Li, J, Yang, F, Xu, Y, Zhou, J.
登録日2013-07-05
公開日2013-12-11
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Crystal structure of Prp5p reveals interdomain interactions that impact spliceosome assembly.
Cell Rep, 5, 2013
6A0Z
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BU of 6a0z by Molmil
Crystal structure of broadly neutralizing antibody 13D4 bound to H5N1 influenza hemagglutinin, HA head region
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody 13D4, Fab Heavy Chain, ...
著者Li, S, Li, T.
登録日2018-06-06
公開日2018-06-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.329 Å)
主引用文献Structural Basis for the Broad, Antibody-Mediated Neutralization of H5N1 Influenza Virus.
J. Virol., 92, 2018
5B7N
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BU of 5b7n by Molmil
Crystal structure of periplasmic 5-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Aeromonas hydrophila
分子名称: GLYCEROL, MTA/SAH nucleosidase, S-ADENOSYL-L-HOMOCYSTEINE
著者Xu, Y.
登録日2016-06-08
公開日2016-12-21
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.399 Å)
主引用文献Structural and Functional Analyses of Periplasmic 5'-Methylthioadenosine/S-Adenosylhomocysteine Nucleosidase from Aeromonas hydrophila.
Biochemistry, 56, 2017
5B7G
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BU of 5b7g by Molmil
Structures and functional analysis of periplasmic 5-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Aeromonas hydrophila
分子名称: ADENINE, GLYCEROL, MTA/SAH nucleosidase
著者Xu, Y.
登録日2016-06-07
公開日2017-01-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.399 Å)
主引用文献Structural and Functional Analyses of Periplasmic 5'-Methylthioadenosine/S-Adenosylhomocysteine Nucleosidase from Aeromonas hydrophila.
Biochemistry, 56, 2017
5B7P
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Structures and functional analysis of periplasmic 5-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Aeromonas hydrophila
分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, MTA/SAH nucleosidase
著者Xu, Y.
登録日2016-06-08
公開日2016-12-14
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Structural and Functional Analyses of Periplasmic 5'-Methylthioadenosine/S-Adenosylhomocysteine Nucleosidase from Aeromonas hydrophila.
Biochemistry, 56, 2017

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