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6JJP
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BU of 6jjp by Molmil
Crystal structure of Fab of a PD-1 monoclonal antibody MW11-h317 in complex with PD-1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of MW11-h317, Programmed cell death protein 1, ...
著者Wang, M, Wang, J, Wang, R, Jiao, S, Wang, S, Zhang, J, Zhang, M.
登録日2019-02-26
公開日2019-10-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Identification of a monoclonal antibody that targets PD-1 in a manner requiring PD-1 Asn58 glycosylation.
Commun Biol, 2, 2019
7WF3
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BU of 7wf3 by Molmil
Composite map of human Kv1.3 channel in apo state with beta subunits
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, POTASSIUM ION, Potassium voltage-gated channel subfamily A member 3, ...
著者Tyagi, A, Ahmed, T, Jian, S, Bajaj, S, Ong, S.T, Goay, S.S.M, Zhao, Y, Vorobyov, I, Tian, C, Chandy, K.G, Bhushan, S.
登録日2021-12-25
公開日2022-02-09
最終更新日2022-05-25
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Rearrangement of a unique Kv1.3 selectivity filter conformation upon binding of a drug.
Proc.Natl.Acad.Sci.USA, 119, 2022
7WF4
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BU of 7wf4 by Molmil
Composite map of human Kv1.3 channel in dalazatide-bound state with beta subunits
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, POTASSIUM ION, Potassium voltage-gated channel subfamily A member 3, ...
著者Tyagi, A, Ahmed, T, Jian, S, Bajaj, S, Ong, S.T, Goay, S.S.M, Zhao, Y, Vorobyov, I, Tian, C, Chandy, K.G, Bhushan, S.
登録日2021-12-25
公開日2022-02-09
最終更新日2022-05-25
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Rearrangement of a unique Kv1.3 selectivity filter conformation upon binding of a drug.
Proc.Natl.Acad.Sci.USA, 119, 2022
6L6I
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BU of 6l6i by Molmil
hASIC1a co-crystallized with Mamb-1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Acid-sensing ion channel 1
著者Lei, F, Jian, S.
登録日2019-10-29
公開日2020-11-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.24 Å)
主引用文献hASIC1a co-crystallized with Mamb-1
To Be Published
6L6N
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BU of 6l6n by Molmil
hASIC1a co-crystallized with Nafamostat
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Lei, F, Jian, S.
登録日2019-10-29
公開日2021-01-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献hASIC1a co-crystallized with Mamb-1
To Be Published
6L6P
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BU of 6l6p by Molmil
hASIC2a co-crystallized with Mamb-1
分子名称: Acid-sensing ion channel 2
著者Lei, F, Jian, S.
登録日2019-10-29
公開日2020-11-04
実験手法X-RAY DIFFRACTION (3.08 Å)
主引用文献hASIC2a co-crystallized with Mamb-1
To Be Published
7DY7
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BU of 7dy7 by Molmil
Discovery of Novel Small-molecule Inhibitors of PD-1/PD-L1 Axis that Promotes PD-L1 Internalization and Degradation
分子名称: 2-[[3-[[5-(2-methyl-3-phenyl-phenyl)-1,3,4-oxadiazol-2-yl]amino]phenyl]methylamino]ethanol, Programmed cell death 1 ligand 1
著者Cheng, Y, Wang, T.Y, Lu, M.L, Jiang, S, Xiao, Y.B.
登録日2021-01-20
公開日2022-01-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Discovery of Small-Molecule Inhibitors of the PD-1/PD-L1 Axis That Promote PD-L1 Internalization and Degradation.
J.Med.Chem., 65, 2022
7XJF
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BU of 7xjf by Molmil
Crystal structure of 6MW3211 Fab in complex with CD47
分子名称: 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, CHLORIDE ION, ...
著者Wang, J, Wang, R, Jiao, S, Wang, S, Zhang, J, Zhang, M, Wang, M.
登録日2022-04-16
公開日2023-05-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Blockade of dual immune checkpoint inhibitory signals with a CD47/PD-L1 bispecific antibody for cancer treatment.
Theranostics, 13, 2023
7DK2
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BU of 7dk2 by Molmil
Crystal structure of SARS-CoV-2 Spike RBD in complex with MW07 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, MW07 heavy chain, MW07 light chain, ...
著者Wang, J, Jiao, S, Wang, R, Zhang, J, Zhang, M, Wang, M, Chen, S.
登録日2020-11-22
公開日2021-12-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Architectural versatility of spike neutralization by a SARS-CoV-2 antibody
To Be Published
7D6Y
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BU of 7d6y by Molmil
eIF4E in Complex with a Disulphide-Free Autonomous VH Domain
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Eukaryotic translation initiation factor 4E, VH Domain (1C5), ...
著者Brown, C.J, Frosi, Y, Jiang, S, Lin, Y.C.
登録日2020-10-02
公開日2021-10-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.668 Å)
主引用文献Engineering Disulphide-Free Autonomous Antibody VH Domains to modulate intracellular pathways
To Be Published
5MH3
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BU of 5mh3 by Molmil
Crystal structure of a DM9 domain containing protein from Crassostrea gigas with K43A mutation
分子名称: GLYCEROL, Natterin-3
著者Weinert, T, Warkentin, E, Pang, G.
登録日2016-11-22
公開日2017-12-27
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献DM9 Domain Containing Protein Functions As a Pattern Recognition Receptor with Broad Microbial Recognition Spectrum.
Front Immunol, 8, 2017
5MH1
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BU of 5mh1 by Molmil
Crystal structure of a DM9 domain containing protein from Crassostrea gigas
分子名称: GLYCEROL, MAGNESIUM ION, Natterin-3, ...
著者Weinert, T, Warkentin, E, Pang, G.
登録日2016-11-22
公開日2017-12-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献DM9 Domain Containing Protein Functions As a Pattern Recognition Receptor with Broad Microbial Recognition Spectrum.
Front Immunol, 8, 2017
5MH2
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BU of 5mh2 by Molmil
Crystal structure of a DM9 domain containing protein from Crassostrea gigas with D22A mutation
分子名称: CHLORIDE ION, GLYCEROL, Natterin-3
著者Weinert, T, Warkentin, E, Peng, G.
登録日2016-11-22
公開日2017-12-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献DM9 Domain Containing Protein Functions As a Pattern Recognition Receptor with Broad Microbial Recognition Spectrum.
Front Immunol, 8, 2017
5MH0
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BU of 5mh0 by Molmil
Crystal structure of a DM9 domain containing protein from Crassostrea gigas
分子名称: GLYCEROL, Natterin-3
著者Weinert, T, Warkentin, E, Pang, G.
登録日2016-11-22
公開日2017-12-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献DM9 Domain Containing Protein Functions As a Pattern Recognition Receptor with Broad Microbial Recognition Spectrum.
Front Immunol, 8, 2017
4JAC
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BU of 4jac by Molmil
Dehaloperoxidase-Hemoglobin T56S
分子名称: AZIDE ION, Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Franzen, S, Swartz, P.D.
登録日2013-02-18
公開日2013-11-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.934 Å)
主引用文献The role of T56 in controlling the flexibility of the distal histidine in dehaloperoxidase-hemoglobin from Amphitrite ornata.
Biochim.Biophys.Acta, 1834, 2013
6KZU
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BU of 6kzu by Molmil
Macrocyclization of an all-D linear peptide improves target affinity and imparts cellular activity: A novel stapled alpha-helical peptide modality
分子名称: 2JN-DAL-E03-DTY-2JN-DSG-TDF-DGL-MK8-DLE-DLE-2JN, E3 ubiquitin-protein ligase Mdm2
著者Jiang, S, Brown, C.J.
登録日2019-09-25
公開日2019-10-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Macrocyclization of an all-d linear alpha-helical peptide imparts cellular permeability.
Chem Sci, 11, 2020
6KYA
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BU of 6kya by Molmil
Crystal structure of human TLR8 in complex TH1027
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, 3-[5-methylsulfanyl-4-(3,4,5-trimethylphenyl)-1,2,4-triazol-3-yl]propan-1-ol, ...
著者Tanji, H, Sakaniwa, K, Ohto, U, Shimizu, T.
登録日2019-09-17
公開日2020-05-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Rationally Designed Small-Molecule Inhibitors Targeting an Unconventional Pocket on the TLR8 Protein-Protein Interface.
J.Med.Chem., 63, 2020
4LN0
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BU of 4ln0 by Molmil
Crystal structure of the VGLL4-TEAD4 complex
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Transcription cofactor vestigial-like protein 4, ...
著者Wang, H, Shi, Z, Zhou, Z.
登録日2013-07-11
公開日2014-02-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.896 Å)
主引用文献A Peptide Mimicking VGLL4 Function Acts as a YAP Antagonist Therapy against Gastric Cancer.
Cancer Cell, 25, 2014
5T0K
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BU of 5t0k by Molmil
Structure of G9a SET-domain with H3K9M mutant peptide and SAM
分子名称: H3K9 mutant peptide, Histone-lysine N-methyltransferase EHMT2, S-ADENOSYLMETHIONINE, ...
著者Xu, K, Tong, L.
登録日2016-08-16
公開日2016-10-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A histone H3K9M mutation traps histone methyltransferase Clr4 to prevent heterochromatin spreading.
Elife, 5, 2016
5T0M
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BU of 5t0m by Molmil
A histone H3K9M mutation traps histone methyltransferase Clr4 to prevent heterochromatin spreading
分子名称: Histone-lysine N-methyltransferase EHMT2, S-ADENOSYL-L-HOMOCYSTEINE, S-ADENOSYLMETHIONINE, ...
著者Xu, K, Tong, L.
登録日2016-08-16
公開日2016-10-05
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.896 Å)
主引用文献A histone H3K9M mutation traps histone methyltransferase Clr4 to prevent heterochromatin spreading.
Elife, 5, 2016
5W5O
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BU of 5w5o by Molmil
Identification of potent and selective RIPK2 inhibitors for the treatment of inflammatory diseases.
分子名称: 4-{6-(tert-butylsulfonyl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl}-6-chloropyridin-2-amine, Receptor-interacting serine/threonine-protein kinase 2
著者Kreusch, A, Spraggon, G.
登録日2017-06-15
公開日2017-10-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Identification of Potent and Selective RIPK2 Inhibitors for the Treatment of Inflammatory Diseases.
ACS Med Chem Lett, 8, 2017
5W5J
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BU of 5w5j by Molmil
Identification of potent and selective RIPK2 inhibitors for the treatment of inflammatory diseases
分子名称: N-(2-chlorophenyl)pyrazolo[1,5-a]pyridine-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 2, SULFATE ION
著者Kreusch, A, Spraggon, G.
登録日2017-06-15
公開日2017-10-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Identification of Potent and Selective RIPK2 Inhibitors for the Treatment of Inflammatory Diseases.
ACS Med Chem Lett, 8, 2017
5WVM
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BU of 5wvm by Molmil
Crystal structure of baeS cocrystallized with 2 mM indole
分子名称: Maltose-binding periplasmic protein,Two-component system sensor kinase, SULFATE ION
著者Wang, W, Zhang, Y, Rang, T, Xu, D.
登録日2016-12-26
公開日2018-01-03
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of the sensor domain of BaeS from Serratia marcescens FS14
Proteins, 85, 2017
5WVN
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BU of 5wvn by Molmil
Crystal structure of MBS-BaeS fusion protein
分子名称: Maltose-binding periplasmic protein,Two-component system sensor kinase, SULFATE ION
著者Wang, W, Zhang, Y, Ran, T, Xu, D.
登録日2016-12-26
公開日2018-01-03
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of the sensor domain of BaeS from Serratia marcescens FS14
Proteins, 85, 2017
8HO4
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BU of 8ho4 by Molmil
Falcilysin in complex with MMV000848
分子名称: (2R)-1-(9H-carbazol-9-yl)-3-(cyclopentylamino)propan-2-ol, 1,2-ETHANEDIOL, Falcilysin, ...
著者Lin, J.Q, Chung, Z, Lescar, J.
登録日2022-12-09
公開日2023-12-20
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Identification of an inhibitory pocket in falcilysin provides a new avenue for malaria drug development.
Cell Chem Biol, 31, 2024

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件を2024-08-07に公開中

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