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6L6P
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BU of 6l6p by Molmil
hASIC2a co-crystallized with Mamb-1
Descriptor: Acid-sensing ion channel 2
Authors:Lei, F, Jian, S.
Deposit date:2019-10-29
Release date:2020-11-04
Method:X-RAY DIFFRACTION (3.08 Å)
Cite:hASIC2a co-crystallized with Mamb-1
To Be Published
4AYA
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BU of 4aya by Molmil
Crystal structure of ID2 HLH homodimer at 2.1A resolution
Descriptor: ACETATE ION, DNA-BINDING PROTEIN INHIBITOR ID-2, POTASSIUM ION
Authors:Wong, M.V, Jiang, S, Palasingam, P, Kolatkar, P.R.
Deposit date:2012-06-19
Release date:2012-11-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.103 Å)
Cite:A Divalent Ion is Crucial in the Structure and Dominant-Negative Function of Id Proteins, a Class of Helix-Loop-Helix Transcription Regulators.
Plos One, 7, 2012
3S49
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BU of 3s49 by Molmil
RNA crystal structure with 2-Se-uridine modification
Descriptor: POTASSIUM ION, RNA (5'-R(*GP*UP*AP*UP*AP*(RUS)P*AP*C)-3')
Authors:Sheng, J, Gan, J, Sun, H, Hassan, A.E.H, Jiang, S, Huang, Z.
Deposit date:2011-05-19
Release date:2011-06-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Higher Specificity of RNA Base Pairing with 2-Selenouridine
To be Published
4RV0
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BU of 4rv0 by Molmil
Crystal structure of TN complex
Descriptor: Nuclear protein localization protein 4 homolog, SULFATE ION, Transitional endoplasmic reticulum ATPase TER94
Authors:Hao, Q, Jiao, S, Shi, Z.B, Zhou, Z.C.
Deposit date:2014-11-23
Release date:2015-11-25
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:Crystal structure of TN complex
To be Published
7WF3
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BU of 7wf3 by Molmil
Composite map of human Kv1.3 channel in apo state with beta subunits
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, POTASSIUM ION, Potassium voltage-gated channel subfamily A member 3, ...
Authors: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.
Deposit date:2021-12-25
Release date:2022-02-09
Last modified:2022-05-25
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite: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
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, POTASSIUM ION, Potassium voltage-gated channel subfamily A member 3, ...
Authors: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.
Deposit date:2021-12-25
Release date:2022-02-09
Last modified:2022-05-25
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Rearrangement of a unique Kv1.3 selectivity filter conformation upon binding of a drug.
Proc.Natl.Acad.Sci.USA, 119, 2022
7XJF
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BU of 7xjf by Molmil
Crystal structure of 6MW3211 Fab in complex with CD47
Descriptor: 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, ...
Authors:Wang, J, Wang, R, Jiao, S, Wang, S, Zhang, J, Zhang, M, Wang, M.
Deposit date:2022-04-16
Release date:2023-05-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Blockade of dual immune checkpoint inhibitory signals with a CD47/PD-L1 bispecific antibody for cancer treatment.
Theranostics, 13, 2023
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
Descriptor: 2-[[3-[[5-(2-methyl-3-phenyl-phenyl)-1,3,4-oxadiazol-2-yl]amino]phenyl]methylamino]ethanol, Programmed cell death 1 ligand 1
Authors:Cheng, Y, Wang, T.Y, Lu, M.L, Jiang, S, Xiao, Y.B.
Deposit date:2021-01-20
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Discovery of Small-Molecule Inhibitors of the PD-1/PD-L1 Axis That Promote PD-L1 Internalization and Degradation.
J.Med.Chem., 65, 2022
7DK2
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BU of 7dk2 by Molmil
Crystal structure of SARS-CoV-2 Spike RBD in complex with MW07 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, MW07 heavy chain, MW07 light chain, ...
Authors:Wang, J, Jiao, S, Wang, R, Zhang, J, Zhang, M, Wang, M, Chen, S.
Deposit date:2020-11-22
Release date:2021-12-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite: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
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Eukaryotic translation initiation factor 4E, VH Domain (1C5), ...
Authors:Brown, C.J, Frosi, Y, Jiang, S, Lin, Y.C.
Deposit date:2020-10-02
Release date:2021-10-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.668 Å)
Cite:Engineering Disulphide-Free Autonomous Antibody VH Domains to modulate intracellular pathways
To Be Published
5MH1
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BU of 5mh1 by Molmil
Crystal structure of a DM9 domain containing protein from Crassostrea gigas
Descriptor: GLYCEROL, MAGNESIUM ION, Natterin-3, ...
Authors:Weinert, T, Warkentin, E, Pang, G.
Deposit date:2016-11-22
Release date:2017-12-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:DM9 Domain Containing Protein Functions As a Pattern Recognition Receptor with Broad Microbial Recognition Spectrum.
Front Immunol, 8, 2017
5MH3
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BU of 5mh3 by Molmil
Crystal structure of a DM9 domain containing protein from Crassostrea gigas with K43A mutation
Descriptor: GLYCEROL, Natterin-3
Authors:Weinert, T, Warkentin, E, Pang, G.
Deposit date:2016-11-22
Release date:2017-12-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: CHLORIDE ION, GLYCEROL, Natterin-3
Authors:Weinert, T, Warkentin, E, Peng, G.
Deposit date:2016-11-22
Release date:2017-12-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.3 Å)
Cite: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
Descriptor: GLYCEROL, Natterin-3
Authors:Weinert, T, Warkentin, E, Pang, G.
Deposit date:2016-11-22
Release date:2017-12-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:DM9 Domain Containing Protein Functions As a Pattern Recognition Receptor with Broad Microbial Recognition Spectrum.
Front Immunol, 8, 2017
6KYA
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BU of 6kya by Molmil
Crystal structure of human TLR8 in complex TH1027
Descriptor: 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, ...
Authors:Tanji, H, Sakaniwa, K, Ohto, U, Shimizu, T.
Deposit date:2019-09-17
Release date:2020-05-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Rationally Designed Small-Molecule Inhibitors Targeting an Unconventional Pocket on the TLR8 Protein-Protein Interface.
J.Med.Chem., 63, 2020
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
Descriptor: 2JN-DAL-E03-DTY-2JN-DSG-TDF-DGL-MK8-DLE-DLE-2JN, E3 ubiquitin-protein ligase Mdm2
Authors:Jiang, S, Brown, C.J.
Deposit date:2019-09-25
Release date:2019-10-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Macrocyclization of an all-d linear alpha-helical peptide imparts cellular permeability.
Chem Sci, 11, 2020
4JAC
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BU of 4jac by Molmil
Dehaloperoxidase-Hemoglobin T56S
Descriptor: AZIDE ION, Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Franzen, S, Swartz, P.D.
Deposit date:2013-02-18
Release date:2013-11-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.934 Å)
Cite:The role of T56 in controlling the flexibility of the distal histidine in dehaloperoxidase-hemoglobin from Amphitrite ornata.
Biochim.Biophys.Acta, 1834, 2013
4LN0
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BU of 4ln0 by Molmil
Crystal structure of the VGLL4-TEAD4 complex
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Transcription cofactor vestigial-like protein 4, ...
Authors:Wang, H, Shi, Z, Zhou, Z.
Deposit date:2013-07-11
Release date:2014-02-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.896 Å)
Cite:A Peptide Mimicking VGLL4 Function Acts as a YAP Antagonist Therapy against Gastric Cancer.
Cancer Cell, 25, 2014
5W5J
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BU of 5w5j by Molmil
Identification of potent and selective RIPK2 inhibitors for the treatment of inflammatory diseases
Descriptor: N-(2-chlorophenyl)pyrazolo[1,5-a]pyridine-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 2, SULFATE ION
Authors:Kreusch, A, Spraggon, G.
Deposit date:2017-06-15
Release date:2017-10-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Identification of Potent and Selective RIPK2 Inhibitors for the Treatment of Inflammatory Diseases.
ACS Med Chem Lett, 8, 2017
5W5O
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BU of 5w5o by Molmil
Identification of potent and selective RIPK2 inhibitors for the treatment of inflammatory diseases.
Descriptor: 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
Authors:Kreusch, A, Spraggon, G.
Deposit date:2017-06-15
Release date:2017-10-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Identification of Potent and Selective RIPK2 Inhibitors for the Treatment of Inflammatory Diseases.
ACS Med Chem Lett, 8, 2017
5T0K
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BU of 5t0k by Molmil
Structure of G9a SET-domain with H3K9M mutant peptide and SAM
Descriptor: H3K9 mutant peptide, Histone-lysine N-methyltransferase EHMT2, S-ADENOSYLMETHIONINE, ...
Authors:Xu, K, Tong, L.
Deposit date:2016-08-16
Release date:2016-10-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: Histone-lysine N-methyltransferase EHMT2, S-ADENOSYL-L-HOMOCYSTEINE, S-ADENOSYLMETHIONINE, ...
Authors:Xu, K, Tong, L.
Deposit date:2016-08-16
Release date:2016-10-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.896 Å)
Cite:A histone H3K9M mutation traps histone methyltransferase Clr4 to prevent heterochromatin spreading.
Elife, 5, 2016
5V21
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BU of 5v21 by Molmil
Crystal structure of human SETD2 SET-domain in complex with H3K36M peptide and SAM
Descriptor: Histone H3K36M peptide, Histone-lysine N-methyltransferase SETD2, S-ADENOSYLMETHIONINE, ...
Authors:Zhang, Y, Tong, L.
Deposit date:2017-03-02
Release date:2017-03-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.415 Å)
Cite:Molecular basis for the role of oncogenic histone mutations in modulating H3K36 methylation.
Sci Rep, 7, 2017
5V22
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BU of 5v22 by Molmil
Crystal structure of human SETD2 SET-domain in complex with H3K36M peptide and SAH
Descriptor: Histone H3K36M peptide, Histone-lysine N-methyltransferase SETD2, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Zhang, Y, Tong, L.
Deposit date:2017-03-02
Release date:2017-03-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular basis for the role of oncogenic histone mutations in modulating H3K36 methylation.
Sci Rep, 7, 2017
5WVM
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BU of 5wvm by Molmil
Crystal structure of baeS cocrystallized with 2 mM indole
Descriptor: Maltose-binding periplasmic protein,Two-component system sensor kinase, SULFATE ION
Authors:Wang, W, Zhang, Y, Rang, T, Xu, D.
Deposit date:2016-12-26
Release date:2018-01-03
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of the sensor domain of BaeS from Serratia marcescens FS14
Proteins, 85, 2017

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