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7EIL
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BU of 7eil by Molmil
BRD4-BD1 in complex with LT-909-110
Descriptor: Bromodomain-containing protein 4, N-[4-[4-ethanoyl-5-methyl-2-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]phenyl]ethanamide
Authors:Zheng, W, Kong, B, Tang, W, Zhu, J, Chen, Y.
Deposit date:2021-03-31
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of 1-(5-(1H-benzo[d]imidazole-2-yl)-2,4-dimethyl-1H-pyrrol-3-yl)ethan-1-one derivatives as novel and potent bromodomain and extra-terminal (BET) inhibitors with anticancer efficacy
Eur.J.Med.Chem., 227, 2022
6UVB
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BU of 6uvb by Molmil
Crystal structure of far-red-light absorbing cyanobacteriochrome at 100K
Descriptor: Multi-sensor signal transduction histidine kinase, PHYCOCYANOBILIN
Authors:Yang, X, Ren, Z, Bandara, S.
Deposit date:2019-11-01
Release date:2020-11-04
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of a far-red-sensing cyanobacteriochrome reveals an atypical bilin conformation and spectral tuning mechanism.
Proc.Natl.Acad.Sci.USA, 118, 2021
6UV8
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BU of 6uv8 by Molmil
Crystal structure of a far-red cyanobacteriochrome photoreceptor at room temperature
Descriptor: Multi-sensor signal transduction histidine kinase, PHYCOCYANOBILIN
Authors:Yang, X, Ren, Z, Bandara, S.
Deposit date:2019-11-01
Release date:2020-11-04
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:Crystal structure of a far-red-sensing cyanobacteriochrome reveals an atypical bilin conformation and spectral tuning mechanism.
Proc.Natl.Acad.Sci.USA, 118, 2021
4QSZ
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BU of 4qsz by Molmil
Crystal structure of mouse JMJd7 fused with maltose-binding protein
Descriptor: CITRATE ANION, Maltose-binding periplasmic protein, JmjC domain-containing protein 7 chimera, ...
Authors:Liu, H, Wang, C, Zhang, G.Y.
Deposit date:2014-07-06
Release date:2015-07-08
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Crystal structure of mouse JMJd7 fused with maltose-binding protein
To be Published
6VIE
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BU of 6vie by Molmil
Structure of caspase-1 in complex with gasdermin D
Descriptor: Caspase-1 subunit p10, Caspase-1 subunit p20, Gasdermin-D
Authors:Liu, Z, Xiao, T.S.
Deposit date:2020-01-13
Release date:2020-07-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Caspase-1 Engages Full-Length Gasdermin D through Two Distinct Interfaces That Mediate Caspase Recruitment and Substrate Cleavage.
Immunity, 53, 2020
6VWU
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BU of 6vwu by Molmil
X-ray structure of ALKS 4230, a fusion of circularly permuted human Interleukin-2 and Interleukin-2 Receptor alpha
Descriptor: Interleukin-2,Interleukin-2 receptor subunit alpha
Authors:Losey, H.C.
Deposit date:2020-02-20
Release date:2020-04-29
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:ALKS 4230: a novel engineered IL-2 fusion protein with an improved cellular selectivity profile for cancer immunotherapy.
J Immunother Cancer, 8, 2020
6W35
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BU of 6w35 by Molmil
A new Autotaxin Inhibitor for the Treatment of Idiopathic Pulmonary Fibrosis: A Clinical Candidate Discovered Using DNA-Encoded Chemistry
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-fluoranyl-~{N}-[(2~{R})-1-[1-(2~{H}-indazol-5-yl)-3-methyl-2,4-bis(oxidanylidene)-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-5-(trifluoromethyl)benzamide, CALCIUM ION, ...
Authors:Cuozzo, J.W.
Deposit date:2020-03-09
Release date:2020-07-08
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Novel Autotaxin Inhibitor for the Treatment of Idiopathic Pulmonary Fibrosis: A Clinical Candidate Discovered Using DNA-Encoded Chemistry.
J.Med.Chem., 63, 2020
6WER
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BU of 6wer by Molmil
DENV2 NS1 in complex with neutralizing 2B7 Fab fragment
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2B7 Fab heavy chain, 2B7 Fab light chain, ...
Authors:Akey, D.L, Smith, J.L.
Deposit date:2020-04-02
Release date:2020-12-23
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.96 Å)
Cite:Structural basis for antibody inhibition of flavivirus NS1-triggered endothelial dysfunction.
Science, 371, 2021
7CN9
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BU of 7cn9 by Molmil
Cryo-EM structure of SARS-CoV-2 Spike ectodomain
Descriptor: 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, ...
Authors:Ho, M, Chang, Y, Wang, C, Wu, Y, Huang, H, Chen, T, Lo, J.M, Chen, X, Ma, C.
Deposit date:2020-07-30
Release date:2020-08-26
Last modified:2025-06-18
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:A Carbohydrate-Binding Protein from the Edible Lablab Beans Effectively Blocks the Infections of Influenza Viruses and SARS-CoV-2.
Cell Rep, 32, 2020
9L04
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BU of 9l04 by Molmil
Crystal structure of human ALK2 kinase domain with R206H mutation in complex with RK783
Descriptor: 4-(1-ethyl-3-pyridin-3-yl-pyrazol-4-yl)-~{N}-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]pyrimidin-2-amine, Activin receptor type-1, SULFATE ION
Authors:Sakai, N, Mishima-Tsumagari, C, Shirouzu, M.
Deposit date:2024-12-11
Release date:2025-06-25
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:A new BMP type 1 receptor kinase inhibitor for safe and efficient oral treatment to prevent genetically induced heterotopic ossification in mice.
Bone, 2025
6IZK
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BU of 6izk by Molmil
Structural characterization of mutated NreA protein in nitrate binding site from Staphylococcus aureus
Descriptor: CHLORIDE ION, IMIDAZOLE, L(+)-TARTARIC ACID, ...
Authors:Sangare, L, Chen, W, Wang, C, Chen, X, Wu, M, Zhang, X, Zang, J.
Deposit date:2018-12-19
Release date:2020-01-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structural characterization of mutated NreA protein in nitrate binding site from Staphylococcus aureus
To Be Published
4YH2
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BU of 4yh2 by Molmil
Glutathione Transferase E6 from Drosophila melanogaster
Descriptor: GLUTATHIONE, Glutathione S transferase E6
Authors:Wongsantichon, J, Robinson, R.C, Ketterman, A.J.
Deposit date:2015-02-26
Release date:2016-02-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Epsilon glutathione transferases possess a unique class-conserved subunit interface motif that directly interacts with glutathione in the active site
Biosci.Rep., 35, 2015

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數據於2025-07-09公開中

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