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7VXF
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BU of 7vxf by Molmil
SARS-CoV-2 spike protein in complex with ACE2, Beta variant, C2B state
分子名称: Angiotensin-converting enzyme 2, Spike glycoprotein
著者Xu, C, Cong, Y.
登録日2021-11-12
公開日2021-12-01
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Conformational dynamics of the Beta and Kappa SARS-CoV-2 spike proteins and their complexes with ACE2 receptor revealed by cryo-EM.
Nat Commun, 12, 2021
7VXE
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BU of 7vxe by Molmil
SARS-CoV-2 Kappa variant spike protein in open state
分子名称: Spike glycoprotein
著者Xu, C, Cong, Y.
登録日2021-11-12
公開日2021-12-01
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Conformational dynamics of the Beta and Kappa SARS-CoV-2 spike proteins and their complexes with ACE2 receptor revealed by cryo-EM.
Nat Commun, 12, 2021
7VXC
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BU of 7vxc by Molmil
SARS-CoV-2 Kappa variant spike protein in C3 state
分子名称: Angiotensin-converting enzyme 2, Spike glycoprotein
著者Xu, C, Cong, Y.
登録日2021-11-12
公開日2021-12-22
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Conformational dynamics of the Beta and Kappa SARS-CoV-2 spike proteins and their complexes with ACE2 receptor revealed by cryo-EM.
Nat Commun, 12, 2021
7VXI
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BU of 7vxi by Molmil
SARS-CoV-2 Kappa variant spike protein in transition state
分子名称: Spike glycoprotein
著者Xu, C, Cong, Y.
登録日2021-11-12
公開日2021-12-22
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Conformational dynamics of the Beta and Kappa SARS-CoV-2 spike proteins and their complexes with ACE2 receptor revealed by cryo-EM.
Nat Commun, 12, 2021
7VXK
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BU of 7vxk by Molmil
SARS-CoV-2 spike protein in complex with ACE2, Beta variant, C2A state
分子名称: Angiotensin-converting enzyme 2, Spike glycoprotein
著者Xu, C, Cong, Y.
登録日2021-11-12
公開日2021-12-22
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Conformational dynamics of the Beta and Kappa SARS-CoV-2 spike proteins and their complexes with ACE2 receptor revealed by cryo-EM.
Nat Commun, 12, 2021
7VXB
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BU of 7vxb by Molmil
SARS-CoV-2 Kappa variant spike protein in C2b state
分子名称: Angiotensin-converting enzyme 2, Spike glycoprotein
著者Xu, C, Cong, Y.
登録日2021-11-12
公開日2021-12-22
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Conformational dynamics of the Beta and Kappa SARS-CoV-2 spike proteins and their complexes with ACE2 receptor revealed by cryo-EM.
Nat Commun, 12, 2021
7VXM
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BU of 7vxm by Molmil
SARS-CoV-2 spike protein in complex with ACE2, Beta variant, C3 state
分子名称: Angiotensin-converting enzyme 2, Spike glycoprotein
著者Xu, C, Cong, Y.
登録日2021-11-12
公開日2022-01-12
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Conformational dynamics of the Beta and Kappa SARS-CoV-2 spike proteins and their complexes with ACE2 receptor revealed by cryo-EM.
Nat Commun, 12, 2021
7U1Z
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BU of 7u1z by Molmil
Crystal structure of the DRBD and CROPs of TcdA
分子名称: SULFATE ION, Toxin A
著者Baohua, C, Peng, C, Kay, P, Rongsheng, J.
登録日2022-02-22
公開日2022-03-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.18 Å)
主引用文献Structure and conformational dynamics of Clostridioides difficile toxin A.
Life Sci Alliance, 5, 2022
7WEV
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BU of 7wev by Molmil
SARS-COV-2 BETA VARIANT SPIKE PROTEIN IN TRANSITION STATE
分子名称: Spike glycoprotein
著者Xu, C, Cong, Y.
登録日2021-12-24
公開日2022-01-26
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Conformational dynamics of the Beta and Kappa SARS-CoV-2 spike proteins and their complexes with ACE2 receptor revealed by cryo-EM.
Nat Commun, 12, 2021
7CJF
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BU of 7cjf by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody heavy chain, ...
著者Guo, Y, Li, X, Zhang, G, Fu, D, Schweizer, L, Zhang, H, Rao, Z.
登録日2020-07-10
公開日2020-11-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.108 Å)
主引用文献A SARS-CoV-2 neutralizing antibody with extensive Spike binding coverage and modified for optimal therapeutic outcomes.
Nat Commun, 12, 2021
6KSQ
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BU of 6ksq by Molmil
Middle Domain of Human HSP90 Alpha
分子名称: Heat shock protein HSP 90-alpha
著者Su, H.X, Zhou, C, Zhang, N.X, Xu, Y.C.
登録日2019-08-25
公開日2020-02-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.202 Å)
主引用文献Allosteric Regulation of Hsp90 alpha's Activity by Small Molecules Targeting the Middle Domain of the Chaperone.
Iscience, 23, 2020
8P1U
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BU of 8p1u by Molmil
Structure of divisome complex FtsWIQLB
分子名称: Cell division protein FtsB, Cell division protein FtsL, Cell division protein FtsQ, ...
著者Yang, L, Chang, S, Tang, D, Dong, H.
登録日2023-05-12
公開日2024-05-22
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural insights into the activation of the divisome complex FtsWIQLB.
Cell Discov, 10, 2024
6FBV
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BU of 6fbv by Molmil
Single particle cryo em structure of Mycobacterium tuberculosis RNA polymerase in complex with Fidaxomicin
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Das, K, Lin, W, Ebright, E.
登録日2017-12-19
公開日2018-02-28
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.52 Å)
主引用文献Structural Basis of Transcription Inhibition by Fidaxomicin (Lipiarmycin A3).
Mol. Cell, 70, 2018
7DEU
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BU of 7deu by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody scFv
著者Zhang, Z, Zhang, G, Li, X, Rao, Z, Guo, Y.
登録日2020-11-05
公開日2021-03-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes.
Plos Biol., 19, 2021
7CKX
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BU of 7ckx by Molmil
Cryo-EM structure of A77636 bound dopamine receptor DRD1-Gs signaling complex
分子名称: (1R,3S)-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1H-isochromene-5,6-diol, CHOLESTEROL, D(1A) dopamine receptor, ...
著者Yan, W, Shao, Z.
登録日2020-07-20
公開日2021-03-03
実験手法ELECTRON MICROSCOPY (3.54 Å)
主引用文献Ligand recognition and allosteric regulation of DRD1-Gs signaling complexes.
Cell, 184, 2021
5WJ6
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BU of 5wj6 by Molmil
Crystal structure of glutaminase C in complex with inhibitor 2-phenyl-N-{5-[4-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}amino)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide (UPGL-00004)
分子名称: 2-phenyl-N-{5-[4-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}amino)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide, Glutaminase kidney isoform, mitochondrial
著者Huang, Q, Cerione, R.A.
登録日2017-07-21
公開日2018-01-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.445 Å)
主引用文献Characterization of the interactions of potent allosteric inhibitors with glutaminase C, a key enzyme in cancer cell glutamine metabolism.
J. Biol. Chem., 293, 2018
5ITA
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BU of 5ita by Molmil
Crystal Structure of BRAF Kinase Domain Bound to AZ-VEM
分子名称: N-{2-cyano-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}propane-1-sulfonamide, Serine/threonine-protein kinase B-raf
著者Wu, Y, Gavathiotis, E.
登録日2016-03-16
公開日2016-08-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献An integrated model of RAF inhibitor action predicts inhibitor activity against oncogenic BRAF signaling
Cancer Cell, 30, 2016
6A7B
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BU of 6a7b by Molmil
AKR1C3 complexed with new inhibitor with novel scaffold
分子名称: (4R)-6-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, Aldo-keto reductase family 1 member C3, DIMETHYLFORMAMIDE, ...
著者Zheng, X, Zhao, Y, Zhang, H, Chen, Y.
登録日2018-07-02
公開日2019-07-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Screening, synthesis, crystal structure, and molecular basis of 6-amino-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitriles as novel AKR1C3 inhibitors.
Bioorg.Med.Chem., 26, 2018
4XH7
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BU of 4xh7 by Molmil
Crystal structure of MUPP1 PDZ4
分子名称: IMIDAZOLE, Multiple PDZ domain protein
著者Liu, Z, Zhu, H, Liu, W.
登録日2015-01-05
公開日2015-03-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Biochemical and structural characterization of MUPP1-PDZ4 domain from Mus musculus.
Acta Biochim.Biophys.Sin., 47, 2015
7DEO
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BU of 7deo by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Spike protein S1, ...
著者Fu, D, Zhang, G, Li, X, Rao, Z, Guo, Y.
登録日2020-11-04
公開日2021-03-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes.
Plos Biol., 19, 2021
7DET
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BU of 7det by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody scFv
著者Wang, Y, Zhang, G, Li, X, Rao, Z, Guo, Y.
登録日2020-11-05
公開日2021-03-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes.
Plos Biol., 19, 2021
7M8W
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BU of 7m8w by Molmil
XFEL crystal structure of the prostaglandin D2 receptor CRTH2 in complex with 15R-methyl-PGD2
分子名称: 15R-methyl-prostaglandin D2, CITRATE ANION, Prostaglandin D2 receptor 2, ...
著者Shiriaeva, A, Han, G.W, Cherezov, V.
登録日2021-03-30
公開日2021-08-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Molecular basis for lipid recognition by the prostaglandin D 2 receptor CRTH2.
Proc.Natl.Acad.Sci.USA, 118, 2021
6KKH
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BU of 6kkh by Molmil
Crystal structure of the oxalate bound malyl-CoA lyase from Roseiflexus castenholzii
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, HpcH/HpaI aldolase, MAGNESIUM ION, ...
著者Tang, W.R, Wang, Z.G, Zhang, C.Y, Wang, C.
登録日2019-07-25
公開日2019-09-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献The C-terminal domain conformational switch revealed by the crystal structure of malyl-CoA lyase from Roseiflexus castenholzii.
Biochem.Biophys.Res.Commun., 518, 2019
7CRH
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BU of 7crh by Molmil
Cryo-EM structure of SKF83959 bound dopamine receptor DRD1-Gs signaling complex
分子名称: (1S)-6-chloranyl-3-methyl-1-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol, D(1A) dopamine receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Yan, W, Shao, Z.H.
登録日2020-08-13
公開日2021-03-03
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Ligand recognition and allosteric regulation of DRD1-Gs signaling complexes.
Cell, 184, 2021
7CKY
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BU of 7cky by Molmil
Cryo-EM structure of PW0464 bound dopamine receptor DRD1-Gs signaling complex
分子名称: 6-[4-[3-[bis(fluoranyl)methoxy]pyridin-2-yl]oxy-2-methyl-phenyl]-1,5-dimethyl-pyrimidine-2,4-dione, CHOLESTEROL, D(1A) dopamine receptor, ...
著者Yan, W, Shao, Z.
登録日2020-07-20
公開日2021-03-03
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Ligand recognition and allosteric regulation of DRD1-Gs signaling complexes.
Cell, 184, 2021

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