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8AR0
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BU of 8ar0 by Molmil
Solution structure of TLR2 transmembrane and cytoplasmic juxtamembrane regions
Descriptor: Toll-like receptor 2
Authors:Kornilov, F.D, Shabalkina, A.V, Goncharuk, M.V, Goncharuk, S.A, Arseniev, A.S, Mineev, K.S.
Deposit date:2022-08-15
Release date:2023-03-22
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:The architecture of transmembrane and cytoplasmic juxtamembrane regions of Toll-like receptors.
Nat Commun, 14, 2023
8AR2
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BU of 8ar2 by Molmil
Solution structure of TLR5 transmembrane and cytoplasmic juxtamembrane regions
Descriptor: Toll-like receptor 5
Authors:Shabalkina, A.V, Kornilov, F.D, Goncharuk, M.V, Goncharuk, S.A, Arseniev, A.S, Mineev, K.S.
Deposit date:2022-08-15
Release date:2023-03-22
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:The architecture of transmembrane and cytoplasmic juxtamembrane regions of Toll-like receptors.
Nat Commun, 14, 2023
8AR1
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BU of 8ar1 by Molmil
Solution structure of TLR3 transmembrane and cytoplasmic juxtamembrane regions
Descriptor: Toll-like receptor 3
Authors:Kornilov, F.D, Shabalkina, A.V, Goncharuk, M.V, Goncharuk, S.A, Arseniev, A.S, Mineev, K.S.
Deposit date:2022-08-15
Release date:2023-03-22
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:The architecture of transmembrane and cytoplasmic juxtamembrane regions of Toll-like receptors.
Nat Commun, 14, 2023
8A53
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BU of 8a53 by Molmil
Crystal structure of AtMCA-IIf C147A (metacaspase 9) from Arabidopsis thaliana
Descriptor: Metacaspase-9, NITRATE ION
Authors:Sabljic, I, Stael, S, Stahlberg, J, Bozhkov, P.
Deposit date:2022-06-14
Release date:2023-05-31
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-function study of a Ca 2+ -independent metacaspase involved in lateral root emergence.
Proc.Natl.Acad.Sci.USA, 120, 2023
7EI3
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BU of 7ei3 by Molmil
Crystal structure of MasL, a thiolase from Massilia sp. YMA4
Descriptor: Acetyl-CoA C-acyltransferase
Authors:Lin, C.C, Huang, K.F, Yang, Y.L.
Deposit date:2021-03-30
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Integrated omics approach to unveil antifungal bacterial polyynes as acetyl-CoA acetyltransferase inhibitors.
Commun Biol, 5, 2022
7EI4
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BU of 7ei4 by Molmil
Crystal structure of MasL in complex with a novel covalent inhibitor, collimonin C
Descriptor: (6S,7R,9E)-6,7-bis(oxidanyl)hexadeca-9,15-dien-11,13-diynoic acid, Acetyl-CoA C-acyltransferase
Authors:Lin, C.C, Huang, K.F, Yang, Y.L.
Deposit date:2021-03-30
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Integrated omics approach to unveil antifungal bacterial polyynes as acetyl-CoA acetyltransferase inhibitors.
Commun Biol, 5, 2022
7F7N
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BU of 7f7n by Molmil
Solution structure of apo-WhiB4 from Mycobacterium tuberculosis
Descriptor: Transcriptional regulator WhiB4
Authors:Xia, B, Duan, B.
Deposit date:2021-06-30
Release date:2021-11-10
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:DNA binding mechanism of WhiB4 from Mycobacterium tuberculosis
Magn Reson Lett, 2, 2022
2P59
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BU of 2p59 by Molmil
Crystal Structure of Hepatitis C Virus NS3.4A protease
Descriptor: (2S,3AS,7AS)-1-[(2S)-2-{[(2S)-2-CYCLOHEXYL-2-({[(2R)-4-NITRO-2H-PYRROL-2-YL]CARBONYL}AMINO)ACETYL]AMINO}-3,3-DIMETHYLBUTANOYL]-N-{(1S)-1-[(1R)-2-(CYCLOPROPYLAMINO)-1-HYDROXY-2-OXOETHYL]BUTYL}OCTAHYDRO-1H-INDOLE-2-CARBOXAMIDE, NS3, peptide
Authors:Perni, R.B, Wei, Y.
Deposit date:2007-03-14
Release date:2008-02-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Inhibitors of hepatitis C virus NS3.4A protease. Effect of P4 capping groups on inhibitory potency and pharmacokinetics.
Bioorg.Med.Chem.Lett., 17, 2007
4CLC
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BU of 4clc by Molmil
Crystal structure of Ybr137w protein
Descriptor: UPF0303 PROTEIN YBR137W
Authors:Yeh, Y.-H, Lin, T.-W, Lin, C.-Y, Hsiao, C.-D.
Deposit date:2014-01-14
Release date:2014-11-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and Functional Characterization of Ybr137Wp Implicate its Involvement in the Targeting of Tail-Anchored Proteins to Membranes.
Mol.Cell.Biol., 34, 2014
4M8Z
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BU of 4m8z by Molmil
Crystal Structure of SFH3, a phosphatidylinositol transfer protein that integrates phosphoinositide signaling with lipid droplet metabolism
Descriptor: Phosphatidylinositol transfer protein PDR16
Authors:Ortlund, E.O, Pathak, M.C.
Deposit date:2013-08-14
Release date:2014-09-10
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (1.928 Å)
Cite:A phosphatidylinositol transfer protein integrates phosphoinositide signaling with lipid droplet metabolism to regulate a developmental program of nutrient stress-induced membrane biogenesis.
Mol Biol Cell, 25, 2014
7SND
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BU of 7snd by Molmil
Pacifastin related protease inhibitors
Descriptor: GLYCEROL, PHOSPHATE ION, Pacifastin-related peptide
Authors:Gewe, M.M, Strong, R.K.
Deposit date:2021-10-27
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Ex silico engineering of cystine-dense peptides yielding a potent bispecific T cell engager.
Sci Transl Med, 14, 2022
7SNC
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BU of 7snc by Molmil
Pacifastin related protease inhibitors
Descriptor: Protease inhibitor
Authors:Gewe, M.M, Strong, R.K.
Deposit date:2021-10-27
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Ex silico engineering of cystine-dense peptides yielding a potent bispecific T cell engager.
Sci Transl Med, 14, 2022
7ZR3
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BU of 7zr3 by Molmil
STRUCTURE OF ESTER-HYDROLASE EH0 FROM THE METAGENOME OF SORGHUM BICOLOR RHIZOSPHERE FROM THE HENFAES RESEARCH CENTRE (GWYNEDD, WALES)
Descriptor: ACETATE ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Cea-Rama, I, Sanz-Aparicio, J.
Deposit date:2022-05-03
Release date:2022-12-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:The Mobility of the Cap Domain Is Essential for the Substrate Promiscuity of a Family IV Esterase from Sorghum Rhizosphere Microbiome.
Appl.Environ.Microbiol., 89, 2023
7ASJ
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BU of 7asj by Molmil
Crystal structure for the complex of human carbonic anhydrase II and 3-(3-methyl-3-phenethylureido)benzenesulfonamide
Descriptor: 3-(3-methyl-3-phenethylureido)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2020-10-27
Release date:2021-11-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:One-Pot Procedure for the Synthesis of Asymmetric Substituted Ureido Benzene Sulfonamides as Effective Inhibitors of Carbonic Anhydrase Enzymes.
J.Med.Chem., 65, 2022
7T0O
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BU of 7t0o by Molmil
cryoEM reconstruction of the HIV gp140 in complex with the extracellular domains of CD4 and the adnectin domain of Combinectin. The gp140 and CD4 coordinates from entry 6EDU were rigid body fitted to the EM map along withe the crystal structure of CD4+adnectin
Descriptor: Adnectin, BG505 SOSIP.664 gp140, T-cell surface glycoprotein CD4
Authors:Concha, N.O, William, S.P, Wenzel, D.L.
Deposit date:2021-11-30
Release date:2022-01-12
Method:ELECTRON MICROSCOPY (8.7 Å)
Cite:Novel Bent Conformation of CD4 Induced by HIV-1 Inhibitor Indirectly Prevents Productive Viral Attachment.
J.Mol.Biol., 434, 2021
7T0R
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BU of 7t0r by Molmil
Crystal structure of the anti-CD4 adnectin 6940_B01 as a complex with the extracellular domains of CD4 and ibalizumab fAb
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Adnectin 6940_B01, Ibalizumab Heavy Chain, ...
Authors:Williams, S.P, Concha, N.O, Wensel, D.L, Hong, X.
Deposit date:2021-11-30
Release date:2022-01-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.65 Å)
Cite:Novel Bent Conformation of CD4 Induced by HIV-1 Inhibitor Indirectly Prevents Productive Viral Attachment.
J.Mol.Biol., 434, 2021
7SV8
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BU of 7sv8 by Molmil
Carbonic Anhydrase IX-mimic Complexed with 3-((2-((Furan-2-ylmethyl)(4-sulfamoylphenethyl)amino)-2-oxoethyl)(phenethyl)amino)propanoic acid
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, N-(2-{[(naphthalen-2-yl)methyl][2-(4-sulfamoylphenyl)ethyl]amino}-2-oxoethyl)-N-(2-phenylethyl)-beta-alanine, ...
Authors:Combs, J.E, McKenna, R.
Deposit date:2021-11-18
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.388 Å)
Cite:The three-tails approach as a new strategy to improve selectivity of action of sulphonamide inhibitors against tumour-associated carbonic anhydrase IX and XII.
J Enzyme Inhib Med Chem, 37, 2022
7SUW
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BU of 7suw by Molmil
Carbonic Anhydrase IX-mimic with 2-((3-Aminopropyl)(phenethyl)amino)-N-(furan-2-ylmethyl)-N-(4-sulfamoylphenethyl)acetamide
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, N-(2-{[(furan-2-yl)methyl][2-(4-sulfamoylphenyl)ethyl]amino}-2-oxoethyl)-N-(2-phenylethyl)-beta-alanine, ...
Authors:McKenna, R, Combs, J.E.
Deposit date:2021-11-18
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.456 Å)
Cite:The three-tails approach as a new strategy to improve selectivity of action of sulphonamide inhibitors against tumour-associated carbonic anhydrase IX and XII.
J Enzyme Inhib Med Chem, 37, 2022
7SV1
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BU of 7sv1 by Molmil
Carbonic Anhydrase IX-mimic Complexed with 3-((2-((Naphthalen-2-ylmethyl)(4-sulfamoylphenethyl)amino)-2-oxoethyl)(phenethyl)amino)propanoic acid
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, N~2~-(3-aminopropyl)-N-[(4-fluorophenyl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide, ...
Authors:Combs, J.E, McKenna, R.
Deposit date:2021-11-18
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.559 Å)
Cite:The three-tails approach as a new strategy to improve selectivity of action of sulphonamide inhibitors against tumour-associated carbonic anhydrase IX and XII.
J Enzyme Inhib Med Chem, 37, 2022
7SUY
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BU of 7suy by Molmil
Carbonic Anhydrase IX-mimic Complexed with 2-((3-Aminopropyl)(phenethyl)amino)-N-(4-fluorobenzyl)-N-(4-sulfamoylphenethyl)acetamide
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, N-[(furan-2-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide, ...
Authors:Combs, J.E, McKenna, R.
Deposit date:2021-11-18
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.405 Å)
Cite:The three-tails approach as a new strategy to improve selectivity of action of sulphonamide inhibitors against tumour-associated carbonic anhydrase IX and XII.
J Enzyme Inhib Med Chem, 37, 2022
7E6R
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BU of 7e6r by Molmil
Crystal structure of HCoV-NL63 3C-like protease,pH5.6
Descriptor: 3C-like proteinase
Authors:Gao, H.X, Zhang, Y.T, Zhong, F.L, Zhou, X.L, Li, J, Zhang, J.
Deposit date:2021-02-23
Release date:2021-10-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of human coronavirus NL63 main protease at different pH values
Acta Crystallogr.,Sect.F, 77, 2021
7E6L
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BU of 7e6l by Molmil
Crystal structure of HCoV-NL63 3C-like protease,pH5.0
Descriptor: 3C-like proteinase
Authors:Gao, H.X, Zhang, Y.T, Zhou, X.L, Zhong, F.L, Li, J, Zhang, J.
Deposit date:2021-02-22
Release date:2021-10-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.78037143 Å)
Cite:Crystal structures of human coronavirus NL63 main protease at different pH values
Acta Crystallogr.,Sect.F, 77, 2021
7E6M
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BU of 7e6m by Molmil
Crystal structure of Human coronavirus NL63 3C-like protease
Descriptor: 3C-like proteinase
Authors:Gao, H.X, Zhang, Y.T, Zhong, F.L, Zhou, X.L, Li, J, Zhang, J.
Deposit date:2021-02-22
Release date:2021-10-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.83445024 Å)
Cite:Crystal structures of human coronavirus NL63 main protease at different pH values
Acta Crystallogr.,Sect.F, 77, 2021
7E6N
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Crystal structure of HCoV-NL63 3C-like protease,pH5.2
Descriptor: 3C-like proteinase
Authors:Gao, H.X, Zhang, Y.T, Zhou, X.L, Zhong, F.L, Li, J, Zhang, J.
Deposit date:2021-02-22
Release date:2021-10-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8413 Å)
Cite:Crystal structures of human coronavirus NL63 main protease at different pH values
Acta Crystallogr.,Sect.F, 77, 2021
7EO7
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BU of 7eo7 by Molmil
Crystal structure of HCoV-NL63 3C-like protease in complex with an inhibitor Shikonin
Descriptor: 2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione, 3C-like proteinase
Authors:Gao, H.X, Zhang, Y.T, Zhou, X.L, Zhong, F.L, Li, J, Zhang, J.
Deposit date:2021-04-21
Release date:2021-10-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.24916625 Å)
Cite:Structure-Based Discovery and Structural Basis of a Novel Broad-Spectrum Natural Product against the Main Protease of Coronavirus.
J.Virol., 96, 2022

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数据于2024-07-24公开中

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