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7F4D
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BU of 7f4d by Molmil
Cryo-EM structure of alpha-MSH-bound melanocortin-1 receptor in complex with Gs protein and Nb35
Descriptor: CALCIUM ION, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Ma, S, Chen, Y, Dai, A, Yin, W, Guo, J, Yang, D, Zhou, F, Jiang, Y, Wang, M.-W, Xu, H.E.
Deposit date:2021-06-18
Release date:2021-09-08
Last modified:2022-02-16
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural mechanism of calcium-mediated hormone recognition and G beta interaction by the human melanocortin-1 receptor.
Cell Res., 31, 2021
7F4F
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BU of 7f4f by Molmil
Cryo-EM structure of afamelanotide-bound melanocortin-1 receptor in complex with Gs protein and scFv16
Descriptor: Afamelanotide, CALCIUM ION, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Ma, S, Chen, Y, Dai, A, Yin, W, Guo, J, Yang, D, Zhou, F, Jiang, Y, Wang, M.-W, Xu, H.E.
Deposit date:2021-06-18
Release date:2021-09-08
Last modified:2022-02-16
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural mechanism of calcium-mediated hormone recognition and G beta interaction by the human melanocortin-1 receptor.
Cell Res., 31, 2021
7F3S
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BU of 7f3s by Molmil
Crystal structure of Sth1 Bromodomain in complex with H3K14bz peptide
Descriptor: GLYCEROL, Nuclear protein STH1/NPS1, THR-ALA-ARG-LYS-SER-THR-GLY-GLY-LBZ-ALA-PRO-ARG-LYS-GLN-LEU-ALA-SER-TYR
Authors:Wang, D, Yan, F, Chen, Y.
Deposit date:2021-06-17
Release date:2022-03-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Global profiling of regulatory elements in the histone benzoylation pathway.
Nat Commun, 13, 2022
7F4E
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BU of 7f4e by Molmil
Crystal structure of Hst2 in complex with H3K9bz peptide
Descriptor: Histone H3, NAD-dependent protein deacetylase HST2, ZINC ION
Authors:Wang, D, Yan, F, Chen, Y.
Deposit date:2021-06-18
Release date:2022-03-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Global profiling of regulatory elements in the histone benzoylation pathway.
Nat Commun, 13, 2022
7F5M
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BU of 7f5m by Molmil
Crystal structure of Sas5 YEATS domain in complex with H3K27bz peptide
Descriptor: GLYCEROL, LYS-GLN-LEU-ALA-SER-LYS-ALA-ALA-ARG-LBZ-SER-ALA-PRO-SER-THR-GLY-GLY-VAL-LYS-TYR, Something about silencing protein 5
Authors:Wang, D, Yan, F, Chen, Y.
Deposit date:2021-06-22
Release date:2022-03-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Global profiling of regulatory elements in the histone benzoylation pathway.
Nat Commun, 13, 2022
7F51
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BU of 7f51 by Molmil
Crystal structure of Hst2 in complex with 2'-O-Benzoyl ADP Ribose
Descriptor: NAD-dependent protein deacetylase HST2, ZINC ION, [(2R,3R,4R,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2,4-bis(oxidanyl)oxolan-3-yl] benzoate
Authors:Wang, D, Yan, F, Chen, Y.
Deposit date:2021-06-21
Release date:2022-03-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Global profiling of regulatory elements in the histone benzoylation pathway.
Nat Commun, 13, 2022
7K99
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BU of 7k99 by Molmil
Crystal Structure of P. aeruginosa LpxC with N-Hydroxyformamide inhibitor 19
Descriptor: (hydroxy{(1S)-1-(methylsulfanyl)-2-[5-({4-[(morpholin-4-yl)methyl]phenyl}ethynyl)-1H-benzotriazol-1-yl]ethyl}amino)methanol, GLYCEROL, SULFATE ION, ...
Authors:Sacco, M, Chen, Y.
Deposit date:2020-09-28
Release date:2020-11-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:N-Hydroxyformamide LpxC inhibitors, their in vivo efficacy in a mouse Escherichia coli infection model, and their safety in a rat hemodynamic assay.
Bioorg.Med.Chem., 28, 2020
7K9A
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BU of 7k9a by Molmil
Crystal Structure of P. aeruginosa LpxC with N-Hydroxyformamide inhibitor
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, N-hydroxy-N-[(1R)-2-{5-[(4-{[2-(hydroxymethyl)-1H-imidazol-1-yl]methyl}phenyl)ethynyl]-1H-benzotriazol-1-yl}-1-(methylsulfanyl)ethyl]formamide, ...
Authors:Sacco, M, Chen, Y.
Deposit date:2020-09-29
Release date:2020-11-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:N-Hydroxyformamide LpxC inhibitors, their in vivo efficacy in a mouse Escherichia coli infection model, and their safety in a rat hemodynamic assay.
Bioorg.Med.Chem., 28, 2020
7F8E
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BU of 7f8e by Molmil
Crystal structure of YggS from Fusobacterium nucleatum
Descriptor: Pyridoxal phosphate homeostasis protein, SULFATE ION
Authors:Wang, L, Chen, Y, Bu, T, Bai, X.
Deposit date:2021-07-02
Release date:2022-01-12
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Crystal structure of YggS from Fusobacterium nucleatum
To Be Published
7FBI
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BU of 7fbi by Molmil
Cryo-EM structure of EBV gB in complex with nAbs 3A3 and 3A5
Descriptor: 3A3 heavy chain, 3A3 light chain, 3A5 heavy chain, ...
Authors:Zheng, Q, Li, S, Zha, Z, Hong, J, Chen, Y, Zhang, X.
Deposit date:2021-07-10
Release date:2022-07-13
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Cryo-EM structure of EBV gB in complex with nAbs 3A3 and 3A5
To Be Published
7K65
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BU of 7k65 by Molmil
Hedgehog receptor Patched (PTCH1) in complex with conformation selective nanobody TI23
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-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ...
Authors:Zhang, Y, Bulkley, D.P, Liang, J, Manglik, A, Cheng, Y, Beachy, P.A.
Deposit date:2020-09-18
Release date:2021-03-17
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Hedgehog pathway activation through nanobody-mediated conformational blockade of the Patched sterol conduit.
Proc.Natl.Acad.Sci.USA, 117, 2020
8HGW
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BU of 8hgw by Molmil
Crystal structure of MehpH in complex with MBP
Descriptor: 1-BUTANOL, Monoalkyl phthalate hydrolase, PHTHALIC ACID
Authors:Zhang, Z.M, Wang, Y.J, Chen, Y.B.
Deposit date:2022-11-15
Release date:2023-03-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.80001163 Å)
Cite:Molecular insights into the catalytic mechanism of plasticizer degradation by a monoalkyl phthalate hydrolase.
Commun Chem, 6, 2023
8HGV
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BU of 8hgv by Molmil
Crystal structure of monoalkyl phthalate hydrolase MehpH
Descriptor: Monoethylhexylphthalate hydrolase
Authors:Zhang, Z.M, Wang, Y.J, Chen, Y.B.
Deposit date:2022-11-15
Release date:2023-03-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.30006242 Å)
Cite:Molecular insights into the catalytic mechanism of plasticizer degradation by a monoalkyl phthalate hydrolase.
Commun Chem, 6, 2023
7UJA
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BU of 7uja by Molmil
Cryo-EM structure of Human respiratory syncytial virus F variant (construct pXCS847A)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, AM14 Fab heavy chain, AM14 Fab light chain, ...
Authors:Lees, J.A, Ammirati, M, Han, S.
Deposit date:2022-03-30
Release date:2023-04-19
Last modified:2023-05-10
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Rational design of a highly immunogenic prefusion-stabilized F glycoprotein antigen for a respiratory syncytial virus vaccine.
Sci Transl Med, 15, 2023
7UJ3
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BU of 7uj3 by Molmil
Crystal structure of Human respiratory syncytial virus F variant (construct pXCS847A)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, RSV variant (construct pXCS847A) F1, RSV variant (construct pXCS847A) F2, ...
Authors:Han, S, Ammirati, M.
Deposit date:2022-03-30
Release date:2023-04-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Rational design of a highly immunogenic prefusion-stabilized F glycoprotein antigen for a respiratory syncytial virus vaccine.
Sci Transl Med, 15, 2023
4WTU
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BU of 4wtu by Molmil
Crystal structure of BACE1 in complex with 2-aminooxazoline 3-aza-4-fluoro-xanthene inhibitor 22
Descriptor: (5S)-3-(5,6-dihydro-2H-pyran-3-yl)-1-fluoro-7-(2-fluoropyridin-3-yl)spiro[chromeno[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine, Beta-secretase 1, GLYCEROL, ...
Authors:Whittington, D.A, Long, A.M.
Deposit date:2014-10-30
Release date:2015-03-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:An Orally Available BACE1 Inhibitor That Affords Robust CNS A beta Reduction without Cardiovascular Liabilities.
Acs Med.Chem.Lett., 6, 2015
8CMF
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BU of 8cmf by Molmil
Human Leukocyte Antigen class II allotype DR1 presenting SARS-CoV-2 nsp3 epitope (orf1ab)1350-1364
Descriptor: 1,2-ETHANEDIOL, HLA class II histocompatibility antigen, DR alpha chain, ...
Authors:MacLachlan, B.J, Mason, G.H, Sourfield, D.O, Godkin, A.J, Rizkallah, P.J.
Deposit date:2023-02-19
Release date:2023-07-26
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural definition of HLA class II-presented SARS-CoV-2 epitopes reveals a mechanism to escape pre-existing CD4 + T cell immunity.
Cell Rep, 42, 2023
8CMI
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BU of 8cmi by Molmil
Human Leukocyte Antigen class II allotype DR1 presenting SARS-CoV-2 Omicron (BA.1) Spike peptide S761-775
Descriptor: 1,2-ETHANEDIOL, HLA class II histocompatibility antigen, DR alpha chain, ...
Authors:MacLachlan, B.J, Mason, G.H, Sourfield, D.O, Godkin, A.J, Rizkallah, P.J.
Deposit date:2023-02-19
Release date:2023-07-26
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural definition of HLA class II-presented SARS-CoV-2 epitopes reveals a mechanism to escape pre-existing CD4 + T cell immunity.
Cell Rep, 42, 2023
8CMD
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BU of 8cmd by Molmil
Human Leukocyte Antigen class II allotype DR1 presenting SARS-CoV-2 Spike peptide S761-775
Descriptor: 1,2-ETHANEDIOL, HLA class II histocompatibility antigen, DR alpha chain, ...
Authors:MacLachlan, B.J, Mason, G.H, Sourfield, D.O, Godkin, A.J, Rizkallah, P.J.
Deposit date:2023-02-19
Release date:2023-07-26
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Structural definition of HLA class II-presented SARS-CoV-2 epitopes reveals a mechanism to escape pre-existing CD4 + T cell immunity.
Cell Rep, 42, 2023
8CMH
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BU of 8cmh by Molmil
Human Leukocyte Antigen class II allotype DR1 presenting SARS-CoV-2 Omicron (BA.1) Spike peptide S486-505
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-ETHANETHIOL, HLA class II histocompatibility antigen, ...
Authors:MacLachlan, B.J, Mason, G.H, Sourfield, D.O, Godkin, A.J, Rizkallah, P.J.
Deposit date:2023-02-19
Release date:2023-07-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structural definition of HLA class II-presented SARS-CoV-2 epitopes reveals a mechanism to escape pre-existing CD4 + T cell immunity.
Cell Rep, 42, 2023
8CME
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BU of 8cme by Molmil
Human Leukocyte Antigen class II allotype DR1 presenting SARS-CoV-2 Membrane peptide M176-190
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, HLA class II histocompatibility antigen, ...
Authors:MacLachlan, B.J, Mason, G.H, Sourfield, D.O, Godkin, A.J, Rizkallah, P.J.
Deposit date:2023-02-19
Release date:2023-07-26
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structural definition of HLA class II-presented SARS-CoV-2 epitopes reveals a mechanism to escape pre-existing CD4 + T cell immunity.
Cell Rep, 42, 2023
8CMB
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BU of 8cmb by Molmil
Human Leukocyte Antigen class II allotype DR1 presenting SARS-CoV-2 Spike peptide S486-505
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-ETHANETHIOL, HLA class II histocompatibility antigen, ...
Authors:MacLachlan, B.J, Mason, G.H, Godkin, A.J, Rizkallah, P.J.
Deposit date:2023-02-19
Release date:2023-07-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structural definition of HLA class II-presented SARS-CoV-2 epitopes reveals a mechanism to escape pre-existing CD4 + T cell immunity.
Cell Rep, 42, 2023
8CMC
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BU of 8cmc by Molmil
Human Leukocyte Antigen class II allotype DR1 presenting SARS-CoV-2 Spike peptide S511-530
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, HLA class II histocompatibility antigen, ...
Authors:MacLachlan, B.J, Mason, G.H, Sourfield, D.O, Godkin, A.J, Rizkallah, P.J.
Deposit date:2023-02-19
Release date:2023-07-26
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Structural definition of HLA class II-presented SARS-CoV-2 epitopes reveals a mechanism to escape pre-existing CD4 + T cell immunity.
Cell Rep, 42, 2023
8CMG
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BU of 8cmg by Molmil
Human Leukocyte Antigen class II allotype DR1 presenting SARS-CoV-2 nsp14 peptide (orf1ab)6420-6434
Descriptor: 1,2-ETHANEDIOL, HLA class II histocompatibility antigen, DR alpha chain, ...
Authors:MacLachlan, B.J, Mason, G.H, Sourfield, D.O, Godkin, A.J, Rizkallah, P.J.
Deposit date:2023-02-19
Release date:2023-07-26
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structural definition of HLA class II-presented SARS-CoV-2 epitopes reveals a mechanism to escape pre-existing CD4 + T cell immunity.
Cell Rep, 42, 2023
6LLN
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BU of 6lln by Molmil
citronellol catabolism dehydrogenase (AtuB) [Pseudomonas aeruginosa PAO1]
Descriptor: Putative dehydrogenase involved in catabolism of citronellol
Authors:Zhang, Q, Bartlam, M.
Deposit date:2019-12-23
Release date:2020-02-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural characterization of the Pseudomonas aeruginosa dehydrogenase AtuB involved in citronellol and geraniol catabolism.
Biochem.Biophys.Res.Commun., 523, 2020

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数据于2024-08-07公开中

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