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4X6N
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BU of 4x6n by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR 1-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro-2-(1H-tetrazol-1-yl)benzyl]urea
Descriptor: 1,2-ETHANEDIOL, 1-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro-2-(1H-tetrazol-1-yl)benzyl]urea, Coagulation factor XI, ...
Authors:Wei, A.
Deposit date:2014-12-08
Release date:2015-02-18
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-based design of inhibitors of coagulation factor XIa with novel P1 moieties.
Bioorg.Med.Chem.Lett., 25, 2015
6Q2N
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BU of 6q2n by Molmil
Cryo-EM structure of RET/GFRa1/GDNF extracellular complex
Descriptor: CALCIUM ION, GDNF family receptor alpha-1, Glial cell line-derived neurotrophic factor, ...
Authors:Li, J, Shang, G.J, Chen, Y.J, Brautigam, C.A, Liou, J, Zhang, X.W, Bai, X.C.
Deposit date:2019-08-08
Release date:2019-10-02
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Cryo-EM analyses reveal the common mechanism and diversification in the activation of RET by different ligands.
Elife, 8, 2019
8W4P
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BU of 8w4p by Molmil
Structure of PSII-FCPII-I/J/K complex in the PSII-FCPII supercomplex from Cyclotella meneghiniana
Descriptor: (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate, CHLOROPHYLL A, ...
Authors:Shen, L.L, Li, Z.H, Shen, J.R, Wang, W.D.
Deposit date:2023-08-24
Release date:2023-12-20
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.48 Å)
Cite:Structural insights into photosystem II supercomplex and trimeric FCP antennae of a centric diatom Cyclotella meneghiniana.
Nat Commun, 14, 2023
8W4O
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BU of 8w4o by Molmil
Structure of PSII-FCPII-G/H complex in the PSII-FCPII supercomplex from Cyclotella meneghiniana
Descriptor: (1~{R})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]cyclohex-3-en-1-ol, (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate, ...
Authors:Shen, L.L, Li, Z.H, Shen, J.R, Wang, W.D.
Deposit date:2023-08-24
Release date:2023-12-20
Last modified:2025-06-18
Method:ELECTRON MICROSCOPY (3.23 Å)
Cite:Structural insights into photosystem II supercomplex and trimeric FCP antennae of a centric diatom Cyclotella meneghiniana.
Nat Commun, 14, 2023
8WCK
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BU of 8wck by Molmil
FCP tetramer in Chaetoceros gracilis
Descriptor: (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate, CHLOROPHYLL A, Chlorophyll a/b-binding protein, ...
Authors:Feng, Y, Li, Z, Zhou, C, Shen, J.-R, Liu, C, Wang, W.
Deposit date:2023-09-12
Release date:2024-07-31
Last modified:2024-11-27
Method:ELECTRON MICROSCOPY (2.71 Å)
Cite:Structural and spectroscopic insights into fucoxanthin chlorophyll a/c-binding proteins of diatoms in diverse oligomeric states.
Plant Commun., 5, 2024
8WCL
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BU of 8wcl by Molmil
FCP pentamer in Chaetoceros gracilis
Descriptor: (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, CHLOROPHYLL A, ...
Authors:Feng, Y, Li, Z, Zhou, C, Liu, C, Shen, J.-R, Wang, W.
Deposit date:2023-09-12
Release date:2024-07-31
Last modified:2024-11-27
Method:ELECTRON MICROSCOPY (2.65 Å)
Cite:Structural and spectroscopic insights into fucoxanthin chlorophyll a/c-binding proteins of diatoms in diverse oligomeric states.
Plant Commun., 5, 2024
6PLG
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BU of 6plg by Molmil
Crystal structure of human PHGDH complexed with Compound 15
Descriptor: (2S)-(4-{3-[(4,5-dichloro-1-methyl-1H-indole-2-carbonyl)amino]oxetan-3-yl}phenyl)(pyridin-3-yl)acetic acid, D-3-phosphoglycerate dehydrogenase, D-MALATE
Authors:Olland, A, Lakshminarasimhan, D, White, A, Suto, R.K.
Deposit date:2019-06-30
Release date:2019-07-24
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Inhibition of 3-phosphoglycerate dehydrogenase (PHGDH) by indole amides abrogates de novo serine synthesis in cancer cells.
Bioorg.Med.Chem.Lett., 29, 2019
6PLF
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BU of 6plf by Molmil
Crystal structure of human PHGDH complexed with Compound 1
Descriptor: 1,2-ETHANEDIOL, 4-{(1S)-1-[(5-chloro-6-{[(5S)-2-oxo-1,3-oxazolidin-5-yl]methoxy}-1H-indole-2-carbonyl)amino]-2-hydroxyethyl}benzoic acid, D-3-phosphoglycerate dehydrogenase
Authors:Olland, A, Lakshminarasimhan, D, White, A, Suto, R.K.
Deposit date:2019-06-30
Release date:2019-07-24
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Inhibition of 3-phosphoglycerate dehydrogenase (PHGDH) by indole amides abrogates de novo serine synthesis in cancer cells.
Bioorg.Med.Chem.Lett., 29, 2019
8YX3
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BU of 8yx3 by Molmil
Crystal Structure of SARS CoV-2 Papain-like Protease PLpro-C111S in Complex with GZNL-P28
Descriptor: Papain-like protease nsp3, ~{N}-[1-(1,2-dihydroacenaphthylen-5-yl)cyclopropyl]-5-[(3~{S})-4-ethyl-3-methyl-piperazin-1-yl]-2-methyl-benzamide
Authors:Lu, Y, Shang, J.
Deposit date:2024-04-02
Release date:2024-12-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of orally bioavailable SARS-CoV-2 papain-like protease inhibitor as a potential treatment for COVID-19.
Nat Commun, 15, 2024
8YX4
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BU of 8yx4 by Molmil
Crystal Structure of SARS CoV-2 Papain-like Protease PLpro-C111S in Complex with GZNL-P31
Descriptor: 2-methyl-~{N}-[1-(1-methyl-2-oxidanylidene-benzo[cd]indol-6-yl)cyclopropyl]-5-[3-(4-methyl-4-oxidanyl-piperidin-1-yl)azetidin-1-yl]benzamide, CADMIUM ION, CHLORIDE ION, ...
Authors:Lu, Y, Shang, J.
Deposit date:2024-04-02
Release date:2024-12-04
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Discovery of orally bioavailable SARS-CoV-2 papain-like protease inhibitor as a potential treatment for COVID-19.
Nat Commun, 15, 2024
8YX2
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BU of 8yx2 by Molmil
Crystal Structure of SARS CoV-2 Papain-like Protease PLpro-C111S in Complex with GZNL-P4
Descriptor: Papain-like protease nsp3, ZINC ION, ~{N}-[1-(1,2-dihydroacenaphthylen-5-yl)cyclopropyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide
Authors:Lu, Y, Shang, J.
Deposit date:2024-04-02
Release date:2024-12-04
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Discovery of orally bioavailable SARS-CoV-2 papain-like protease inhibitor as a potential treatment for COVID-19.
Nat Commun, 15, 2024
8YX5
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BU of 8yx5 by Molmil
Crystal Structure of SARS CoV-2 Papain-like Protease PLpro-C111S in Complex with GZNL-P35
Descriptor: 5-[(1~{R},5~{S})-3,6-diazabicyclo[3.1.1]heptan-3-yl]-2-methyl-~{N}-[1-(1-methyl-2-oxidanylidene-benzo[cd]indol-6-yl)cyclopropyl]benzamide, GLYCEROL, Papain-like protease nsp3, ...
Authors:Lu, Y, Shang, J.
Deposit date:2024-04-02
Release date:2024-12-04
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Discovery of orally bioavailable SARS-CoV-2 papain-like protease inhibitor as a potential treatment for COVID-19.
Nat Commun, 15, 2024
9IXS
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BU of 9ixs by Molmil
Crystal structure of TEAD3 YAP binding domain with compound 1
Descriptor: Transcriptional enhancer factor TEF-5, ~{N}-[(1~{S})-1-phenylethyl]-5-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1~{H}-isoquinoline-2-carboxamide
Authors:Yoo, Y.
Deposit date:2024-07-29
Release date:2025-04-16
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Structure-based optimization of TEAD inhibitors: Exploring a novel subpocket near Glu347 for the treatment of NF2-mutant cancer.
Bioorg.Chem., 159, 2025
9IXT
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BU of 9ixt by Molmil
Crystal structure of TEAD3 YAP binding domain with compound 2
Descriptor: Transcriptional enhancer factor TEF-5, ~{N}-[(1~{S})-4-azanyl-4-oxidanylidene-1-phenyl-butyl]-5-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1~{H}-isoquinoline-2-carboxamide
Authors:Yoo, Y.
Deposit date:2024-07-29
Release date:2025-04-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-based optimization of TEAD inhibitors: Exploring a novel subpocket near Glu347 for the treatment of NF2-mutant cancer.
Bioorg.Chem., 159, 2025
4WXI
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BU of 4wxi by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR trans-N-{(1S)-1-[4-(3-amino-2H-indazol-6-yl)pyridin-2-yl]-2-phenylethyl}-4-(aminomethyl)cyclohexanecarboxamide
Descriptor: 1,2-ETHANEDIOL, COAGULATION FACTOR XI, LIGHT CHAIN, ...
Authors:Wei, A.
Deposit date:2014-11-13
Release date:2015-01-28
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Pyridine and pyridinone-based factor XIa inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
9CNY
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BU of 9cny by Molmil
CryoEM structure of the APO-BAM complex in SMA nanodisc
Descriptor: Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ...
Authors:Sun, D, Tegunov, D, Payandeh, J.
Deposit date:2024-07-15
Release date:2024-12-25
Method:ELECTRON MICROSCOPY (4 Å)
Cite:The discovery and structural basis of two distinct state-dependent inhibitors of BamA.
Nat Commun, 15, 2024
9CNZ
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BU of 9cnz by Molmil
Structure of BAM complexed with PTB2 ligand in detergent
Descriptor: Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ...
Authors:Sun, D, Tegunov, D, Payandeh, J.
Deposit date:2024-07-15
Release date:2024-12-25
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:The discovery and structural basis of two distinct state-dependent inhibitors of BamA.
Nat Commun, 15, 2024
9CNX
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BU of 9cnx by Molmil
CryoEM structure of BAM in complex with the PTB1 closed-state inhibitor (in DDM detergent)
Descriptor: Circular peptide, Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, ...
Authors:Sun, D, Tegunov, D, Payandeh, J.
Deposit date:2024-07-15
Release date:2024-12-25
Method:ELECTRON MICROSCOPY (3.55 Å)
Cite:The discovery and structural basis of two distinct state-dependent inhibitors of BamA.
Nat Commun, 15, 2024
9CNW
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BU of 9cnw by Molmil
CryoEM structure of the APO-BAM complex in DDM detergent
Descriptor: Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ...
Authors:Sun, D, Tegunov, D, Payandeh, J.
Deposit date:2024-07-15
Release date:2024-12-25
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:The discovery and structural basis of two distinct state-dependent inhibitors of BamA.
Nat Commun, 15, 2024
9CO0
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BU of 9co0 by Molmil
CryoEM structure of BAM in complex with the PTB2 open-state inhibitor (in SMA nanodisc)
Descriptor: Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ...
Authors:Sun, D, Tegunov, D, Payandeh, J.
Deposit date:2024-07-15
Release date:2024-12-25
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:The discovery and structural basis of two distinct state-dependent inhibitors of BamA.
Nat Commun, 15, 2024
9CO2
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BU of 9co2 by Molmil
Crystal structure of BamA in complex with the PTB2 open-state inhibitor (anisotropic data set)
Descriptor: Outer membrane protein assembly factor BamA, PTB2 circular peptide
Authors:Sun, D, Payandeh, J.
Deposit date:2024-07-16
Release date:2025-01-15
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:The discovery and structural basis of two distinct state-dependent inhibitors of BamA.
Nat Commun, 15, 2024
6A2W
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BU of 6a2w by Molmil
Crystal structure of fucoxanthin chlorophyll a/c complex from Phaeodactylum tricornutum
Descriptor: (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
Authors:Wang, W, Yu, L.J, Kuang, T.Y, Shen, J.R.
Deposit date:2018-06-13
Release date:2019-02-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for blue-green light harvesting and energy dissipation in diatoms.
Science, 363, 2019
6W38
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BU of 6w38 by Molmil
Crystal structure of the FAM46C/Plk4 complex
Descriptor: Serine/threonine-protein kinase PLK4, Terminal nucleotidyltransferase 5C
Authors:Chen, H, Lu, D.F, Shang, G.J, Zhang, X.W.
Deposit date:2020-03-09
Release date:2020-05-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (4.48 Å)
Cite:Structural and Functional Analyses of the FAM46C/Plk4 Complex.
Structure, 28, 2020
6W3J
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BU of 6w3j by Molmil
Crystal structure of the FAM46C/Plk4/Cep192 complex
Descriptor: Centrosomal protein of 192 kDa, Serine/threonine-protein kinase PLK4, Terminal nucleotidyltransferase 5C
Authors:Chen, H, Lu, D.F, Shang, G.J, Zhang, X.W.
Deposit date:2020-03-09
Release date:2020-05-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (4.385 Å)
Cite:Structural and Functional Analyses of the FAM46C/Plk4 Complex.
Structure, 28, 2020
6W36
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BU of 6w36 by Molmil
Crystal structure of FAM46C
Descriptor: SULFATE ION, Terminal nucleotidyltransferase 5C
Authors:Shang, G.J, Zhang, X.W, Chen, H, Lu, D.F.
Deposit date:2020-03-09
Release date:2020-05-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.854 Å)
Cite:Structural and Functional Analyses of the FAM46C/Plk4 Complex.
Structure, 28, 2020

238582

数据于2025-07-09公开中

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