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7E23
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BU of 7e23 by Molmil
SARS-CoV-2 spike in complex with the CA521 neutralizing antibody Fab (focused refinement on Fab-RBD)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CA521 Heavy Chain, CA521 Light Chain, ...
Authors:Liu, C, Song, D, Dou, C.
Deposit date:2021-02-04
Release date:2021-05-05
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure and function analysis of a potent human neutralizing antibody CA521 FALA against SARS-CoV-2.
Commun Biol, 4, 2021
3BD9
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BU of 3bd9 by Molmil
human 3-O-sulfotransferase isoform 5 with bound PAP
Descriptor: ADENOSINE-3'-5'-DIPHOSPHATE, Heparan sulfate glucosamine 3-O-sulfotransferase 5
Authors:Xu, D, Moon, A.F, Song, D, Liu, J, Pedersen, L.C.
Deposit date:2007-11-14
Release date:2008-01-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Engineering sulfotransferases to modify heparan sulfate.
Nat.Chem.Biol., 4, 2008
2A9H
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BU of 2a9h by Molmil
NMR structural studies of a potassium channel / charybdotoxin complex
Descriptor: Voltage-gated potassium channel, charybdotoxin
Authors:Yu, L, Sun, C, Song, D, Shen, J, Xu, N, Gunasekera, A, Hajduk, P.J, Olejniczak, E.T.
Deposit date:2005-07-11
Release date:2006-01-10
Last modified:2021-10-20
Method:SOLUTION NMR
Cite:Nuclear magnetic resonance structural studies of a potassium channel-charybdotoxin complex.
Biochemistry, 44, 2005
4IM8
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BU of 4im8 by Molmil
low resolution crystal structure of mouse RAGE
Descriptor: Advanced glycation end-products receptor
Authors:Xu, D, Young, J.H, Krahn, J.M, Song, D, Corbett, K.D, Chazin, W.J, Pedersen, L.C, Esko, J.D.
Deposit date:2013-01-02
Release date:2013-08-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.503 Å)
Cite:Stable RAGE-Heparan Sulfate Complexes Are Essential for Signal Transduction.
Acs Chem.Biol., 8, 2013
2JOD
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BU of 2jod by Molmil
Pac1-Rshort N-terminal EC domain Pacap(6-38) complex
Descriptor: Pituitary adenylate cyclase-activating polypeptide, Pituitary adenylate cyclase-activating polypeptide type I receptor
Authors:Olejniczak, E.T, Sun, C, Song, D, Davis-Taber, R.A, Barrett, L.W, Scott, V.E, Richardson, P.L, Pereda-lopez, A, Uchic, M.E, Solomon, L.R, Lake, M.R, Walter, K.A, Hajduk, P.J.
Deposit date:2007-03-07
Release date:2007-05-22
Last modified:2023-12-20
Method:SOLUTION NMR
Cite:Solution structure and mutational analysis of pituitary adenylate cyclase-activating polypeptide binding to the extracellular domain of PAC1-RS.
Proc.Natl.Acad.Sci.Usa, 104, 2007
4OQ6
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BU of 4oq6 by Molmil
Crystal Structure of Human MCL-1 Bound to Inhibitor 4-hydroxy-4'-propylbiphenyl-3-carboxylic acid
Descriptor: 4-hydroxy-4'-propylbiphenyl-3-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Petros, A.M, Swann, S.L, Song, D, Swinger, K, Park, C, Zhang, H, Wendt, M.D, Kunzer, A.R, Souers, A.J, Sun, C.
Deposit date:2014-02-07
Release date:2014-03-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Fragment-based discovery of potent inhibitors of the anti-apoptotic MCL-1 protein.
Bioorg.Med.Chem.Lett., 24, 2014
4OQ5
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BU of 4oq5 by Molmil
Crystal Structure of Human MCL-1 Bound to Inhibitor 4-(4-methylnaphthalen-1-yl)-2-{[(4-phenoxyphenyl)sulfonyl]amino}benzoic acid
Descriptor: 4-(4-methylnaphthalen-1-yl)-2-{[(4-phenoxyphenyl)sulfonyl]amino}benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Petros, A.M, Swann, S.L, Song, D, Swinger, K, Park, C, Zhang, H, Wendt, M.D, Kunzer, A.R, Souers, A.J, Sun, C.
Deposit date:2014-02-07
Release date:2014-03-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Fragment-based discovery of potent inhibitors of the anti-apoptotic MCL-1 protein.
Bioorg.Med.Chem.Lett., 24, 2014
6LVF
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BU of 6lvf by Molmil
Cryo-EM structure of the multiple peptide resistance factor (MprF) loaded with one lysyl-phosphatidylglycerol molecule
Descriptor: (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, Low pH-inducible protein LpiA, ...
Authors:Song, D.F, Jiao, H.Z, Liu, Z.F.
Deposit date:2020-02-02
Release date:2021-02-03
Last modified:2021-08-18
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Phospholipid translocation captured in a bifunctional membrane protein MprF.
Nat Commun, 12, 2021
6LV0
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BU of 6lv0 by Molmil
Crystal structure of the soluble domain of the multiple peptide resistance factor (MprF) from Rhizobium tropici
Descriptor: Low pH-inducible protein LpiA
Authors:Jiao, H.Z, Song, D.F, Liu, Z.F.
Deposit date:2020-02-02
Release date:2021-02-03
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:Phospholipid translocation captured in a bifunctional membrane protein MprF.
Nat Commun, 12, 2021
7DUW
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BU of 7duw by Molmil
Cryo-EM structure of the multiple peptide resistance factor (MprF) loaded with two lysyl-phosphatidylglycerol molecules
Descriptor: (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, (2~{R},3~{S},4~{S},5~{S},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{S},4~{R},5~{R},6~{R})-2-(hydroxymethyl)-6-[2-[[(2~{R},3~{S},4~{R},5~{R},6~{S})-6-(hydroxymethyl)-5-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxymethyl]-4-[(1~{R},2~{R},4~{S},5'~{R},6~{R},7~{R},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxy-butoxy]-4,5-bis(oxidanyl)oxan-3-yl]oxy-oxane-3,4,5-triol, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
Authors:Song, D.F, Jiao, H.Z, Liu, Z.F.
Deposit date:2021-01-12
Release date:2021-04-21
Last modified:2021-08-18
Method:ELECTRON MICROSCOPY (2.96 Å)
Cite:Phospholipid translocation captured in a bifunctional membrane protein MprF.
Nat Commun, 12, 2021
7F9W
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BU of 7f9w by Molmil
CD25 in complex with Fab
Descriptor: Heavy chain of Fab, Interleukin-2 receptor subunit alpha, Light chain of Fab
Authors:Liu, C.
Deposit date:2021-07-05
Release date:2022-01-12
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Two novel human anti-CD25 antibodies with antitumor activity inversely related to their affinity and in vitro activity.
Sci Rep, 11, 2021
7V4T
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BU of 7v4t by Molmil
Cryo-EM structure of Alphavirus M1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Capsid protein, E1 glycoprotein, ...
Authors:Gao, Y, Jia, X, Zhang, Q.
Deposit date:2021-08-15
Release date:2022-08-17
Method:ELECTRON MICROSCOPY (4.04 Å)
Cite:Cryo-EM evidence of viral N-glycosylation reveal receptor binding mechanisms of alphavirus M1
To Be Published
7XHF
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BU of 7xhf by Molmil
Crystal structure of the NTF2L domain of human G3BP1 in complex with the USP10 derived peptide
Descriptor: Ras GTPase-activating protein-binding protein 1, USP10/6-21
Authors:Dan, S, Weimin, G.
Deposit date:2022-04-08
Release date:2023-01-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Yin and yang regulation of stress granules by Caprin-1.
Proc.Natl.Acad.Sci.USA, 119, 2022
7XHG
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BU of 7xhg by Molmil
Crystal structure of the NTF2L domain of human G3BP1 in complex with the Caprin-1 derived peptide
Descriptor: Caprin-1(369-378), Ras GTPase-activating protein-binding protein 1
Authors:Dan, S, Weimin, G.
Deposit date:2022-04-08
Release date:2023-01-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Yin and yang regulation of stress granules by Caprin-1.
Proc.Natl.Acad.Sci.USA, 119, 2022
6X83
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BU of 6x83 by Molmil
Crystal Structure of TNFalpha with fragment compound 6
Descriptor: 1-benzyl-1H-benzimidazole, Tumor necrosis factor
Authors:Longenecker, K.L, Stoll, V.S.
Deposit date:2020-06-01
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Development of Orally Efficacious Allosteric Inhibitors of TNF alpha via Fragment-Based Drug Design.
J.Med.Chem., 64, 2021
6X82
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BU of 6x82 by Molmil
Crystal Structure of TNFalpha with isoquinoline compound 4
Descriptor: 8-[4-(2-{5-[(4-methylpiperazin-1-yl)methyl]-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)phenoxy}ethyl)phenyl]isoquinoline, Tumor necrosis factor
Authors:Longenecker, K.L, Stoll, V.S.
Deposit date:2020-06-01
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Development of Orally Efficacious Allosteric Inhibitors of TNF alpha via Fragment-Based Drug Design.
J.Med.Chem., 64, 2021
6X86
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BU of 6x86 by Molmil
Crystal Structure of TNFalpha with indolinone compound 11
Descriptor: 3-[(6-{2-[(3R)-4-(hydroxyacetyl)-3-methylpiperazin-1-yl]pyrimidin-5-yl}-2,2-dimethyl-3-oxo-2,3-dihydro-1H-indol-1-yl)methyl]pyridine-2-carbonitrile, Tumor necrosis factor
Authors:Longenecker, K.L, Stoll, V.S.
Deposit date:2020-06-01
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Development of Orally Efficacious Allosteric Inhibitors of TNF alpha via Fragment-Based Drug Design.
J.Med.Chem., 64, 2021
6X81
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BU of 6x81 by Molmil
Crystal Structure of TNFalpha with isoquinoline compound 2
Descriptor: Tumor necrosis factor, [4-(isoquinolin-8-yl)phenyl]acetonitrile
Authors:Longenecker, K.L, Stoll, V.S.
Deposit date:2020-06-01
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Development of Orally Efficacious Allosteric Inhibitors of TNF alpha via Fragment-Based Drug Design.
J.Med.Chem., 64, 2021
6X85
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BU of 6x85 by Molmil
Crystal Structure of TNFalpha with indolinone compound 9
Descriptor: 1-{[2-(difluoromethoxy)phenyl]methyl}-2,2-dimethyl-1,2-dihydro-3H-indol-3-one, Tumor necrosis factor
Authors:Longenecker, K.L, Stoll, V.S.
Deposit date:2020-06-01
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Development of Orally Efficacious Allosteric Inhibitors of TNF alpha via Fragment-Based Drug Design.
J.Med.Chem., 64, 2021
6KAD
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BU of 6kad by Molmil
Cryo-EM structure of the C2S2M2L2-type PSII-LHCII supercomplex from Chlamydomonas reihardtii
Descriptor: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
Authors:Sheng, X, Watanabe, A, Li, A.J, Kim, E, Song, C, Murata, K, Song, D.F, Minagawa, J, Liu, Z.F.
Deposit date:2019-06-21
Release date:2019-10-23
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural insight into light harvesting for photosystem II in green algae.
Nat.Plants, 5, 2019
3NEW
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BU of 3new by Molmil
p38-alpha complexed with Compound 10
Descriptor: 4-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, Mitogen-activated protein kinase 14
Authors:Goedken, E.R, Comess, K.M, Sun, C, Argiriadi, M, Jia, Y, Quinn, C.M, Banach, D.L, Marcotte, D, Borhani, D.
Deposit date:2010-06-09
Release date:2010-12-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Discovery and Characterization of Non-ATP Site Inhibitors of the Mitogen Activated Protein (MAP) Kinases.
Acs Chem.Biol., 6, 2011
3O17
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BU of 3o17 by Molmil
Crystal Structure of JNK1-alpha1 isoform
Descriptor: C-Jun-amino-terminal kinase-interacting protein 1, JIP1, 10MER PEPTIDE, ...
Authors:Abad-Zapatero, C.
Deposit date:2010-07-20
Release date:2011-01-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal Structure of JNK1-alpha1 isoform
TO BE PUBLISHED
6KAC
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BU of 6kac by Molmil
Cryo-EM structure of the C2S2-type PSII-LHCII supercomplex from Chlamydomonas reihardtii
Descriptor: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
Authors:Sheng, X, Li, A.J, Song, D.F, Liu, Z.F.
Deposit date:2019-06-21
Release date:2019-10-23
Last modified:2019-12-25
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structural insight into light harvesting for photosystem II in green algae.
Nat.Plants, 5, 2019
3O2M
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BU of 3o2m by Molmil
Crystal Structure of JNK1-alpha1 isoform complex with a biaryl tetrazol (A-82118)
Descriptor: C-Jun-amino-terminal kinase-interacting protein 1, JIP1, 10MER PEPTIDE, ...
Authors:Abad-Zapatero, C.
Deposit date:2010-07-22
Release date:2011-01-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery and characterization of non-ATP site inhibitors of the mitogen activated protein (MAP) kinases.
Acs Chem.Biol., 6, 2011
8H7L
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BU of 8h7l by Molmil
Cryo-EM Structure of SARS-CoV-2 BA.2 Spike protein in complex with BA7535
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BA7535 fab heavt chain, ...
Authors:Liu, Z, Yan, A, Gao, Y.
Deposit date:2022-10-20
Release date:2023-08-30
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (2.44 Å)
Cite:Identification of a highly conserved neutralizing epitope within the RBD region of diverse SARS-CoV-2 variants.
Nat Commun, 15, 2024

 

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