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8K5V
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BU of 8k5v by Molmil
Crystal structure of human proMMP-9 catalytic domain in complex with inhibitor
Descriptor: 6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl-(7-ethyl-2H-indazol-3-yl)methanone, CALCIUM ION, DIHYDROGENPHOSPHATE ION, ...
Authors:Kamitani, M, Mima, M, Nishikawa-Shimono, R.
Deposit date:2023-07-24
Release date:2023-12-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of novel indole derivatives as potent and selective inhibitors of proMMP-9 activation.
Bioorg.Med.Chem.Lett., 97, 2023
8K5X
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BU of 8k5x by Molmil
Crystal structure of human proMMP-9 catalytic domain in complex with inhibitor
Descriptor: (6-cyclopropyl-1~{H}-indol-2-yl)-(5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl)methanone, CALCIUM ION, CHLORIDE ION, ...
Authors:Kamitani, M, Mima, M, Nishikawa-Shimono, R.
Deposit date:2023-07-24
Release date:2023-12-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of novel indole derivatives as potent and selective inhibitors of proMMP-9 activation.
Bioorg.Med.Chem.Lett., 97, 2023
8BLB
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BU of 8blb by Molmil
Human serotonin 5-HT3A receptor in complex with vortioxetine (nanodiscs, ECD, active/distorted conformation)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-hydroxytryptamine receptor 3A, ...
Authors:Lopez-Sanchez, U, Nury, H.
Deposit date:2022-11-09
Release date:2024-05-15
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural determinants for activity of the antidepressant vortioxetine at human and rodent 5-HT 3 receptors.
Nat.Struct.Mol.Biol., 2024
8BLA
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BU of 8bla by Molmil
Human serotonin 5-HT3A receptor in complex with vortioxetine (detergent, ECD only, active/distorted conformation)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-hydroxytryptamine receptor 3A, ...
Authors:Lopez-Sanchez, U, Nury, H.
Deposit date:2022-11-09
Release date:2024-05-15
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural determinants for activity of the antidepressant vortioxetine at human and rodent 5-HT 3 receptors.
Nat.Struct.Mol.Biol., 2024
8BL8
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BU of 8bl8 by Molmil
Human serotonin 5-HT3A receptor (apo, active/distorted conformation)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-hydroxytryptamine receptor 3A
Authors:Lopez-Sanchez, U, Nury, H.
Deposit date:2022-11-09
Release date:2024-05-15
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite:Structural determinants for activity of the antidepressant vortioxetine at human and rodent 5-HT 3 receptors.
Nat.Struct.Mol.Biol., 2024
5BO1
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BU of 5bo1 by Molmil
Crystal structure of a human Jag1 fragment in complex with an anti-Jag1 Fab
Descriptor: Fab heavy chain, Fab light chain, GLYCEROL, ...
Authors:Payandeh, J, de Leon-Boenig, G.
Deposit date:2015-05-26
Release date:2015-11-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Therapeutic antibodies reveal Notch control of transdifferentiation in the adult lung.
Nature, 528, 2015
6SNE
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BU of 6sne by Molmil
crystal structure of LN01 Fab in complex with an HIV-1 gp41 peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, LN01 heavy chain, ...
Authors:Caillat, C, Pinto, D, Corti, D, Fenwick, C, Pantaleo, G, Weissenhorn, W.
Deposit date:2019-08-23
Release date:2019-11-06
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Structural Basis for Broad HIV-1 Neutralization by the MPER-Specific Human Broadly Neutralizing Antibody LN01.
Cell Host Microbe, 26, 2019
6SND
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BU of 6snd by Molmil
crystal structure of LN01 Fab in complex with an HIV-1 gp41 peptide
Descriptor: 1,2-DICAPROYL-SN-PHOSPHATIDYL-L-SERINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, ...
Authors:Caillat, C, Pinto, D, Corti, D, Fenwick, C, Pantaleo, G, Weissenhorn, W.
Deposit date:2019-08-23
Release date:2019-11-06
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural Basis for Broad HIV-1 Neutralization by the MPER-Specific Human Broadly Neutralizing Antibody LN01.
Cell Host Microbe, 26, 2019
5MG0
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BU of 5mg0 by Molmil
Structure of PAS-GAF fragment of Deinococcus phytochrome by serial femtosecond crystallography
Descriptor: 1,2-ETHANEDIOL, 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome, ...
Authors:Burgie, E.S, Fuller, F.D, Gul, S, Miller, M.D, Young, I.D, Brewster, A.S, Clinger, J, Aller, P, Braeuer, P, Hutchison, C, Alonso-Mori, R, Kern, J, Yachandra, V.K, Yano, J, Sauter, N.K, Phillips Jr, G.N, Vierstra, R.D, Orville, A.M.
Deposit date:2016-11-20
Release date:2017-02-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Drop-on-demand sample delivery for studying biocatalysts in action at X-ray free-electron lasers.
Nat. Methods, 14, 2017
8TJF
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BU of 8tjf by Molmil
monovalent bispecific IgG antibodies through novel electrostatic steering mutations at the CH1-CL interface
Descriptor: Fab Lambda light chain, IgG1 Fab heavy chain
Authors:Oganesyan, V.Y, van Dyk, N, Mazor, Y, Chiang, C.
Deposit date:2023-07-21
Release date:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Robust production of monovalent bispecific IgG antibodies through novel electrostatic steering mutations at the C H 1-C lambda interface.
Mabs, 15, 2023
6F2L
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BU of 6f2l by Molmil
Crystal structure of the complex between PPARgamma LBD and the ligand LJ570: structure obtained from crystals of the apo-form soaked for 15 days.
Descriptor: (2S)-3-(biphenyl-4-yl)-2-(biphenyl-4-yloxy)propanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Pochetti, G, Montanari, M.
Deposit date:2017-11-24
Release date:2018-01-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of the First PPAR alpha / gamma Dual Agonist Able To Bind to Canonical and Alternative Sites of PPAR gamma and To Inhibit Its Cdk5-Mediated Phosphorylation.
J.Med.Chem., 61, 2018
5LG2
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BU of 5lg2 by Molmil
Horse L type ferritin iron loaded for 60 minutes
Descriptor: CADMIUM ION, CHLORIDE ION, FE (III) ION, ...
Authors:Pozzi, C, Di Pisa, F, Mangani, S.
Deposit date:2016-07-05
Release date:2017-02-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Chemistry at the protein-mineral interface in L-ferritin assists the assembly of a functional ( mu (3)-oxo)Tris[( mu (2)-peroxo)] triiron(III) cluster.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
7ZCE
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BU of 7zce by Molmil
SARS-CoV-2 Spike protein in complex with the single chain fragment scFv76
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Fibritin, ...
Authors:Chaves-Sanjuan, A, Bolognesi, M.
Deposit date:2022-03-28
Release date:2022-10-12
Last modified:2023-02-08
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Spike mutation resilient scFv76 antibody counteracts SARS-CoV-2 lung damage upon aerosol delivery.
Mol.Ther., 31, 2022
7ZCF
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BU of 7zcf by Molmil
SARS-CoV-2 Spike RBD in complex with the single chain fragment scFv76 (Focused Refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Fibritin, scFv76 single chain fragment
Authors:Chaves-Sanjuan, A, Bolognesi, M.
Deposit date:2022-03-28
Release date:2022-10-12
Last modified:2023-02-08
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Spike mutation resilient scFv76 antibody counteracts SARS-CoV-2 lung damage upon aerosol delivery.
Mol.Ther., 31, 2022
5LG8
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BU of 5lg8 by Molmil
Human L-type ferritin iron loaded for 60 minutes
Descriptor: CADMIUM ION, FE (III) ION, Ferritin light chain, ...
Authors:Pozzi, C, Di Pisa, F, Mangani, S.
Deposit date:2016-07-06
Release date:2017-02-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Chemistry at the protein-mineral interface in L-ferritin assists the assembly of a functional ( mu (3)-oxo)Tris[( mu (2)-peroxo)] triiron(III) cluster.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
4JL4
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BU of 4jl4 by Molmil
Crystal structure of the complex between PPARgamma LBD and the ligand LJ570 [(2S)-3-(biphenyl-4-yl)-2-(biphenyl-4-yloxy)propanoic acid]
Descriptor: (2S)-3-(biphenyl-4-yl)-2-(biphenyl-4-yloxy)propanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Pochetti, G, Montanari, R, Capelli, D.
Deposit date:2013-03-12
Release date:2014-03-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Identification of the First PPAR alpha / gamma Dual Agonist Able To Bind to Canonical and Alternative Sites of PPAR gamma and To Inhibit Its Cdk5-Mediated Phosphorylation.
J.Med.Chem., 61, 2018
4ZJK
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BU of 4zjk by Molmil
FIVE MINUTES IRON LOADED HUMAN H FERRITIN
Descriptor: CHLORIDE ION, FE (II) ION, Ferritin heavy chain, ...
Authors:Pozzi, C, Di Pisa, F, Mangani, S.
Deposit date:2015-04-29
Release date:2015-09-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Iron binding to human heavy-chain ferritin.
Acta Crystallogr.,Sect.D, 71, 2015
2IVN
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BU of 2ivn by Molmil
Structure of UP1 protein
Descriptor: GLYCEROL, MAGNESIUM ION, O-SIALOGLYCOPROTEIN ENDOPEPTIDASE, ...
Authors:Hecker, A, Leulliot, N, Graille, M, Dorlet, P, Quevillon-Cheruel, S, Ulryck, N, Van Tilbeurgh, H, Forterre, P.
Deposit date:2006-06-14
Release date:2007-07-31
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:An Archaeal Orthologue of the Universal Protein Kae1 is an Iron Metalloprotein which Exhibits Atypical DNA-Binding Properties and Apurinic-Endonuclease Activity in Vitro.
Nucleic Acids Res., 35, 2007
2IVO
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BU of 2ivo by Molmil
Structure of UP1 protein
Descriptor: TUNGSTATE(VI)ION, UP1
Authors:Hecker, A, Leulliot, N, Graille, M, Dorlet, P, Quevillon-Cheruel, S, Ulryck, N, Van Tilbeurgh, H, Forterre, P.
Deposit date:2006-06-14
Release date:2007-07-31
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:An Archaeal Orthologue of the Universal Protein Kae1 is an Iron Metalloprotein which Exhibits Atypical DNA-Binding Properties and Apurinic-Endonuclease Activity in Vitro.
Nucleic Acids Res., 35, 2007
2IVP
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BU of 2ivp by Molmil
Structure of UP1 protein
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, FE (II) ION, O-SIALOGLYCOPROTEIN ENDOPEPTIDASE
Authors:Hecker, A, Leulliot, N, Graille, M, Dorlet, P, Quevillon-Cheruel, S, Ulryck, N, Van Tilbeurgh, H, Forterre, P.
Deposit date:2006-06-14
Release date:2007-07-31
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:An Archaeal Orthologue of the Universal Protein Kae1 is an Iron Metalloprotein which Exhibits Atypical DNA-Binding Properties and Apurinic-Endonuclease Activity in Vitro.
Nucleic Acids Res., 35, 2007
4YKH
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BU of 4ykh by Molmil
Thirty minutes iron loaded human H ferritin
Descriptor: BICINE, CHLORIDE ION, FE (II) ION, ...
Authors:Pozzi, C, Di Pisa, F, Mangani, S.
Deposit date:2015-03-04
Release date:2015-09-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Iron binding to human heavy-chain ferritin.
Acta Crystallogr.,Sect.D, 71, 2015
4Y08
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BU of 4y08 by Molmil
ONE MINUTE IRON LOADED HUMAN H FERRITIN
Descriptor: CHLORIDE ION, FE (II) ION, Ferritin heavy chain, ...
Authors:Pozzi, C, Di Pisa, F, Mangani, S.
Deposit date:2015-02-05
Release date:2015-09-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Iron binding to human heavy-chain ferritin.
Acta Crystallogr.,Sect.D, 71, 2015
2MJH
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BU of 2mjh by Molmil
Solution structure of the GLD-1 RNA-binding domain in complex with RNA
Descriptor: 5'-CUACUCAUAU-3', Female germline-specific tumor suppressor gld-1
Authors:Daubner, G.M, Allain, F.H.-T.
Deposit date:2014-01-09
Release date:2014-05-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural and functional implications of the QUA2 domain on RNA recognition by GLD-1.
Nucleic Acids Res., 42, 2014
5VL7
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BU of 5vl7 by Molmil
PCSK9 complex with Fab33
Descriptor: Fab33 heavy chain, Fab33 light chain, Proprotein convertase subtilisin/kexin type 9
Authors:Eigenbrot, C, Shia, S.
Deposit date:2017-04-25
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Discovery of a cryptic peptide-binding site on PCSK9 and design of antagonists.
Nat. Struct. Mol. Biol., 24, 2017
5VLK
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BU of 5vlk by Molmil
Short PCSK9 delta-P' complex with shrunken peptide bearing homo-Arginine
Descriptor: ACE-THR-VAL-PHE-THR-SER-TRP-GLU-GLU-TYR-LEU-ASP-TRP-VAL-NH2 peptide, ACE-TRP-ASN-LEU-VAL-HRG-ILE-GLY-LEU-LEU peptide, CALCIUM ION, ...
Authors:Eigenbrot, C, Ultsch, M.
Deposit date:2017-04-25
Release date:2017-08-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of a cryptic peptide-binding site on PCSK9 and design of antagonists.
Nat. Struct. Mol. Biol., 24, 2017

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數據於2024-06-19公開中

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