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9CKV
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BU of 9ckv by Molmil
Cryo-EM structure of alpha5beta1 integrin in complex with NeoNectin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Werther, R, Nguyen, A, Estrada Alamo, K.A, Wang, X, Campbell, M.G.
Deposit date:2024-07-09
Release date:2024-07-17
Method:ELECTRON MICROSCOPY (3.19 Å)
Cite:De Novo Design of Integrin alpha5beta1 Modulating Proteins for Regenerative Medicine
To Be Published
2C1N
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BU of 2c1n by Molmil
Molecular basis for the recognition of phosphorylated and phosphoacetylated histone H3 by 14-3-3
Descriptor: 14-3-3 PROTEIN ZETA/DELTA, HISTONE H3 ACETYLPHOSPHOPEPTIDE
Authors:Welburn, J.P.I, Macdonald, N, Noble, M.E.M, Nguyen, A, Yaffe, M.B, Clynes, D, Moggs, J.G, Orphanides, G, Thomson, S, Edmunds, J.W, Clayton, A.L, Endicott, J.A, Mahadevan, L.C.
Deposit date:2005-09-16
Release date:2005-11-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular Basis for the Recognition of Phosphorylated and Phosphoacetylated Histone H3 by 14-3-3.
Mol.Cell, 20, 2005
2C1J
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BU of 2c1j by Molmil
Molecular basis for the recognition of phosphorylated and phosphoacetylated histone H3 by 14-3-3
Descriptor: 14-3-3 PROTEIN ZETA/DELTA, HISTONE H3 ACETYLPHOSPHOPEPTIDE
Authors:Welburn, J.P.I, Macdonald, N, Noble, M.E.M, Nguyen, A, Yaffe, M.B, Clynes, D, Moggs, J.G, Orphanides, G, Thomson, S, Edmunds, J.W, Clayton, A.L, Endicott, J.A, Mahadevan, L.C.
Deposit date:2005-09-15
Release date:2005-11-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Molecular Basis for the Recognition of Phosphorylated and Phosphoacetylated Histone H3 by 14-3-3.
Mol.Cell, 20, 2005
1BEI
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BU of 1bei by Molmil
Shk-dnp22: A Potent Kv1.3-specific immunosuppressive polypeptide, NMR, 20 structures
Descriptor: POTASSIUM CHANNEL TOXIN SHK
Authors:Kalman, K, Pennington, M.W, Lanigan, M.D, Nguyen, A, Rauer, H, Mahnir, V, Gutman, G.A, Paschetto, K, Kem, W.R, Grissmer, S, Christian, E.P, Cahalan, M.D, Norton, R.S, Chandy, K.G.
Deposit date:1998-05-14
Release date:1998-12-02
Last modified:2022-12-21
Method:SOLUTION NMR
Cite:ShK-Dap22, a potent Kv1.3-specific immunosuppressive polypeptide.
J.Biol.Chem., 273, 1998
8R38
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BU of 8r38 by Molmil
BIIG2 anti-integrin Fab
Descriptor: BIIG2 Fab, heavy chain, light chain, ...
Authors:Cordara, G, Heim, J.B, Johannesen, H, Krengel, U.
Deposit date:2023-11-08
Release date:2024-09-25
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Structural and functional characterization of integrin alpha5-targeting antibodies for anti-angiogenic therapy
To Be Published
7APM
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BU of 7apm by Molmil
tRNA-guanine transglycosylase H319C mutant spin-labeled with MTSL.
Descriptor: CHLORIDE ION, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
Authors:Nguyen, D, Heine, A, Klebe, G.
Deposit date:2020-10-18
Release date:2020-10-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Unraveling a Ligand-Induced Twist of a Homodimeric Enzyme by Pulsed Electron-Electron Double Resonance.
Angew.Chem.Int.Ed.Engl., 60, 2021
7APL
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BU of 7apl by Molmil
tRNA-guanine transglycosylase G87C mutant spin-labeled with MTSL
Descriptor: GLYCEROL, Queuine tRNA-ribosyltransferase, ZINC ION
Authors:Nguyen, D, Heine, A, Klebe, G.
Deposit date:2020-10-18
Release date:2020-10-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Unraveling a Ligand-Induced Twist of a Homodimeric Enzyme by Pulsed Electron-Electron Double Resonance.
Angew.Chem.Int.Ed.Engl., 60, 2021
9BNH
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BU of 9bnh by Molmil
X-ray Crystal Structure of Cu-TZ4H tryptophan Zipper Metallo-Peptide
Descriptor: ACETIC ACID, AMMONIA, COPPER (II) ION, ...
Authors:Dang, V.T, Nguyen, A.
Deposit date:2024-05-02
Release date:2024-09-04
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Crystallography reveals metal-triggered restructuring of beta-hairpins.
Chemistry, 2024
9BNI
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BU of 9bni by Molmil
X-ray crystal structure of Cu-TZ4H-H3AH10D tryptophan zipper metallo-beta-sheet peptide
Descriptor: CHLORIDE ION, COPPER (II) ION, Cu-TZ4H-H3AH10D tryptophan zipper metallo-beta-sheet peptide, ...
Authors:Dang, V.T, Nguyen, A.
Deposit date:2024-05-02
Release date:2024-09-04
Last modified:2024-09-25
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystallography reveals metal-triggered restructuring of beta-hairpins.
Chemistry, 2024
6X00
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BU of 6x00 by Molmil
Structure of DbNA(11) peptides bound to H-2Db MHC-I
Descriptor: Beta-2-microglobulin, Epitope from Neuraminidase Protein (NA-181-191), H-2 class I histocompatibility antigen, ...
Authors:Farenc, C, Rossjohn, J.
Deposit date:2020-05-14
Release date:2020-09-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Overlapping Peptides Elicit Distinct CD8 + T Cell Responses following Influenza A Virus Infection.
J Immunol., 205, 2020
6WZY
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BU of 6wzy by Molmil
Structure of DbNA(10) peptides bound to H-2Db MHC-I
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ...
Authors:Farenc, C, Rossjohn, J.
Deposit date:2020-05-14
Release date:2020-09-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Overlapping Peptides Elicit Distinct CD8 + T Cell Responses following Influenza A Virus Infection.
J Immunol., 205, 2020
3KHQ
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BU of 3khq by Molmil
Crystal structure of murine Ig-beta (CD79b) in the monomeric form
Descriptor: B-cell antigen receptor complex-associated protein beta chain, CITRATE ANION, GLUTATHIONE, ...
Authors:Radaev, S, Sun, P.D.
Deposit date:2009-10-30
Release date:2010-08-25
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and Functional Studies of Igalphabeta and Its Assembly with the B Cell Antigen Receptor.
Structure, 18, 2010
3KG5
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BU of 3kg5 by Molmil
Crystal structure of human Ig-beta homodimer
Descriptor: B-cell antigen receptor complex-associated protein beta chain
Authors:Radaev, S, Sun, P.D.
Deposit date:2009-10-28
Release date:2010-08-25
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural and Functional Studies of Igalphabeta and Its Assembly with the B Cell Antigen Receptor.
Structure, 18, 2010
3KHO
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BU of 3kho by Molmil
Crystal structure of murine Ig-beta (CD79b) homodimer
Descriptor: B-cell antigen receptor complex-associated protein beta chain, SULFATE ION
Authors:Radaev, S, Sun, P.D.
Deposit date:2009-10-30
Release date:2010-08-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Structural and Functional Studies of Igalphabeta and Its Assembly with the B Cell Antigen Receptor.
Structure, 18, 2010
8U5L
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BU of 8u5l by Molmil
MAU868, a novel human-derived monoclonal neutralizing antibody targeting BK virus VP1
Descriptor: Capsid protein VP1, scFv fragment of the monoclonal antibody MAU868
Authors:Knapp, M.S, Ornelas, E.
Deposit date:2023-09-12
Release date:2024-08-14
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Nonclinical and clinical characterization of MAU868, a novel human-derived monoclonal neutralizing antibody targeting BK polyomavirus VP1.
Am J Transplant, 2024
8AYH
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BU of 8ayh by Molmil
Structure of Complement C5 in Complex with small molecule inhibitor and CVF
Descriptor: 5-methoxy-2-[[(1~{S})-1-(2-methoxyphenyl)ethyl]carbamoylamino]-4-(4-methylpentoxy)benzoic acid, Cobra venom factor, Complement C5 alpha chain, ...
Authors:Srinivas, H.
Deposit date:2022-09-02
Release date:2022-12-21
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:A small-molecule inhibitor of C5 complement protein.
Nat.Chem.Biol., 15, 2019
7UV9
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BU of 7uv9 by Molmil
KDM2A-nucleosome structure stabilized by H3K36C-UNC8015 covalent conjugate
Descriptor: DNA (185-MER), FE (III) ION, Histone H2A type 1, ...
Authors:Spangler, C.J, Skrajna, A, Foley, C.A, Budziszewski, G.R, Azzam, D.N, James, L.I, Frye, S.V, McGinty, R.K.
Deposit date:2022-04-29
Release date:2023-02-22
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis of paralog-specific KDM2A/B nucleosome recognition.
Nat.Chem.Biol., 19, 2023
7UVA
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BU of 7uva by Molmil
Crystal structure of KDM2A histone demethylase catalytic domain in complex with an H3C36 peptide modified by UNC8015
Descriptor: FE (III) ION, Histone H3.2, Lysine-specific demethylase 2A, ...
Authors:Budziszewski, G.R, Azzam, D.N, Spangler, C.J, Skrajna, A, Foley, C.A, James, L.I, Frye, S.V, McGinty, R.K.
Deposit date:2022-04-29
Release date:2023-02-22
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structural basis of paralog-specific KDM2A/B nucleosome recognition.
Nat.Chem.Biol., 19, 2023
8AXW
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BU of 8axw by Molmil
The structure of mouse AsterC (GramD1c) with Ezetimibe
Descriptor: (3~{R},4~{S})-1-(4-fluorophenyl)-3-[(3~{S})-3-(4-fluorophenyl)-3-oxidanyl-propyl]-4-(4-hydroxyphenyl)azetidin-2-one, CHLORIDE ION, ETHANOL, ...
Authors:Fairall, L, Xiao, X, Burger, L, Tontonoz, P, Schwabe, J.W.R.
Deposit date:2022-09-01
Release date:2023-09-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Aster-dependent nonvesicular transport facilitates dietary cholesterol uptake.
Science, 382, 2023
4RP7
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BU of 4rp7 by Molmil
Structure of the amyloid-forming segment TIITLE from p53 (residues 253-258)
Descriptor: TIITLE hexapeptide segment from p53, ZINC ION
Authors:Soriaga, A.B, Soragni, A, Eisenberg, D.
Deposit date:2014-10-29
Release date:2016-01-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.576 Å)
Cite:A Designed Inhibitor of p53 Aggregation Rescues p53 Tumor Suppression in Ovarian Carcinomas.
Cancer Cell, 29, 2016
4RP6
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BU of 4rp6 by Molmil
Structure of the amyloid-forming segment LTIITLE from p53 (residues 252-258)
Descriptor: LTIITLE heptapeptide segment from p53
Authors:Soriaga, A.B, Soragni, A, Eisenberg, D.
Deposit date:2014-10-29
Release date:2016-01-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.703 Å)
Cite:A Designed Inhibitor of p53 Aggregation Rescues p53 Tumor Suppression in Ovarian Carcinomas.
Cancer Cell, 29, 2016
3HR5
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BU of 3hr5 by Molmil
M1prime peptide from IgE bound by humanized antibody 47H4 Fab
Descriptor: Fab h47H4 heavy chain, Fab h47H4 light chain, GLYCEROL, ...
Authors:Eigenbrot, C.W, Ultsch, M.H.
Deposit date:2009-06-08
Release date:2010-05-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Antibodies specific for a segment of human membrane IgE deplete IgE-producing B cells in humanized mice.
J.Clin.Invest., 120, 2010
3UIE
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BU of 3uie by Molmil
Crystal structure of adenosine 5'-phosphosulfate kinase from Arabidopsis Thaliana in Complex with AMPPNP and APS
Descriptor: ADENOSINE-5'-PHOSPHOSULFATE, Adenylyl-sulfate kinase 1, chloroplastic, ...
Authors:Ravilious, G.E, Jez, J.M.
Deposit date:2011-11-04
Release date:2012-01-25
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.794 Å)
Cite:Structural basis and evolution of redox regulation in plant adenosine-5'-phosphosulfate kinase.
Proc.Natl.Acad.Sci.USA, 109, 2012
7JH5
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BU of 7jh5 by Molmil
Co-LOCKR: de novo designed protein switch
Descriptor: Co-LOCKR: de novo designed protein switch
Authors:Bick, M.J, Lajoie, M.J, Boyken, S.E, Sankaran, B, Baker, D.
Deposit date:2020-07-20
Release date:2020-09-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.103 Å)
Cite:Designed protein logic to target cells with precise combinations of surface antigens.
Science, 369, 2020
7JWI
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BU of 7jwi by Molmil
Crystal structure of B17.R2 TCR in complex with H2D-b-NP366
Descriptor: 1,2-ETHANEDIOL, B17.R2 TCR alpha chain, B17.R2 TCR beta chain, ...
Authors:Farenc, C, Rossjohn, J.
Deposit date:2020-08-25
Release date:2021-07-07
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Canonical T cell receptor docking on peptide-MHC is essential for T cell signaling.
Science, 372, 2021

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