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3DGS
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BU of 3dgs by Molmil
Changing the determinants of protein stability from covalent to non-covalent interactions by in-vitro evolution: a structural and energetic analysis
Descriptor: Coat protein A
Authors:Jakob, R.P, Kather, I, Dobbek, H, Schmid, F.X.
Deposit date:2008-06-16
Release date:2008-07-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Changing the determinants of protein stability from covalent to non-covalent interactions by in vitro evolution: a structural and energetic analysis.
J.Mol.Biol., 381, 2008
5AC9
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BU of 5ac9 by Molmil
Structure-based energetics of protein interfaces guide Foot-and-Mouth disease virus vaccine design
Descriptor: VP1, VP2, VP3, ...
Authors:Kotecha, A, Seago, J, Scott, K, Burman, A, Loureiro, S, Ren, J, Porta, C, Ginn, H.M, Jackson, T, PerezMartin, E, Siebert, C.A, Paul, G, Huiskonen, J.T, Jones, I.M, Esnouf, R.M, Fry, E.E, Maree, F.F, Charleston, B, Stuart, D.I.
Deposit date:2015-08-14
Release date:2015-09-23
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure-Based Energetics of Protein Interfaces Guide Foot-and-Mouth Disease Vaccine Design
Nat.Struct.Mol.Biol., 22, 2015
7ZPG
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BU of 7zpg by Molmil
CRYSTAL STRUCTURE OF HUMAN MONOGLYCERIDE LIPASE WITH LIGAND
Descriptor: Monoglyceride lipase, [(7R,9aR)-7-(4-chlorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(2-bromanyl-3-methoxy-phenyl)methanone
Authors:Kemble, A, Hornsperger, B, Ruf, I, Richter, H, Benz, J, Kuhn, B, Heer, D, Wittwer, M, Engelhardt, B, Grether, U, Collin, L, Leibrock, L.
Deposit date:2022-04-27
Release date:2022-09-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:A potent and selective inhibitor for the modulation of MAGL activity in the neurovasculature.
Plos One, 17, 2022
1PD7
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BU of 1pd7 by Molmil
Extended SID of Mad1 bound to the PAH2 domain of mSin3B
Descriptor: Mad1, Sin3b protein
Authors:Van Ingen, H, Lasonder, E, Jansen, J.F, Kaan, A.M, Spronk, C.A, Stunnenberg, H.G, Vuister, G.W.
Deposit date:2003-05-19
Release date:2004-01-20
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Extension of the binding motif of the sin3 interacting domain of the mad family proteins(,).
Biochemistry, 43, 2004
6PK8
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BU of 6pk8 by Molmil
Antibody scFv-M204 dimeric state
Descriptor: SULFATE ION, scFv-M204 antibody
Authors:Abskharon, R, Sawaya, M.R, Seidler, P.M, Cascio, D, Eisenberg, D.S.
Deposit date:2019-06-28
Release date:2020-06-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Crystal structure of a conformational antibody that binds tau oligomers and inhibits pathological seeding by extracts from donors with Alzheimer's disease.
J.Biol.Chem., 295, 2020
2N3O
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BU of 2n3o by Molmil
Structure of PTB RRM1(41-163) bound to an RNA stemloop containing a structured loop derived from viral internal ribosomal entry site RNA
Descriptor: Polypyrimidine tract-binding protein 1, RNA (5'-R(*GP*GP*GP*AP*CP*CP*UP*GP*GP*UP*CP*UP*UP*UP*CP*CP*AP*GP*GP*UP*CP*CP*C)-3')
Authors:Maris, C, Jayne, S.F, Damberger, F.F, Ravindranathan, S, Allain, F.H.-T.
Deposit date:2015-06-08
Release date:2016-08-10
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:C-terminal helix folding upon pyrimidine-rich hairpin binding to PTB RRM1. Implications for PTB function in Encephalomyocarditis virus IRES activity.
To be Published
6PSC
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BU of 6psc by Molmil
Antibody scFv-M204 trimeric state
Descriptor: scFv-M204 antibody
Authors:Abskharon, R, Sawaya, M.R, Seidler, P.M, Cascio, D, Eisenberg, D.S.
Deposit date:2019-07-12
Release date:2020-06-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Crystal structure of a conformational antibody that binds tau oligomers and inhibits pathological seeding by extracts from donors with Alzheimer's disease.
J.Biol.Chem., 295, 2020
2ZL1
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BU of 2zl1 by Molmil
MP1-p14 Scaffolding complex
Descriptor: Mitogen-activated protein kinase kinase 1-interacting protein 1, Mitogen-activated protein-binding protein-interacting protein
Authors:Schrag, J.D, Cygler, M, Munger, C, Magloire, A.
Deposit date:2008-04-02
Release date:2008-06-24
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular dynamics-solvated interaction energy studies of protein-protein interactions: the MP1-p14 scaffolding complex.
J.Mol.Biol., 379, 2008
8P25
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BU of 8p25 by Molmil
Solution structure of a chimeric U2AF2 RRM2 / FUBP1 N-Box
Descriptor: Splicing factor U2AF 65 kDa subunit,Far upstream element-binding protein 1
Authors:Hipp, C, Sattler, M.
Deposit date:2023-05-14
Release date:2023-07-26
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:FUBP1 is a general splicing factor facilitating 3' splice site recognition and splicing of long introns.
Mol.Cell, 83, 2023
2ESY
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BU of 2esy by Molmil
Structure and influence on stability and activity of the N-terminal propetide part of lung surfactant protein C
Descriptor: lung surfactant protein C
Authors:Li, J, Liepinsh, E, Almlen, A, Thyberg, J, Curstedt, T, Jornvall, H, Johansson, J.
Deposit date:2005-10-27
Release date:2005-11-15
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:Structure and influence on stability and activity of the N-terminal propeptide part of lung surfactant protein C
Febs J., 273, 2006
6XT5
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BU of 6xt5 by Molmil
Jack bean asparaginyl endopeptidase
Descriptor: Legumain
Authors:Nonis, S.G, Haywood, J, Schmidberger, J.W, Bond, C.S.
Deposit date:2020-07-17
Release date:2020-11-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Structural and biochemical analyses of concanavalin A circular permutation by jack bean asparaginyl endopeptidase.
Plant Cell, 33, 2021
1N3K
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BU of 1n3k by Molmil
Solution structure of phosphoprotein enriched in astrocytes 15 kDa (PEA-15)
Descriptor: Astrocytic phosphoprotein PEA-15
Authors:Hill, J.M, Vaidyanathan, H, Ramos, J.W, Ginsberg, M.H, Werner, M.H.
Deposit date:2002-10-28
Release date:2003-01-14
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Recognition of ERK MAP Kinase by PEA-15 Reveals a Common Docking Site Within the Death Domain and Death Effector Domain
Embo J., 21, 2002
1MS7
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BU of 1ms7 by Molmil
X-ray structure of the GluR2 ligand-binding core (S1S2J) in complex with (S)-Des-Me-AMPA at 1.97 A resolution, Crystallization in the presence of zinc acetate
Descriptor: (S)-2-AMINO-3-(3-HYDROXY-ISOXAZOL-4-YL)PROPIONIC ACID, Glutamate receptor subunit 2, ZINC ION
Authors:Kasper, C, Lunn, M.-L, Liljefors, T, Gouaux, E, Egebjerg, J, Kastrup, J.S.
Deposit date:2002-09-19
Release date:2003-07-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:GluR2 ligand-binding core complexes: importance of the isoxazolol moiety and 5-substituent for the binding mode of AMPA-type agonists
FEBS Lett., 531, 2002
1MRP
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BU of 1mrp by Molmil
FERRIC-BINDING PROTEIN FROM HAEMOPHILUS INFLUENZAE
Descriptor: FE (III) ION, FERRIC IRON BINDING PROTEIN, PHOSPHATE ION
Authors:Bruns, C.M, Nowalk, A.J, Arvai, A.S, Mctigue, M.A, Vaughan, K.G, Mietzner, T.A, Mcree, D.E.
Deposit date:1997-05-14
Release date:1998-01-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of Haemophilus influenzae Fe(+3)-binding protein reveals convergent evolution within a superfamily.
Nat.Struct.Biol., 4, 1997
5W52
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BU of 5w52 by Molmil
MicroED structure of the segment, DLIIKGISVHI, from the RRM2 of TDP-43, residues 247-257
Descriptor: TAR DNA-binding protein 43
Authors:Guenther, E.L, Sawaya, M.R, Cascio, D, Eisenberg, D.S.
Deposit date:2017-06-13
Release date:2018-02-21
Last modified:2024-04-03
Method:ELECTRON CRYSTALLOGRAPHY (1.4 Å)
Cite:Atomic-level evidence for packing and positional amyloid polymorphism by segment from TDP-43 RRM2.
Nat. Struct. Mol. Biol., 25, 2018
1F09
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BU of 1f09 by Molmil
CRYSTAL STRUCTURE OF THE GREEN FLUORESCENT PROTEIN (GFP) VARIANT YFP-H148Q WITH TWO BOUND IODIDES
Descriptor: GREEN FLUORESCENT PROTEIN, IODIDE ION
Authors:Wachter, R.M, Yarbrough, D, Kallio, K, Remington, S.J.
Deposit date:2000-05-15
Release date:2000-11-17
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Crystallographic and energetic analysis of binding of selected anions to the yellow variants of green fluorescent protein.
J.Mol.Biol., 301, 2000
4P9Z
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BU of 4p9z by Molmil
Grb2 SH2 complexed with a pTyr-Ac6c-Asn tripeptide
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Clements, J.H, Martin, S.F.
Deposit date:2014-04-06
Release date:2014-06-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Protein-ligand interactions: Probing the energetics of a putative cation-pi interaction.
Bioorg.Med.Chem.Lett., 24, 2014
5W97
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BU of 5w97 by Molmil
Crystal Structure of CO-bound Cytochrome c Oxidase determined by Serial Femtosecond X-Ray Crystallography at Room Temperature
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
Authors:Rousseau, D.L, Yeh, S.-R, Ishigami, I, Zatsepin, N.A, Grant, T.D, Fromme, P, Fromme, R.
Deposit date:2017-06-22
Release date:2017-08-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of CO-bound cytochrome c oxidase determined by serial femtosecond X-ray crystallography at room temperature.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5WHL
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BU of 5whl by Molmil
Kelch domain of human Keap1 bound to inhibitory small molecule fragment: hydroxyphenyl propionic acid
Descriptor: HYDROXYPHENYL PROPIONIC ACID, Kelch-like ECH-associated protein 1, SULFATE ION
Authors:Carolan, J.P, Lynch, A.J, Allen, K.N.
Deposit date:2017-07-17
Release date:2018-09-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Interaction Energetics and Druggability of the Protein-Protein Interaction between Kelch-like ECH-Associated Protein 1 (KEAP1) and Nuclear Factor Erythroid 2 Like 2 (Nrf2).
Biochemistry, 59, 2020
5WIY
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BU of 5wiy by Molmil
Kelch domain of human Keap1 bound to small molecule inhibitor fragment: 4-amino-1,7-dihydro-6H-pyrazolo[3,4-d]pyrimidine-6-thione
Descriptor: 4-amino-1,7-dihydro-6H-pyrazolo[3,4-d]pyrimidine-6-thione, Kelch-like ECH-associated protein 1, SULFATE ION
Authors:Carolan, J.P, Lynch, A.J, Allen, K.N.
Deposit date:2017-07-20
Release date:2018-09-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Interaction Energetics and Druggability of the Protein-Protein Interaction between Kelch-like ECH-Associated Protein 1 (KEAP1) and Nuclear Factor Erythroid 2 Like 2 (Nrf2).
Biochemistry, 59, 2020
1N0T
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BU of 1n0t by Molmil
X-ray structure of the GluR2 ligand-binding core (S1S2J) in complex with the antagonist (S)-ATPO at 2.1 A resolution.
Descriptor: (S)-2-AMINO-3-(5-TERT-BUTYL-3-(PHOSPHONOMETHOXY)-4-ISOXAZOLYL)PROPIONIC ACID, ACETATE ION, Glutamate receptor 2, ...
Authors:Hogner, A, Greenwood, J.R, Liljefors, T, Lunn, M.-L, Egebjerg, J, Larsen, I.K, Gouaux, E, Kastrup, J.S.
Deposit date:2002-10-15
Release date:2003-03-04
Last modified:2017-08-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Competitive antagonism of AMPA receptors by ligands of different classes: crystal structure of ATPO bound to the GluR2 ligand-binding core, in comparison with DNQX.
J.Med.Chem., 46, 2003
1F0B
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BU of 1f0b by Molmil
CRYSTAL STRUCTURE OF THE GREEN FLUORESCENT PROTEIN (GFP) VARIANT YFP-H148Q
Descriptor: GREEN FLUORESCENT PROTEIN
Authors:Wachter, R.M, Yarbrough, D, Kallio, K, Remington, S.J.
Deposit date:2000-05-15
Release date:2000-11-17
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystallographic and energetic analysis of binding of selected anions to the yellow variants of green fluorescent protein.
J.Mol.Biol., 301, 2000
2M8U
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BU of 2m8u by Molmil
Solution structure of the Dictyostelium discodieum Myosin Light Chain, MlcC
Descriptor: Myosin Light Chain, MlcC
Authors:Liburd, J.D, Miller, E, Langelaan, D, Chitayat, S, Crawley, S.W, Cote, G.P, Smith, S.P.
Deposit date:2013-05-28
Release date:2014-12-24
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure of the Single-lobe Myosin Light Chain C in Complex with the Light Chain-binding Domains of Myosin-1C Provides Insights into Divergent IQ Motif Recognition.
J.Biol.Chem., 291, 2016
2CGI
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BU of 2cgi by Molmil
Siras structure of tetragonal lysozyme using derivative data collected at the high energy remote Holmium Kedge
Descriptor: CHLORIDE ION, LYSOZYME C
Authors:Jakoncic, J, Di Michiel, M, Zhong, Z, Honkimaki, V, Jouanneau, Y, Stojanoff, V.
Deposit date:2006-03-07
Release date:2006-11-13
Last modified:2019-01-23
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Anomalous Diffraction at Ultra-High Energy for Protein Crystallography.
J.Appl.Crystallogr., 39, 2006
2BXJ
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BU of 2bxj by Molmil
Double Mutant of the Ribosomal Protein S6
Descriptor: 30S RIBOSOMAL PROTEIN S6
Authors:Otzen, D.E.
Deposit date:2005-07-26
Release date:2005-10-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Antagonism, Non-Native Interactions and Non-Two-State Folding in S6 Revealed by Double-Mutant Cycle Analysis.
Protein Eng.Des.Sel., 18, 2005

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