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3SMO
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BU of 3smo by Molmil
Crystal structure of human 14-3-3 sigma C38V/N166H in complex with TASK-3 peptide and stabilizer Fusicoccin J aglycone
Descriptor: 14-3-3 protein sigma, Fusicoccin J aglycone, MAGNESIUM ION, ...
Authors:Anders, C, Schumacher, B, Ottmann, C.
Deposit date:2011-06-28
Release date:2012-07-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of K+ channels at the cell surface.
Chem. Biol., 20, 2013
8ES7
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BU of 8es7 by Molmil
CryoEM structure of PN45545 TCR-CD3 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ...
Authors:Saotome, K, Franklin, M.C.
Deposit date:2022-10-13
Release date:2023-05-03
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Structural analysis of cancer-relevant TCR-CD3 and peptide-MHC complexes by cryoEM.
Nat Commun, 14, 2023
3S34
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BU of 3s34 by Molmil
Structure of the 1121B Fab fragment
Descriptor: 1121B Fab heavy chain, 1121B Fab light chain, PHOSPHATE ION
Authors:Franklin, M.C.
Deposit date:2011-05-17
Release date:2011-08-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Structural Basis for the Function of Two Anti-VEGF Receptor 2 Antibodies.
Structure, 19, 2011
3S5L
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BU of 3s5l by Molmil
Crystal structure of CD4 mutant bound to HLA-DR1
Descriptor: GLYCEROL, HA peptide, HLA class II histocompatibility antigen DR beta chain, ...
Authors:Li, Y.
Deposit date:2011-05-23
Release date:2011-09-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Affinity maturation of human CD4 by yeast surface display and crystal structure of a CD4-HLA-DR1 complex.
Proc.Natl.Acad.Sci.USA, 108, 2011
3SBI
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BU of 3sbi by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 4-[(2-pyrimidinylsulfanyl)acetyl]benzenesulfonamide
Descriptor: 4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide, BICINE, Carbonic anhydrase 2, ...
Authors:Grazulis, S, Manakova, E, Tamulaitiene, G.
Deposit date:2011-06-05
Release date:2012-04-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Design of [(2-pyrimidinylthio)acetyl]benzenesulfonamides as inhibitors of human carbonic anhydrases.
Eur.J.Med.Chem., 51, 2012
3U23
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BU of 3u23 by Molmil
Atomic resolution crystal structure of the 2nd SH3 domain from human CD2AP (CMS) in complex with a proline-rich peptide from human RIN3
Descriptor: 1,2-ETHANEDIOL, CD2-associated protein, Ras and Rab interactor 3
Authors:Simister, P.C, Rouka, E, Janning, M, Muniz, J.R.C, Kirsch, K.H, Knapp, S, von Delft, F, Filippakopoulos, P, Arrowsmith, C.H, Krojer, T, Edwards, A.M, Weigelt, J, Bountra, C, Feller, S.M, Structural Genomics Consortium (SGC)
Deposit date:2011-09-30
Release date:2011-12-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:Differential Recognition Preferences of the Three Src Homology 3 (SH3) Domains from the Adaptor CD2-associated Protein (CD2AP) and Direct Association with Ras and Rab Interactor 3 (RIN3).
J.Biol.Chem., 290, 2015
3TK3
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BU of 3tk3 by Molmil
Cytochrome P450 2B4 mutant L437A in complex with 4-(4-chlorophenyl)imidazole
Descriptor: 4-(4-CHLOROPHENYL)IMIDAZOLE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Gay, S.C, Jang, H.H, Wilderman, P.R, Zhang, Q, Stout, C.D, Halpert, J.R.
Deposit date:2011-08-25
Release date:2011-11-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.8001 Å)
Cite:Investigation by site-directed mutagenesis of the role of cytochrome P450 2B4 non-active-site residues in protein-ligand interactions based on crystal structures of the ligand-bound enzyme.
Febs J., 279, 2012
3R32
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BU of 3r32 by Molmil
Crystal structure of Arthrobacter sp. strain SU 4-hydroxybenzoyl CoA thioesterase mutant E73A complexed with 4-hydroxyphenacyl CoA
Descriptor: 4-HYDROXYPHENACYL COENZYME A, 4-hydroxybenzoyl-CoA thioesterase
Authors:Holden, H.M, Thoden, J.B, Song, F, Zhuang, Z, Trujillo, M, Dunaway-Mariano, D.
Deposit date:2011-03-15
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Catalytic Mechanism of the Hotdog-fold Enzyme Superfamily 4-Hydroxybenzoyl-CoA Thioesterase from Arthrobacter sp. Strain SU.
Biochemistry, 51, 2012
3R3A
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BU of 3r3a by Molmil
Crystal structure of Arthrobacter sp. strain SU 4-hydroxybenzoyl CoA thioesterase mutant Q58A complexed with 4-hydroxybenzoic acid and CoA
Descriptor: 4-hydroxybenzoyl-CoA thioesterase, COENZYME A, P-HYDROXYBENZOIC ACID
Authors:Holden, H.M, Thoden, J.B, Song, F, Zhuang, Z, Trujillo, M, Dunaway-Mariano, D.
Deposit date:2011-03-15
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Catalytic Mechanism of the Hotdog-fold Enzyme Superfamily 4-Hydroxybenzoyl-CoA Thioesterase from Arthrobacter sp. Strain SU.
Biochemistry, 51, 2012
3SNE
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BU of 3sne by Molmil
Crystal structure of SARS coronavirus main protease complexed with Ac-ESTLQ-H (Soaking)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3C-like proteinase, Peptide aldehyde inhibitor Ac-ESTLQ-H
Authors:Zhu, L, Hilgenfeld, R.
Deposit date:2011-06-29
Release date:2011-09-07
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Peptide aldehyde inhibitors challenge the substrate specificity of the SARS-coronavirus main protease.
Antiviral Res., 92, 2011
3SND
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BU of 3snd by Molmil
Crystal structure of SARS coronavirus main protease complexed with Ac-ESTLQ-H (cocrystallization)
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 3C-like proteinase, Peptide aldehyde inhibitor Ac-ESTLQ-H
Authors:Zhu, L, Hilgenfeld, R.
Deposit date:2011-06-29
Release date:2011-09-07
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Peptide aldehyde inhibitors challenge the substrate specificity of the SARS-coronavirus main protease.
Antiviral Res., 92, 2011
3S35
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BU of 3s35 by Molmil
Structural basis for the function of two anti-VEGF receptor antibodies
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 6.64 Fab heavy chain, ...
Authors:Franklin, M.C.
Deposit date:2011-05-17
Release date:2011-08-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Structural Basis for the Function of Two Anti-VEGF Receptor 2 Antibodies.
Structure, 19, 2011
3SID
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BU of 3sid by Molmil
Crystal structure of oxidized Symerythrin from Cyanophora paradoxa, azide adduct at 50% occupancy
Descriptor: AZIDE ION, FE (III) ION, Symerythrin
Authors:Cooley, R.B, Arp, D.J, Karplus, P.A.
Deposit date:2011-06-17
Release date:2011-08-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Symerythrin structures at atomic resolution and the origins of rubrerythrins and the ferritin-like superfamily.
J.Mol.Biol., 413, 2011
4DUM
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BU of 4dum by Molmil
Co-crystal structure of eIF4E with inhibitor
Descriptor: (4-{7-[2-(4-chlorophenoxy)ethyl]-2-(methylamino)-6-oxo-6,7-dihydro-1H-purin-8-yl}phenyl)phosphonic acid, 1,2-ETHANEDIOL, Eukaryotic translation initiation factor 4E
Authors:Min, X, Johnstone, S, Walker, N, Wang, Z.
Deposit date:2012-02-22
Release date:2012-04-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structure-Guided Design, Synthesis, and Evaluation of Guanine-Derived Inhibitors of the eIF4E mRNA-Cap Interaction.
J.Med.Chem., 55, 2012
3SNC
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BU of 3snc by Molmil
Crystal structure of SARS coronavirus main protease complexed with Ac-NSTSQ-H (soaking)
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, Peptide aldehyde inhibitor Ac-NSTSQ-H
Authors:Zhu, L, Hilgenfeld, R.
Deposit date:2011-06-29
Release date:2011-09-07
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Peptide aldehyde inhibitors challenge the substrate specificity of the SARS-coronavirus main protease.
Antiviral Res., 92, 2011
3SO9
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BU of 3so9 by Molmil
Darunavir in Complex with a Human Immunodeficiency Virus Type 1 Protease Variant
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, HIV-1 protease
Authors:Wang, Y, Liu, Z, Brunzelle, S.J, Kovari, L.C, Kovari, I.A.
Deposit date:2011-06-30
Release date:2011-10-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:The higher barrier of darunavir and tipranavir resistance for HIV-1 protease.
Biochem.Biophys.Res.Commun., 412, 2011
3S37
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BU of 3s37 by Molmil
Structural basis for the function of two anti-VEGF receptor antibodies
Descriptor: 1121B Fab heavy chain, 1121B Fab light chain, Vascular endothelial growth factor receptor 2
Authors:Franklin, M.C.
Deposit date:2011-05-17
Release date:2011-08-24
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The Structural Basis for the Function of Two Anti-VEGF Receptor 2 Antibodies.
Structure, 19, 2011
3TS0
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BU of 3ts0 by Molmil
Mouse Lin28A in complex with let-7f-1 microRNA pre-element
Descriptor: Protein lin-28 homolog A, RNA (5'-R(*GP*GP*GP*GP*UP*AP*GP*UP*GP*AP*UP*UP*UP*UP*AP*CP*CP*CP*UP*GP*GP*AP*G)-3'), ZINC ION
Authors:Nam, Y, Sliz, P.
Deposit date:2011-09-11
Release date:2011-11-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.763 Å)
Cite:Molecular Basis for Interaction of let-7 MicroRNAs with Lin28.
Cell(Cambridge,Mass.), 147, 2011
3TW0
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BU of 3tw0 by Molmil
Structural Analysis of Adhesive Tip pilin, GBS104 from Group B Streptococcus agalactiae
Descriptor: ACETATE ION, Cell wall surface anchor family protein, MAGNESIUM ION
Authors:Krishnan, V, Narayana, S.V.L.
Deposit date:2011-09-21
Release date:2013-03-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of Streptococcus agalactiae tip pilin GBS104: a model for GBS pili assembly and host interactions.
Acta Crystallogr.,Sect.D, 69, 2013
3TXA
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BU of 3txa by Molmil
Structural Analysis of Adhesive Tip pilin, GBS104 from Group B Streptococcus agalactiae
Descriptor: CADMIUM ION, Cell wall surface anchor family protein, LITHIUM ION, ...
Authors:Krishnan, V, Narayana, S.V.L.
Deposit date:2011-09-23
Release date:2013-03-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.619 Å)
Cite:Structure of Streptococcus agalactiae tip pilin GBS104: a model for GBS pili assembly and host interactions.
Acta Crystallogr.,Sect.D, 69, 2013
3U8K
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BU of 3u8k by Molmil
Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3573 (1-(5-ethoxypyridin-3-yl)-1,4-diazepane)
Descriptor: 1-(5-ethoxypyridin-3-yl)-1,4-diazepane, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholine-binding protein, ...
Authors:Rohde, L.A.H, Ahring, P.K, Jensen, M.L, Nielsen, E.O, Peters, D, Helgstrand, C, Krintel, C, Harpsoe, K, Gajhede, M, Kastrup, J.S, Balle, T.
Deposit date:2011-10-17
Release date:2011-12-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Intersubunit bridge formation governs agonist efficacy at nicotinic acetylcholine alpha 4 beta 2 receptors: unique role of halogen bonding revealed.
J.Biol.Chem., 287, 2012
3TLR
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BU of 3tlr by Molmil
Crystal Structure of the tetrameric Beta-2 microglobulin DIMC20 mutant
Descriptor: Beta-2-microglobulin, CADMIUM ION, SODIUM ION
Authors:Colombo, M, Ricagno, S, Bolognesi, M.
Deposit date:2011-08-30
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:A recurrent D-strand association interface is observed in beta-2 microglobulin oligomers.
Febs J., 279, 2012
6WQ1
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BU of 6wq1 by Molmil
Eukaryotic LanCL2 protein
Descriptor: LanC-like protein 2, ZINC ION
Authors:Nair, S.K, Garg, N.
Deposit date:2020-04-28
Release date:2021-05-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.295 Å)
Cite:LanCLs add glutathione to dehydroamino acids generated at phosphorylated sites in the proteome.
Cell, 184, 2021
4CA1
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BU of 4ca1 by Molmil
Crystal structure of Siah1 at 1.58 A resolution.
Descriptor: CHLORIDE ION, E3 UBIQUITIN-PROTEIN LIGASE SIAH1, GLYCEROL, ...
Authors:Rimsa, V, Eadsforth, T.C, Hunter, W.N.
Deposit date:2013-10-04
Release date:2013-10-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Two High-Resolution Structures of the Human E3 Ubiquitin Ligase Siah1.
Acta Crystallogr.,Sect.F, 96, 2013
3TZM
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BU of 3tzm by Molmil
TGF-beta Receptor type 1 in complex with SB431542
Descriptor: 4-[5-(1,3-benzodioxol-5-yl)-4-(pyridin-2-yl)-1H-imidazol-2-yl]benzamide, TGF-beta receptor type-1
Authors:Ogunjimi, A.A, Zeqiraj, E, Ceccarelli, D.F, Sicheri, F.
Deposit date:2011-09-27
Release date:2012-05-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Basis for Specificity of TGFbeta Family Receptor Small Molecule Inhibitors
Cell Signal, 24, 2012

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