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2DVJ
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BU of 2dvj by Molmil
phosphorylated Crk-II
Descriptor: V-crk sarcoma virus CT10 oncogene homolog, isoform a
Authors:Kobashigawa, Y, Inagaki, F.
Deposit date:2006-07-31
Release date:2007-05-08
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:Structural basis for the transforming activity of human cancer-related signaling adaptor protein CRK.
Nat.Struct.Mol.Biol., 14, 2007
7K1R
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BU of 7k1r by Molmil
X-ray Structure of an Enterobacter GH43 Beta-Xylosidase: EcXyl43 F507A mutant
Descriptor: Beta xylosidase GH43, CALCIUM ION, GLYCEROL
Authors:Briganti, L, Capetti, C.C.M, Polikarpov, I.
Deposit date:2020-09-08
Release date:2021-11-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:X-ray Structure of an Enterobacter GH43 Beta-Xylosidase: EcXyl43 F507A mutant
To Be Published
4R6Q
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BU of 4r6q by Molmil
Jacalin-carbohydrate interactions. Distortion of the ligand as a determinant of affinity.
Descriptor: 1,2-ETHANEDIOL, Agglutinin alpha chain, Agglutinin beta-3 chain, ...
Authors:Abhinav, K.V, Sharma, K, Swaminathan, C.P, Surolia, A, Vijayan, M.
Deposit date:2014-08-26
Release date:2015-02-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Jacalin-carbohydrate interactions: distortion of the ligand molecule as a determinant of affinity.
Acta Crystallogr.,Sect.D, 71, 2015
4R6O
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BU of 4r6o by Molmil
Jacalin-carbohydrate interactions. Distortion of the ligand as a determinant of affinity.
Descriptor: 1,2-ETHANEDIOL, 4-METHYL-2H-CHROMEN-2-ONE, Agglutinin alpha chain, ...
Authors:Abhinav, K.V, Sharma, K, Swaminathan, C.P, Surolia, A, Vijayan, M.
Deposit date:2014-08-26
Release date:2015-02-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Jacalin-carbohydrate interactions: distortion of the ligand molecule as a determinant of affinity.
Acta Crystallogr.,Sect.D, 71, 2015
4R6P
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BU of 4r6p by Molmil
Jacalin-carbohydrate interactions. Distortion of the ligand as a determinant of affinity.
Descriptor: 1,2-ETHANEDIOL, 4-METHYL-2H-CHROMEN-2-ONE, Agglutinin alpha chain, ...
Authors:Abhinav, K.V, Sharma, K, Swaminathan, C.P, Surolia, A, Vijayan, M.
Deposit date:2014-08-26
Release date:2015-02-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Jacalin-carbohydrate interactions: distortion of the ligand molecule as a determinant of affinity.
Acta Crystallogr.,Sect.D, 71, 2015
4R6N
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BU of 4r6n by Molmil
Jacalin-carbohydrate interactions. Distortion of the ligand as a determinant of affinity
Descriptor: 1,2-ETHANEDIOL, Agglutinin alpha chain, Agglutinin beta-3 chain, ...
Authors:Abhinav, K.V, Sharma, K, Swaminathan, C.P, Surolia, A, Vijayan, M.
Deposit date:2014-08-26
Release date:2015-02-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Jacalin-carbohydrate interactions: distortion of the ligand molecule as a determinant of affinity.
Acta Crystallogr.,Sect.D, 71, 2015
7TTZ
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BU of 7ttz by Molmil
Heterodimeric IgA Fc in complex with Staphylococcus aureus protein SSL7
Descriptor: 1,2-ETHANEDIOL, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Boulanger, M.J, Verstraete, M, Heinkel, F, Escobar, E, Dixit, S, Von Kreudenstein, T.S.
Deposit date:2022-02-02
Release date:2023-02-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Engineering a pure and stable heterodimeric IgA for the development of multispecific therapeutics.
Mabs, 14, 2022
7QEZ
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BU of 7qez by Molmil
Crystal structure of the SARS-CoV-2 RBD in complex with the ultrapotent antibody CV2.1169 and CR3022
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CR3022 heavy chain, CR3022 light chain, ...
Authors:Fernandez, I, Rey, F.A.
Deposit date:2021-12-03
Release date:2022-05-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Potent human broadly SARS-CoV-2-neutralizing IgA and IgG antibodies effective against Omicron BA.1 and BA.2.
J.Exp.Med., 219, 2022
1AEE
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BU of 1aee by Molmil
SPECIFICITY OF LIGAND BINDING TO A BURIED POLAR CAVITY AT THE ACTIVE SITE OF CYTOCHROME C PEROXIDASE (ANILINE)
Descriptor: ANILINE, CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Musah, R.A, Jensen, G.M, Fitzgerald, M.M, Mcree, D.E, Goodin, D.B.
Deposit date:1997-02-24
Release date:1997-09-04
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Artificial protein cavities as specific ligand-binding templates: characterization of an engineered heterocyclic cation-binding site that preserves the evolved specificity of the parent protein.
J.Mol.Biol., 315, 2002
184L
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BU of 184l by Molmil
SPECIFICITY OF LIGAND BINDING IN A BURIED NON-POLAR CAVITY OF T4 LYSOZYME: LINKAGE OF DYNAMICS AND STRUCTURAL PLASTICITY
Descriptor: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, ISOBUTYLBENZENE, ...
Authors:Morton, A, Matthews, B.W.
Deposit date:1995-04-19
Release date:1995-07-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Specificity of ligand binding in a buried nonpolar cavity of T4 lysozyme: linkage of dynamics and structural plasticity.
Biochemistry, 34, 1995
183L
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BU of 183l by Molmil
SPECIFICITY OF LIGAND BINDING IN A BURIED NON-POLAR CAVITY OF T4 LYSOZYME: LINKAGE OF DYNAMICS AND STRUCTURAL PLASTICITY
Descriptor: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, INDENE, ...
Authors:Morton, A, Matthews, B.W.
Deposit date:1995-04-19
Release date:1995-07-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Specificity of ligand binding in a buried nonpolar cavity of T4 lysozyme: linkage of dynamics and structural plasticity.
Biochemistry, 34, 1995
8P82
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BU of 8p82 by Molmil
Cryo-EM structure of dimeric UBR5
Descriptor: E3 ubiquitin-protein ligase UBR5, ZINC ION
Authors:Aguirre, J.D, Kater, L, Kempf, G, Cavadini, S, Thoma, N.H.
Deposit date:2023-05-31
Release date:2023-06-14
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.36 Å)
Cite:UBR5 forms ligand-dependent complexes on chromatin to regulate nuclear hormone receptor stability.
Mol.Cell, 83, 2023
8P83
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BU of 8p83 by Molmil
Cryo-EM structure of full-length human UBR5 (homotetramer)
Descriptor: E3 ubiquitin-protein ligase UBR5
Authors:Aguirre, J.D, Kater, L, Kempf, G, Cavadini, S, Thoma, N.H.
Deposit date:2023-05-31
Release date:2023-06-14
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (3.87 Å)
Cite:UBR5 forms ligand-dependent complexes on chromatin to regulate nuclear hormone receptor stability.
Mol.Cell, 83, 2023
1SYI
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BU of 1syi by Molmil
X-RAY STRUCTURE OF THE Y702F MUTANT OF THE GLUR2 LIGAND-BINDING CORE (S1S2J) IN COMPLEX WITH (S)-CPW399 AT 2.1 A RESOLUTION.
Descriptor: (S)-2-AMINO-3-(1,3,5,7-PENTAHYDRO-2,4-DIOXO-CYCLOPENTA[E]PYRIMIDIN-1-YL) PROIONIC ACID, Glutamate receptor 2
Authors:Frandsen, A, Pickering, D.S, Vestergaard, B, Kasper, C, Nielsen, B.B, Greenwood, J.R, Campiani, G, Gajhede, M, Schousboe, A, Kastrup, J.S.
Deposit date:2004-04-01
Release date:2005-03-22
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Tyr702 Is an Important Determinant of Agonist Binding and Domain Closure of the Ligand-Binding Core of GluR2.
Mol.Pharmacol., 67, 2005
4IL4
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BU of 4il4 by Molmil
The pentameric ligand-gated ion channel GLIC in complex with Se-DDM
Descriptor: ACETATE ION, CHLORIDE ION, Proton-gated ion channel, ...
Authors:Sauguet, L, Malherbe, L, Corringer, P.J, Delarue, M.
Deposit date:2012-12-29
Release date:2013-02-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural basis for ion permeation mechanism in pentameric ligand-gated ion channels.
Embo J., 32, 2013
1SYH
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BU of 1syh by Molmil
X-RAY STRUCTURE OF THE GLUR2 LIGAND-BINDING CORE (S1S2J) IN COMPLEX WITH (S)-CPW399 AT 1.85 A RESOLUTION.
Descriptor: (S)-2-AMINO-3-(1,3,5,7-PENTAHYDRO-2,4-DIOXO-CYCLOPENTA[E]PYRIMIDIN-1-YL) PROIONIC ACID, Glutamate receptor 2
Authors:Frandsen, A, Pickering, D.S, Vestergaard, B, Kasper, C, Nielsen, B.B, Greenwood, J.R, Campiani, G, Gajhede, M, Schousboe, A, Kastrup, J.S.
Deposit date:2004-04-01
Release date:2005-03-22
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Tyr702 Is an Important Determinant of Agonist Binding and Domain Closure of the Ligand-Binding Core of GluR2.
Mol.Pharmacol., 67, 2005
2QEJ
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BU of 2qej by Molmil
Crystal structure of a Staphylococcus aureus protein (SSL7) in complex with Fc of human IgA1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ...
Authors:Ramsland, P.A, Willoughby, N, Trist, H.M, Farrugia, W, Hogarth, P.M, Fraser, J.D, Wines, B.D.
Deposit date:2007-06-26
Release date:2007-09-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis for evasion of IgA immunity by Staphylococcus aureus revealed in the complex of SSL7 with Fc of human IgA1
Proc.Natl.Acad.Sci.Usa, 104, 2007
1JZL
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BU of 1jzl by Molmil
Crystal structure of Sapharca inaequivalvis HbI, I114M mutant ligated to carbon monoxide.
Descriptor: CARBON MONOXIDE, GLOBIN I - ARK SHELL, PROTOPORPHYRIN IX CONTAINING FE
Authors:Knapp, J.E, Gibson, Q.H, Cushing, L, Royer Jr, W.E.
Deposit date:2001-09-16
Release date:2001-12-19
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Restricting the Ligand-Linked Heme Movement in Scapharca Dimeric Hemoglobin Reveals Tight Coupling between Distal and Proximal Contributions to Cooperativity.
Biochemistry, 40, 2001
2I1P
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BU of 2i1p by Molmil
Solution structure of the twelfth cysteine-rich ligand-binding repeat in rat megalin
Descriptor: CALCIUM ION, Low-density lipoprotein receptor-related protein 2
Authors:Wolf, C.A, Dancea, F, Shi, M, Bade-Noskova, V, Rueterjans, H, Kerjaschki, D, Luecke, C.
Deposit date:2006-08-14
Release date:2007-02-13
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution structure of the twelfth cysteine-rich ligand-binding repeat in rat megalin.
J.Biomol.Nmr, 37, 2007
6FMK
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BU of 6fmk by Molmil
pVHL:EloB:EloC in complex with N-((S)-1-((2S,4R)-4-hydroxy-2-((4-(4-methylthiazol-5-yl)benzyl)carbamothioyl) pyrrolidin-1-yl)-1-thioxopropan-2-yl)acetamide (ligand 4)
Descriptor: Elongin-B, Elongin-C, von Hippel-Lindau disease tumor suppressor, ...
Authors:Soares, P, Lucas, X, Ciulli, A.
Deposit date:2018-01-31
Release date:2018-04-11
Last modified:2018-06-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Thioamide substitution to probe the hydroxyproline recognition of VHL ligands.
Bioorg. Med. Chem., 26, 2018
1AEU
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BU of 1aeu by Molmil
SPECIFICITY OF LIGAND BINDING IN A POLAR CAVITY OF CYTOCHROME C PEROXIDASE (2-METHYLIMIDAZOLE)
Descriptor: 2-METHYLIMIDAZOLE, CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Musah, R.A, Jensen, G.M, Fitzgerald, M.M, Mcree, D.E, Goodin, D.B.
Deposit date:1997-02-25
Release date:1997-09-04
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A ligand-gated, hinged loop rearrangement opens a channel to a buried artificial protein cavity.
Nat.Struct.Biol., 3, 1996
6FMI
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BU of 6fmi by Molmil
pVHL:EloB:EloC in complex with N-((S)-1-((2S,4R)-4-Hydroxy-2-((4-(4-methylthiazol-5-yl)benzyl)carbamothioyl) pyrrolidin-1-yl)-1-oxopropan-2-yl)acetamide (ligand 2)
Descriptor: Elongin-B, Elongin-C, von Hippel-Lindau disease tumor suppressor, ...
Authors:Soares, P, Lucas, X, Ciulli, A.
Deposit date:2018-01-31
Release date:2018-04-11
Last modified:2018-06-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Thioamide substitution to probe the hydroxyproline recognition of VHL ligands.
Bioorg. Med. Chem., 26, 2018
6IDE
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BU of 6ide by Molmil
Crystal structure of the Vibrio cholera VqmA-Ligand-DNA complex provides molecular mechanisms for drug design
Descriptor: 3,5-dimethylpyrazin-2-ol, DNA (5'-D(*AP*GP*GP*GP*GP*GP*GP*AP*AP*AP*TP*CP*CP*CP*CP*CP*CP*T)-3'), DNA (5'-D(*AP*GP*GP*GP*GP*GP*GP*AP*TP*TP*TP*CP*CP*CP*CP*CP*CP*T)-3'), ...
Authors:Wu, H, Li, M.J, Guo, H.J, Zhou, H, Li, B, Xu, Q, Xu, C.Y, Yu, F, He, J.H.
Deposit date:2018-09-09
Release date:2019-01-16
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Crystal structure of theVibrio choleraeVqmA-ligand-DNA complex provides insight into ligand-binding mechanisms relevant for drug design.
J. Biol. Chem., 294, 2019
3EN3
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BU of 3en3 by Molmil
Crystal Structure of the GluR4 Ligand-Binding domain in complex with kainate
Descriptor: 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, Glutamate receptor 4,Glutamate receptor
Authors:Gill, A, Madden, D.R.
Deposit date:2008-09-25
Release date:2009-05-19
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Correlating AMPA receptor activation and cleft closure across subunits: crystal structures of the GluR4 ligand-binding domain in complex with full and partial agonists
Biochemistry, 47, 2008
3EPE
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BU of 3epe by Molmil
Crystal Structure of the GluR4 Ligand-Binding domain in complex with glutamate
Descriptor: GLUTAMIC ACID, Glutamate receptor 4,Glutamate receptor
Authors:Gill, A, Madden, D.R.
Deposit date:2008-09-29
Release date:2009-05-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Correlating AMPA receptor activation and cleft closure across subunits: crystal structures of the GluR4 ligand-binding domain in complex with full and partial agonists
Biochemistry, 47, 2008

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