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8EI0
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BU of 8ei0 by Molmil
Crystal structure of the STUB1 TPR domain in complex with H318, a Helicon Polypeptide
Descriptor: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase CHIP, H318, ...
Authors:Li, K, Swiecicki, J.-M, Tokareva, O.S, Thomson, T.M, Verdine, G.L, McGee, J.H.
Deposit date:2022-09-14
Release date:2023-10-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides.
Nat Commun, 14, 2023
8EI6
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BU of 8ei6 by Molmil
Crystal structure of the WWP2 HECT domain in complex with H305, a Helicon Polypeptide
Descriptor: H305, N,N'-(1,4-phenylene)diacetamide, NEDD4-like E3 ubiquitin-protein ligase WWP2
Authors:Li, K, Tokareva, O.S, Thomson, T.M, Verdine, G.L, McGee, J.H.
Deposit date:2022-09-14
Release date:2023-10-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.62 Å)
Cite:Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides.
Nat Commun, 14, 2023
8EI5
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BU of 8ei5 by Molmil
Crystal structure of the WWP2 HECT domain in complex with H301, a Helicon Polypeptide
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, H301, ...
Authors:Li, K, Tokareva, O.S, Thomson, T.M, Verdine, G.L, McGee, J.H.
Deposit date:2022-09-14
Release date:2023-10-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides.
Nat Commun, 14, 2023
8EIA
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BU of 8eia by Molmil
Crystal structure of beta-catenin and the MDM2 p53-binding domain in complex with H333, a Helicon Polypeptide
Descriptor: Catenin beta-1, E3 ubiquitin-protein ligase Mdm2, H333, ...
Authors:Li, K, Travaline, T.L, Swiecicki, J.-M, Tokareva, O.S, Thomson, T.M, Verdine, G.L, McGee, J.H.
Deposit date:2022-09-14
Release date:2023-10-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides.
Nat Commun, 14, 2023
2RPJ
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BU of 2rpj by Molmil
Solution structure of Fn14 CRD domain
Descriptor: Tumor necrosis factor receptor superfamily member 12A
Authors:He, F, Dang, W, Muto, Y, Inoue, M, Kigawa, T, Shirouzu, M, Terada, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2008-05-19
Release date:2009-03-24
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:Solution structure of the cysteine-rich domain in Fn14, a member of the tumor necrosis factor receptor superfamily
Protein Sci., 18, 2009
3PZC
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BU of 3pzc by Molmil
Crystal structure of class II aaRS homologue (Bll0957) complexed with Coenzyme A
Descriptor: ACETATE ION, Amino acid--[acyl-carrier-protein] ligase 1, COENZYME A, ...
Authors:Weygand-Durasevic, I, Luic, M, Mocibob, M, Ivic, N, Subasic, D.
Deposit date:2010-12-14
Release date:2011-10-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Substrate Recognition by Novel Family of Amino Acid:[Carrier Protein] Ligases
Croatica Chemica Acta, 84, 2011
1XJ3
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BU of 1xj3 by Molmil
bjFixLH in unliganded ferrous form
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Sensor protein fixL
Authors:Key, J, Moffat, K.
Deposit date:2004-09-22
Release date:2005-03-29
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structures of Deoxy and CO-Bound bjFixLH Reveal Details of Ligand Recognition and Signaling
Biochemistry, 44, 2005
3PT3
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BU of 3pt3 by Molmil
Crystal structure of the C-terminal lobe of the human UBR5 HECT domain
Descriptor: E3 ubiquitin-protein ligase UBR5
Authors:Matta-Camacho, E, Kozlov, G, Menade, M, Gehring, K.
Deposit date:2010-12-02
Release date:2012-01-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structure of the HECT C-lobe of the UBR5 E3 ubiquitin ligase.
Acta Crystallogr.,Sect.F, 68, 2012
1XJ6
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BU of 1xj6 by Molmil
Structure of bjFixLH in the unliganded ferrous form
Descriptor: CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION, ...
Authors:Key, J, Moffat, K.
Deposit date:2004-09-22
Release date:2005-03-29
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structures of Deoxy and CO-Bound bjFixLH Reveal Details of Ligand Recognition and Signaling
Biochemistry, 44, 2005
2CMO
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BU of 2cmo by Molmil
The structure of a mixed glur2 ligand-binding core dimer in complex with (s)-glutamate and the antagonist (s)-ns1209
Descriptor: 2-({[(3E)-5-{4-[(DIMETHYLAMINO)(DIHYDROXY)-LAMBDA~4~-SULFANYL]PHENYL}-8-METHYL-2-OXO-6,7,8,9-TETRAHYDRO-1H-PYRROLO[3,2-H]ISOQUINOLIN-3(2H)-YLIDENE]AMINO}OXY)-4-HYDROXYBUTANOIC ACID, GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, ...
Authors:Kasper, C, Pickering, D.S, Mirza, O, Olsen, L, Kristensen, A.S, Greenwood, J.R, Liljefors, T, Schousboe, A, Watjen, F, Gajhede, M, Sigurskjold, B.W, Kastrup, J.S.
Deposit date:2006-05-11
Release date:2006-06-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:The Structure of a Mixed Glur2 Ligand-Binding Core Dimer in Complex with (S)-Glutamate and the Antagonist (S)-Ns1209.
J.Mol.Biol., 357, 2006
1SLD
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BU of 1sld by Molmil
STREPTAVIDIN, PH 7.5, BOUND TO CYCLIC DISULFIDE-BONDED PEPTIDE LIGAND AC-CHPQFC-NH2
Descriptor: CYCLO-AC-CHPQFC-NH2, STREPTAVIDIN
Authors:Katz, B.A.
Deposit date:1995-03-10
Release date:1996-04-03
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Binding to protein targets of peptidic leads discovered by phage display: crystal structures of streptavidin-bound linear and cyclic peptide ligands containing the HPQ sequence
Biochemistry, 34, 1995
8X6B
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BU of 8x6b by Molmil
Crystal structure of immune receptor PVRIG in complex with ligand Nectin-2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Nectin-2, Transmembrane protein PVRIG
Authors:Hu, S.T, Han, P, Wang, H, Qi, J.X.
Deposit date:2023-11-21
Release date:2024-04-24
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for the immune recognition and selectivity of the immune receptor PVRIG for ligand Nectin-2.
Structure, 32, 2024
4IOP
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BU of 4iop by Molmil
Crystal structure of NKp65 bound to its ligand KACL
Descriptor: C-type lectin domain family 2 member A, Killer cell lectin-like receptor subfamily F member 2, alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Li, Y.
Deposit date:2013-01-08
Release date:2013-07-17
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure of NKp65 bound to its keratinocyte ligand reveals basis for genetically linked recognition in natural killer gene complex.
Proc.Natl.Acad.Sci.USA, 110, 2013
8WDT
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BU of 8wdt by Molmil
Crystal structure of the human adenosine A2A receptor in complex with photoresponsive ligand photoNECA(blue)
Descriptor: (2S,3S,4R,5R)-5-(6-amino-2-((E)-phenyldiazenyl)-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydrofuran-2-carboxamide, Adenosine receptor A2a, Antibody Fab fragment heavy chain, ...
Authors:Araya, T, Asada, H, Iwata, S, Im, D.H.
Deposit date:2023-09-16
Release date:2024-01-17
Method:X-RAY DIFFRACTION (3.34 Å)
Cite:Crystal structure reveals the binding mode and selectivity of a photoswitchable ligand for the adenosine A 2A receptor.
Biochem.Biophys.Res.Commun., 695, 2023
8AZA
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BU of 8aza by Molmil
Structure of RIP2K dimer bound to the XIAP BIR2 domain
Descriptor: E3 ubiquitin-protein ligase XIAP, Receptor-interacting serine/threonine-protein kinase 2, ZINC ION
Authors:Pellegrini, E, Cusack, S.
Deposit date:2022-09-05
Release date:2022-10-26
Last modified:2023-09-20
Method:ELECTRON MICROSCOPY (3.15 Å)
Cite:Structure shows that the BIR2 domain of E3 ligase XIAP binds across the RIPK2 kinase dimer interface.
Life Sci Alliance, 6, 2023
4NVG
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BU of 4nvg by Molmil
Predicting protein conformational response in prospective ligand discovery
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome c peroxidase, PHOSPHATE ION, ...
Authors:Fischer, M, Fraser, J.S.
Deposit date:2013-12-05
Release date:2013-12-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.742 Å)
Cite:Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
4NVJ
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BU of 4nvj by Molmil
Predicting protein conformational response in prospective ligand discovery.
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Fischer, M, Fraser, J.S.
Deposit date:2013-12-05
Release date:2013-12-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.813 Å)
Cite:Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
4NVF
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BU of 4nvf by Molmil
Predicting protein conformational response in prospective ligand discovery
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Fischer, M, Fraser, J.S.
Deposit date:2013-12-05
Release date:2013-12-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
1Z56
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BU of 1z56 by Molmil
Co-Crystal Structure of Lif1p-Lig4p
Descriptor: DNA ligase IV, Ligase interacting factor 1
Authors:Dore, A.S, Furnham, N, Davies, O.R, Sibanda, B.L, Chirgadze, D.Y, Jackson, S.P, Pellegrini, L, Blundell, T.L.
Deposit date:2005-03-17
Release date:2006-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.92 Å)
Cite:Structure of an Xrcc4-DNA ligase IV yeast ortholog complex reveals a novel BRCT interaction mode.
DNA REPAIR, 5, 2006
3E9E
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BU of 3e9e by Molmil
Structure of full-length H11A mutant form of TIGAR from Danio rerio
Descriptor: PHOSPHATE ION, Zgc:56074
Authors:Li, H, Jogl, G.
Deposit date:2008-08-21
Release date:2008-12-16
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:TIGAR (TP53 induced glycolysis and apoptosis regulator) is a fructose-2,6- and fructose-1,6-bisphosphatase
To be Published
7QRX
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BU of 7qrx by Molmil
Crystal structure of NHL domain of TRIM71
Descriptor: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase TRIM71
Authors:Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2022-01-12
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Comparative structural analyses of the NHL domains from the human E3 ligase TRIM-NHL family.
Iucrj, 9, 2022
4DSN
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BU of 4dsn by Molmil
Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity
Descriptor: 1,2-ETHANEDIOL, GTPase KRas, isoform 2B, ...
Authors:Oh, A, Maurer, T, Garrenton, L.S, Pitts, K, Anderson, D.J, Skelton, N.J, Fauber, B.P, Pan, B, Malek, S, Stokoe, D, Ludlam, M, Bowman, K.K, Wu, J, Giannetti, A.M, Starovasnik, M.A, Mellman, I, Jackson, P.K, Ruldolph, J, Fang, G, Wang, W.
Deposit date:2012-02-19
Release date:2012-04-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity.
Proc.Natl.Acad.Sci.USA, 109, 2012
4NVN
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BU of 4nvn by Molmil
Predicting protein conformational response in prospective ligand discovery
Descriptor: 2,3-dihydrobenzo[h][1,6]naphthyridin-4(1H)-one, Cytochrome c peroxidase, PHOSPHATE ION, ...
Authors:Fischer, M, Fraser, J.S.
Deposit date:2013-12-05
Release date:2013-12-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
4NVE
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BU of 4nve by Molmil
Predicting protein conformational response in prospective ligand discovery
Descriptor: BENZIMIDAZOLE, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Fischer, M, Fraser, J.S.
Deposit date:2013-12-05
Release date:2013-12-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
4NVO
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BU of 4nvo by Molmil
Predicting protein conformational response in prospective ligand discovery
Descriptor: 3-(thiophen-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Fischer, M, Fraser, J.S.
Deposit date:2013-12-05
Release date:2013-12-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014

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