1WGM
 
 | | Solution structure of the U-box in human ubiquitin conjugation factor E4A | | Descriptor: | Ubiquitin conjugation factor E4A | | Authors: | Saito, K, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2004-05-28 | | Release date: | 2004-11-28 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the U-box in human ubiquitin conjugation factor E4A
To be Published
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5FII
 | | Structure of a human aspartate kinase, chorismate mutase and TyrA domain. | | Descriptor: | PHENYLALANINE, PHENYLALANINE-4-HYDROXYLASE | | Authors: | Patel, D, Kopec, J, Shrestha, L, Fitzpatrick, F, Pinkas, D, Chaikuad, A, Dixon-Clarke, S, McCorvie, T.J, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W. | | Deposit date: | 2015-09-25 | | Release date: | 2016-03-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Basis for Ligand-Dependent Dimerization of Phenylalanine Hydroxylase Regulatory Domain.
Sci.Rep., 6, 2016
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2J3S
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2M1C
 | | HADDOCK structure of GtYybT PAS Homodimer | | Descriptor: | DHH subfamily 1 protein | | Authors: | Liang, Z.X, Pervushin, K, Tan, E, Rao, F, Pasunooti, S, Soehano, I, Lescar, J. | | Deposit date: | 2012-11-25 | | Release date: | 2013-03-27 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of the PAS Domain of a Thermophilic YybT Protein Homolog Reveals a Potential Ligand-binding Site.
J.Biol.Chem., 288, 2013
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2ZZD
 | | Recombinant thiocyanate hydrolase, air-oxidized form of holo-enzyme | | Descriptor: | COBALT (III) ION, L(+)-TARTARIC ACID, Thiocyanate hydrolase subunit alpha, ... | | Authors: | Arakawa, T, Kawano, Y, Katayama, Y, Yohda, M, Odaka, M. | | Deposit date: | 2009-02-09 | | Release date: | 2009-10-13 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Structural Basis for Catalytic Activation of Thiocyanate Hydrolase Involving Metal-Ligated Cysteine Modification
J.Am.Chem.Soc., 131, 2009
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4EJZ
 | | Structure of MBOgg1 in complex with low affinity DNA ligand | | Descriptor: | 3-Methyladenine DNA glycosylase, DNA (5'-D(*AP*GP*CP*GP*TP*CP*CP*AP*(3DR)P*GP*TP*CP*TP*AP*CP*C)-3'), DNA (5'-D(*T*GP*GP*TP*AP*GP*AP*CP*TP*TP*GP*GP*AP*CP*GP*C)-3') | | Authors: | Jiang, T, Yu, H.J, Bi, L.J, Zhang, X.E, Yang, M.Z. | | Deposit date: | 2012-04-08 | | Release date: | 2013-03-20 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Crystal structures of MBOgg1 in complex with two abasic DNA ligands
J.Struct.Biol., 181, 2013
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1OL1
 | | Cyclin A binding groove inhibitor H-Cit-Cit-Leu-Ile-(p-F-Phe)-NH2 | | Descriptor: | CELL DIVISION PROTEIN KINASE 2, CIR-CIR-LEU-ILE-PFF-NH2, CYCLIN A2 | | Authors: | Kontopidis, G, Andrews, M, McInnes, C, Cowan, A, Powers, H, Innes, L, Plater, A, Griffiths, G, Paterson, D, Zheleva, D, Lane, D, Green, S, Walkinshaw, M, Fischer, P. | | Deposit date: | 2003-08-04 | | Release date: | 2003-12-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Insights Into Cyclin Groove Recognition. Complex Crystal Structures and Inhibitor Design Through Ligand Exchange
Structure, 11, 2003
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1WYX
 | | The Crystal Structure of the p130Cas SH3 Domain at 1.1 A Resolution | | Descriptor: | 1,2-ETHANEDIOL, CRK-associated substrate, MAGNESIUM ION | | Authors: | Wisniewska, M, Bossenmaier, B, Georges, G, Hesse, F, Dangl, M, Kuenkele, K.P, Ioannidis, I, Huber, R, Engh, R.A. | | Deposit date: | 2005-02-17 | | Release date: | 2005-04-26 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | The 1.1 A resolution crystal structure of the p130cas SH3 domain and ramifications for ligand selectivity
J.Mol.Biol., 347, 2005
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1WZ0
 | | Solution Structure of Human SUMO-2 (SMT3B), a Ubiquitin-like Protein | | Descriptor: | Ubiquitin-like protein SMT3B | | Authors: | Zhao, C, Saito, K, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2005-02-21 | | Release date: | 2005-08-21 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of Human SUMO-2 (SMT3B), a Ubiquitin-like Protein
To be Published
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1OL2
 | | Cyclin A binding groove inhibitor H-Arg-Arg-Leu-Asn-(p-F-Phe)-NH2 | | Descriptor: | ARG-ARG-LEU-ASN-PFF-NH2, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2 | | Authors: | Kontopidis, G, Andrews, M, McInnes, C, Cowan, A, Powers, H, Innes, L, Plater, A, Griffiths, G, Paterson, D, Zheleva, D, Lane, D, Green, S, Walkinshaw, M, Fischer, P. | | Deposit date: | 2003-08-05 | | Release date: | 2003-12-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Insights Into Cyclin Groove Recognition. Complex Crystal Structures and Inhibitor Design Through Ligand Exchange
Structure, 11, 2003
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1OKW
 | | Cyclin A binding groove inhibitor Ac-Arg-Arg-Leu-Asn-(m-Cl-Phe)-NH2 | | Descriptor: | ACE-ARG-ARG-LEU-ASN-FCL-NH2, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2 | | Authors: | Kontopidis, G, Andrews, M, McInnes, C, Cowan, A, Powers, H, Innes, L, Plater, A, Griffiths, G, Paterson, D, Zheleva, D, Lane, D, Green, S, Walkinshaw, M, Fischer, P. | | Deposit date: | 2003-07-31 | | Release date: | 2003-12-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Insights Into Cyclin Groove Recognition. Complex Crystal Structures and Inhibitor Design Through Ligand Exchange
Structure, 11, 2003
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4WPF
 | | Crystal structure of RORc in complex with a phenyl sulfonamide agonist | | Descriptor: | N-[4-(4-acetylpiperazin-1-yl)-2-fluorobenzyl]-N-cyclobutylbenzenesulfonamide, Nuclear receptor ROR-gamma, RHKILHRLLQEGSPS | | Authors: | Kiefer, J.R, Wallweber, H.A, de Leon Boenig, G, Hymowitz, S.G. | | Deposit date: | 2014-10-18 | | Release date: | 2015-01-14 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.202 Å) | | Cite: | Minor Structural Change to Tertiary Sulfonamide RORc Ligands Led to Opposite Mechanisms of Action.
Acs Med.Chem.Lett., 6, 2015
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5UG3
 | | NMR SOLUTION STRUCTURE OF ALPHA-CONOTOXIN GID MUTANT A10V | | Descriptor: | Alpha-conotoxin GID | | Authors: | Hussein, A.K, Leffler, A.E, Zebroski, H.A, Powell, S.R, Kuryatov, A, Filipenko, P, Gorson, J, Heizmann, A, Lyskov, S, Nicke, A, Lindstrom, J, Rudy, B, Bonneau, R, Holford, M, Poget, S.F. | | Deposit date: | 2017-01-06 | | Release date: | 2017-09-06 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Discovery of peptide ligands through docking and virtual screening at nicotinic acetylcholine receptor homology models.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5UG5
 | | NMR SOLUTION STRUCTURE OF THE ALPHA-CONOTOXIN GID MUTANT V13Y | | Descriptor: | Alpha-conotoxin GID | | Authors: | Hussein, A, Leffler, A.E, Kuryatov, A, Zebroski, H.A, Powell, S.R, Filipenko, P, Gorson, J, Heizmann, A, Lyskov, S, Nicke, A, Lindstrom, J, Rudy, B, Bonneau, R, Holford, M, Poget, S.F. | | Deposit date: | 2017-01-06 | | Release date: | 2017-09-06 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Discovery of peptide ligands through docking and virtual screening at nicotinic acetylcholine receptor homology models.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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8KEM
 | | PKS domains-fused AmpC EC2 | | Descriptor: | SDR family NAD(P)-dependent oxidoreductase,Beta-lactamase | | Authors: | Son, S.Y, Bae, D.W, Cha, S.S. | | Deposit date: | 2023-08-12 | | Release date: | 2024-06-05 | | Last modified: | 2024-09-18 | | Method: | X-RAY DIFFRACTION (2.76998281 Å) | | Cite: | Structural investigation of the docking domain assembly from trans-AT polyketide synthases.
Structure, 32, 2024
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4WSB
 | | Bat Influenza A polymerase with bound vRNA promoter | | Descriptor: | Influenza A polymerase vRNA promoter 3' end, Influenza A polymerase vRNA promoter 5' end, PHOSPHATE ION, ... | | Authors: | Cusack, S, Pflug, A, Guilligay, D, Reich, S. | | Deposit date: | 2014-10-26 | | Release date: | 2014-11-19 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structural insight into cap-snatching and RNA synthesis by influenza polymerase.
Nature, 516, 2014
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1K2F
 | | siah, Seven In Absentia Homolog | | Descriptor: | BETA-MERCAPTOETHANOL, ZINC ION, siah-1A protein | | Authors: | Polekhina, G, House, C.M, Traficante, N, Mackay, J.P, Relaix, F, Sassoon, D.A, Parker, M.W, Bowtell, D.D.L. | | Deposit date: | 2001-09-26 | | Release date: | 2001-12-28 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Siah ubiquitin ligase is structurally related to TRAF and modulates TNF-alpha signaling.
Nat.Struct.Biol., 9, 2002
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4MSL
 | | Crystal structure of the Vps10p domain of human sortilin/NTS3 in complex with AF40431 | | Descriptor: | N-[(7-hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methyl]-L-leucine, Sortilin, TETRAETHYLENE GLYCOL, ... | | Authors: | Andersen, J.L, Strandbygaard, D, Thirup, S. | | Deposit date: | 2013-09-18 | | Release date: | 2014-02-12 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Identification of the first small-molecule ligand of the neuronal receptor sortilin and structure determination of the receptor-ligand complex.
Acta Crystallogr.,Sect.D, 70, 2014
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4WX0
 | | UndA complexed with beta-hydroxydodecanoic acid | | Descriptor: | (3R)-3-HYDROXYDODECANOIC ACID, FE (III) ION, PEROXIDE ION, ... | | Authors: | Li, X, Cate, J.D.H. | | Deposit date: | 2014-11-13 | | Release date: | 2014-12-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Microbial biosynthesis of medium-chain 1-alkenes by a nonheme iron oxidase.
Proc.Natl.Acad.Sci.USA, 111, 2014
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3PGF
 | | Crystal structure of maltose bound MBP with a conformationally specific synthetic antigen binder (sAB) | | Descriptor: | GLYCEROL, IMIDAZOLE, Maltose-binding periplasmic protein, ... | | Authors: | Kossiakoff, A.A, Duguid, E.M, Sandstrom, A. | | Deposit date: | 2010-11-01 | | Release date: | 2011-03-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Allosteric control of ligand-binding affinity using engineered conformation-specific effector proteins.
Nat.Struct.Mol.Biol., 18, 2011
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1N7G
 | | Crystal Structure of the GDP-mannose 4,6-dehydratase ternary complex with NADPH and GDP-rhamnose. | | Descriptor: | GDP-D-mannose-4,6-dehydratase, GUANOSINE-5'-DIPHOSPHATE-RHAMNOSE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Mulichak, A.M, Bonin, C.P, Reiter, W.-D, Garavito, R.M. | | Deposit date: | 2002-11-14 | | Release date: | 2003-01-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The structure of the MUR1 GDP-mannose 4,6-dehydratase
from A. thaliana: Implications for ligand binding and
specificity.
Biochemistry, 41, 2002
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5T7K
 | | X-ray crystal structure of AA13 LPMO | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, AoAA13, ZINC ION | | Authors: | Frandsen, K.E.H, Poulsen, J.-C.N, Tovborg, M, Johansen, K.S, Lo Leggio, L. | | Deposit date: | 2016-09-05 | | Release date: | 2017-01-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Learning from oligosaccharide soaks of crystals of an AA13 lytic polysaccharide monooxygenase: crystal packing, ligand binding and active-site disorder.
Acta Crystallogr D Struct Biol, 73, 2017
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5IXK
 | | RORgamma in complex with inverse agonist BIO399. | | Descriptor: | N-(5-ethyl-3,3-dimethyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-8-yl)-3,4-dimethyl-N-(2,2,2-trifluoroethyl)benzene-1-sulfonamide, Nuclear receptor ROR-gamma | | Authors: | Marcotte, D.J. | | Deposit date: | 2016-03-23 | | Release date: | 2016-06-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural determinant for inducing RORgamma specific inverse agonism triggered by a synthetic benzoxazinone ligand.
Bmc Struct.Biol., 16, 2016
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5IZ0
 | | RORgamma in complex with agonist BIO592 and Coactivator EBI96 | | Descriptor: | CHLORIDE ION, GLU-PHE-PRO-TYR-LEU-LEU-SER-LEU-LEU-GLY-GLU-VAL-SER-PRO-GLN, N-(4-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-3,4-dimethyl-N-(2,2,2-trifluoroethyl)benzene-1-sulfonamide, ... | | Authors: | Marcotte, D.J. | | Deposit date: | 2016-03-24 | | Release date: | 2016-06-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.635 Å) | | Cite: | Structural determinant for inducing RORgamma specific inverse agonism triggered by a synthetic benzoxazinone ligand.
Bmc Struct.Biol., 16, 2016
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5T7N
 | | X-ray crystal structure of AA13 LPMO | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, AoAA13, ZINC ION, ... | | Authors: | Frandsen, K.E.H, Poulsen, J.-C.N, Tovborg, M, Johansen, K.S, Lo Leggio, L. | | Deposit date: | 2016-09-05 | | Release date: | 2017-01-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Learning from oligosaccharide soaks of crystals of an AA13 lytic polysaccharide monooxygenase: crystal packing, ligand binding and active-site disorder.
Acta Crystallogr D Struct Biol, 73, 2017
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