PDB: 31063 resultsInfo pagesStatus searchChemie searchBIRD

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8G8P	F420-2/GTP(GDP) complex of F420-gamma glutamyl ligase (CofE) from Archaeoglobus fulgidus Descriptor: COENZYME F420, Coenzyme F420:L-glutamate ligase, GUANOSINE-5'-DIPHOSPHATE, ... Authors: Bashiri, G, Squire, C.J. Deposit date: 2023-02-18 Release date: 2024-02-28 Method: X-RAY DIFFRACTION (1.83 Å) Cite: Poly-gamma-glutamylation of biomolecules. Nat Commun, 15, 2024
3DV1	Crystal structure of human beta-secretase in complex with NVP-ARV999 Descriptor: (2R,4S)-N-butyl-4-[(2S,5S,7R)-2,7-dimethyl-3,15-dioxo-1,4-diazacyclopentadecan-5-yl]-4-hydroxy-2-methylbutanamide, Beta-secretase 1 Authors: Rondeau, J.-M. Deposit date: 2008-07-18 Release date: 2009-02-24 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Macrocyclic peptidomimetic beta-secretase (BACE-1) inhibitors with activity in vivo. Bioorg.Med.Chem.Lett., 19, 2009
8C24	ParDE1 toxin-antitoxin complex from Mycobacterium tuberculosis (rv1960c-rv1959c) Descriptor: Antitoxin ParD1, Toxin ParE1 Authors: Beck, I.N, Blower, T.R. Deposit date: 2022-12-21 Release date: 2023-12-20 Last modified: 2024-03-27 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Toxin release by conditional remodelling of ParDE1 from Mycobacterium tuberculosis leads to gyrase inhibition. Nucleic Acids Res., 52, 2024
8C26	ParDE2 toxin-antitoxin complex from Mycobacterium tuberculosis (rv2142A-rv2142c) Descriptor: Antitoxin ParD2, CHLORIDE ION, Toxin ParE2 Authors: Beck, I.N, Blower, T.R. Deposit date: 2022-12-21 Release date: 2023-12-20 Last modified: 2024-03-27 Method: X-RAY DIFFRACTION (2.35 Å) Cite: Toxin release by conditional remodelling of ParDE1 from Mycobacterium tuberculosis leads to gyrase inhibition. Nucleic Acids Res., 52, 2024
3DBL	Structural Dissection of a Gating Mechanism Preventing Misactivation of Ubiquitin by NEDD8's E1 (APPBP1-UBA3Arg190wt-NEDD8Ala72Gln) Descriptor: NEDD8, NEDD8-activating enzyme E1 catalytic subunit, NEDD8-activating enzyme E1 regulatory subunit, ... Authors: Souphron, J, Schulman, B.A. Deposit date: 2008-06-01 Release date: 2008-08-12 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Structural dissection of a gating mechanism preventing misactivation of ubiquitin by NEDD8's E1. Biochemistry, 47, 2008
3DV5	Crystal structure of human beta-secretase in complex with NVP-BAV544 Descriptor: (3S,14R,16S)-16-[(1R)-1-hydroxy-2-{[3-(1-methylethyl)benzyl]amino}ethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5- dione, Beta-secretase 1 Authors: Rondeau, J.-M. Deposit date: 2008-07-18 Release date: 2009-02-24 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Macrocyclic peptidomimetic beta-secretase (BACE-1) inhibitors with activity in vivo. Bioorg.Med.Chem.Lett., 19, 2009
3DBR	Structural Dissection of a Gating Mechanism Preventing Misactivation of Ubiquitin by NEDD8's E1 (APPBP1-UBA3Arg190Gln-NEDD8Ala72Arg) Descriptor: NEDD8, NEDD8-activating enzyme E1 catalytic subunit, NEDD8-activating enzyme E1 regulatory subunit, ... Authors: Souphron, J, Schulman, B.A. Deposit date: 2008-06-02 Release date: 2008-08-12 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (3.05 Å) Cite: Structural dissection of a gating mechanism preventing misactivation of ubiquitin by NEDD8's E1. Biochemistry, 47, 2008
3DUY	Crystal structure of human beta-secretase in complex with NVP-AFJ144 Descriptor: (2R,4S,5S)-N-butyl-4-hydroxy-2,7-dimethyl-5-{[N-(4-methylpentanoyl)-L-methionyl]amino}octanamide, Beta-secretase 1 Authors: Rondeau, J.-M. Deposit date: 2008-07-18 Release date: 2009-02-24 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.97 Å) Cite: Structure-based design and synthesis of macrocyclic peptidomimetic beta-secretase (BACE-1) inhibitors. Bioorg.Med.Chem.Lett., 19, 2009
3DBH	Structural Dissection of a Gating Mechanism Preventing Misactivation of Ubiquitin by NEDD8's E1 (APPBP1-UBA3Arg190Ala-NEDD8Ala72Arg) Descriptor: NEDD8, NEDD8-activating enzyme E1 catalytic subunit, NEDD8-activating enzyme E1 regulatory subunit, ... Authors: Souphron, J, Schulman, B.A. Deposit date: 2008-05-31 Release date: 2008-08-12 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.85 Å) Cite: Structural dissection of a gating mechanism preventing misactivation of ubiquitin by NEDD8's E1. Biochemistry, 47, 2008
2XTJ	The crystal structure of PCSK9 in complex with 1D05 Fab Descriptor: CALCIUM ION, FAB FROM A HUMAN MONOCLONAL ANTIBODY, 1D05, ... Authors: Di Marco, S, Volpari, C, Carfi, A. Deposit date: 2010-10-10 Release date: 2010-11-03 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.7 Å) Cite: A Pcsk9-Binding Antibody that Structurally Mimics the Egf(A) Domain of Ldl-Receptor Reduces Ldl Cholesterol in Vivo. J.Lipid Res., 52, 2011
2YEL	Crystal Structure of the First Bromodomain of Human Brd4 with the inhibitor GW841819X Descriptor: 1,2-ETHANEDIOL, BENZYL [(4R)-1-METHYL-6-PHENYL-4H-[1,2,4]TRIAZOLO[4,3-A][1,4]BENZODIAZEPIN-4-YL]CARBAMATE, HUMAN BRD4 Authors: Chung, C.W. Deposit date: 2011-03-25 Release date: 2011-06-15 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Discovery and Characterization of Small Molecule Inhibitors of the Bet Family Bromodomains. J.Med.Chem., 54, 2011
2YEM	Crystal Structure of the Second Bromodomain of Human Brd4 with the inhibitor GW841819X Descriptor: BENZYL [(4R)-1-METHYL-6-PHENYL-4H-[1,2,4]TRIAZOLO[4,3-A][1,4]BENZODIAZEPIN-4-YL]CARBAMATE, BROMODOMAIN-CONTAINING PROTEIN 4 Authors: Chung, C.W. Deposit date: 2011-03-25 Release date: 2011-06-15 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Discovery and Characterization of Small Molecule Inhibitors of the Bet Family Bromodomains. J.Med.Chem., 54, 2011
2YDW	Crystal Structure of the First Bromodomain of Human Brd2 with the inhibitor GW841819X Descriptor: BENZYL [(4R)-1-METHYL-6-PHENYL-4H-[1,2,4]TRIAZOLO[4,3-A][1,4]BENZODIAZEPIN-4-YL]CARBAMATE, BROMODOMAIN-CONTAINING PROTEIN 2, SULFATE ION Authors: Chung, C, Delves, C, Woodward, R, Mirguet, O, Nicodeme, E. Deposit date: 2011-03-24 Release date: 2011-06-15 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Discovery and Characterization of Small Molecule Inhibitors of the Bet Family Bromodomains. J.Med.Chem., 54, 2011
2YEK	Crystal Structure of the First Bromodomain of Human Brd2 with the inhibitor GSK525762 (IBET) Descriptor: 2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide, BROMODOMAIN-CONTAINING PROTEIN 2, SULFATE ION Authors: Chung, C.W. Deposit date: 2011-03-25 Release date: 2011-06-15 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.98 Å) Cite: Discovery and Characterization of Small Molecule Inhibitors of the Bet Family Bromodomains. J.Med.Chem., 54, 2011
6YN9	MALT1(329-728) in complex with a sulfonamide containing compound Descriptor: 5-[4-[(2,6-diethylphenyl)sulfamoyl]-3-methyl-phenyl]furan-3-carboxylic acid, Mucosa-associated lymphoid tissue lymphoma translocation protein 1 Authors: Renatus, M. Deposit date: 2020-04-11 Release date: 2020-06-24 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.558 Å) Cite: Stabilizing Inactive Conformations of MALT1 as an Effective Approach to Inhibit Its Protease Activity Advanced Therapeutics, 3, 2020
6YN8	Human MALT1(334-719) in complex with a tetrazole containing compound Descriptor: 3-azanyl-3-methyl-~{N}-[(3~{R})-4-oxidanylidene-5-[[4-[2-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydro-1,5-benzoxazepin-3-yl]butanamide, Mucosa-associated lymphoid tissue lymphoma translocation protein 1 Authors: Renatus, M. Deposit date: 2020-04-11 Release date: 2020-06-24 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (3.052 Å) Cite: Stabilizing Inactive Conformations of MALT1 as an Effective Approach to Inhibit Its Protease Activity Advanced Therapeutics, 3, 2020
2DUT	Crystal structure of a M-loop deletion variant of MENT in the native conformation Descriptor: Heterochromatin-associated protein MENT Authors: Whisstock, J.C, Buckle, A.M, McGowan, S, Irving, J.A. Deposit date: 2006-07-26 Release date: 2006-08-08 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (3 Å) Cite: X-ray crystal structure of MENT: evidence for functional loop-sheet polymers in chromatin condensation Embo J., 25, 2006
2AP5	Solution Structure of the C27A ScYLV P1-P2 Frameshifting Pseudoknot, Average Structure Descriptor: C27A Sugarcane Yellow Leaf Virus RNA pseudoknot Authors: Cornish, P.V, Giedroc, D.P. Deposit date: 2005-08-15 Release date: 2006-09-05 Last modified: 2024-05-22 Method: SOLUTION NMR Cite: The global structures of a wild-type and poorly functional plant luteoviral mRNA pseudoknot are essentially identical Rna, 12, 2006
9FB2	Gcase in complex with small molecule inhibitor 1 Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: Tisi, D, Cleasby, A. Deposit date: 2024-05-11 Release date: 2024-07-03 Last modified: 2024-07-24 Method: X-RAY DIFFRACTION (1.14 Å) Cite: Fragment-Based Discovery of a Series of Allosteric-Binding Site Modulators of beta-Glucocerebrosidase. J.Med.Chem., 67, 2024
2AP0	Solution Structure of the C27A ScYLV P1-P2 Frameshifting Pseudoknot, 20 Lowest Energy Structures Descriptor: C27A Sugarcane Yellow Leaf Virus RNA pseudoknot Authors: Cornish, P.V, Giedroc, D.P. Deposit date: 2005-08-15 Release date: 2006-09-05 Last modified: 2024-05-22 Method: SOLUTION NMR Cite: The global structures of a wild-type and poorly functional plant luteoviral mRNA pseudoknot are essentially identical Rna, 12, 2006
9F9Z	Gcase in complex with small molecule inhibitor 1 Descriptor: (2~{S})-1-(2,6-dimethylphenoxy)propan-2-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lysosomal acid glucosylceramidase, ... Authors: Tisi, D, Cleasby, A. Deposit date: 2024-05-09 Release date: 2024-07-03 Last modified: 2024-07-24 Method: X-RAY DIFFRACTION (2.279 Å) Cite: Fragment-Based Discovery of a Series of Allosteric-Binding Site Modulators of beta-Glucocerebrosidase. J.Med.Chem., 67, 2024
9FDI	Gcase in complex with small molecule inhibitor 1 Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(phenylmethyl)piperidine, ... Authors: Tisi, D, Cleasby, A. Deposit date: 2024-05-17 Release date: 2024-07-03 Last modified: 2024-07-24 Method: X-RAY DIFFRACTION (1.41 Å) Cite: Fragment-Based Discovery of a Series of Allosteric-Binding Site Modulators of beta-Glucocerebrosidase. J.Med.Chem., 67, 2024
9FA3	Gcase in complex with small molecule inhibitor 1 Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lysosomal acid glucosylceramidase, ... Authors: Tisi, D, Cleasby, A. Deposit date: 2024-05-10 Release date: 2024-07-03 Last modified: 2024-07-24 Method: X-RAY DIFFRACTION (1.36 Å) Cite: Fragment-Based Discovery of a Series of Allosteric-Binding Site Modulators of beta-Glucocerebrosidase. J.Med.Chem., 67, 2024
9FAL	Gcase in complex with small molecule inhibitor 1 Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: Tisi, D, Cleasby, A. Deposit date: 2024-05-10 Release date: 2024-07-03 Last modified: 2024-07-24 Method: X-RAY DIFFRACTION (1.39 Å) Cite: Fragment-Based Discovery of a Series of Allosteric-Binding Site Modulators of beta-Glucocerebrosidase. J.Med.Chem., 67, 2024
9FAY	Gcase in complex with small molecule inhibitor 1 Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: Tisi, D, Cleasby, A. Deposit date: 2024-05-10 Release date: 2024-07-03 Last modified: 2024-07-24 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Fragment-Based Discovery of a Series of Allosteric-Binding Site Modulators of beta-Glucocerebrosidase. J.Med.Chem., 67, 2024

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