PDB: 224004 resultsInfo pagesStatus searchChemie searchBIRD

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7QVK	NM-02 in complex with HER2-ECD Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, NM-02, Receptor tyrosine-protein kinase erbB-2, ... Authors: Cowan, R, Hall, G, Carr, M. Deposit date: 2022-01-21 Release date: 2023-02-01 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (3.1 Å) Cite: Co-crystallisation and humanisation of an anti-HER2 single-domain antibody as a theranostic tool. Plos One, 18, 2023
6N4Y	Metabotropic Glutamate Receptor 5 Extracellular Domain with Nb43 Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 5, ... Authors: Koehl, A, Hu, H, Feng, D, Sun, B, Chu, M, Weis, W.I, Mathiesen, J.M, Skiniotis, G, Kobilka, B.K. Deposit date: 2018-11-20 Release date: 2019-01-23 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (3.262 Å) Cite: Structural insights into the activation of metabotropic glutamate receptors. Nature, 566, 2019
4H45	Product Complexes of Porcine Liver Fructose-1,6-bisphosphatase with Mutation E192Q Descriptor: 6-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase 1, PHOSPHATE ION, ... Authors: Gao, Y, Honzatko, R.B. Deposit date: 2012-09-16 Release date: 2013-09-18 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (3.1 Å) Cite: Dimer-dimer Interface in Porcine Liver Fructose-1,6-bisphosphatase is Essential in Cooperative Binding of AMP To be Published
3JPW	Crystal structure of amino terminal domain of the NMDA receptor subunit NR2B Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Glutamate [NMDA] receptor subunit epsilon-2, ... Authors: Karakas, E, Simorowski, N, Furukawa, H. Deposit date: 2009-09-04 Release date: 2009-12-08 Last modified: 2021-10-13 Method: X-RAY DIFFRACTION (2.803 Å) Cite: Structure of the zinc-bound amino-terminal domain of the NMDA receptor NR2B subunit. Embo J., 28, 2009
7TPD	Integrin alaphIIBbeta3 complex with EF5154 Descriptor: (4-{[2-oxo-4-(piperidin-4-yl)piperazin-1-yl]acetyl}phenoxy)acetic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A. Deposit date: 2022-01-25 Release date: 2022-08-17 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2.6 Å) Cite: A general chemical principle for creating closure-stabilizing integrin inhibitors. Cell, 185, 2022
7THO	Integrin alaphIIBbeta3 complex with Eptifibatide Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... Authors: Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A. Deposit date: 2022-01-11 Release date: 2022-08-17 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.75 Å) Cite: A general chemical principle for creating closure-stabilizing integrin inhibitors. Cell, 185, 2022
7TMZ	Integrin alaphIIBbeta3 complex with BMS compound 4 Descriptor: (4-{[(5S)-3-{4-[(E)-imino(4-methylpiperazin-1-yl)methyl]phenyl}-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A. Deposit date: 2022-01-20 Release date: 2022-08-17 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2.20002 Å) Cite: A general chemical principle for creating closure-stabilizing integrin inhibitors. Cell, 185, 2022
7U9F	Integrin alaphIIBbeta3 complex with BMS compound 4 in Mn2+ Descriptor: (4-{[(5S)-3-{4-[(E)-imino(4-methylpiperazin-1-yl)methyl]phenyl}-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A. Deposit date: 2022-03-10 Release date: 2022-08-17 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2.70000529 Å) Cite: A general chemical principle for creating closure-stabilizing integrin inhibitors. Cell, 185, 2022
8AKF	Human Sirt6 in complex with ADP-ribose and fragment 3-aminobenzamide Descriptor: 1,2-ETHANEDIOL, 3-aminobenzamide, CHLORIDE ION, ... Authors: You, W, Steegborn, C. Deposit date: 2022-07-29 Release date: 2023-08-16 Method: X-RAY DIFFRACTION (1.97 Å) Cite: Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen To Be Published
7U60	Integrin alaphIIBbeta3 complex with cRGDfV Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ARG-GLY-ASP-DPN-VAL, ... Authors: Zhu, J, Lin, F.Y, Zhu, J, Springer, T.A. Deposit date: 2022-03-03 Release date: 2022-08-17 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2.55 Å) Cite: A general chemical principle for creating closure-stabilizing integrin inhibitors. Cell, 185, 2022
6STX	Copper oxidase from Colletotrichum graminicola Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Kelch domain-containing protein, ... Authors: Offen, W.A, Henrissat, B, Davies, G.J. Deposit date: 2019-09-12 Release date: 2019-11-13 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Discovery of a Fungal Copper Radical Oxidase with High Catalytic Efficiency toward 5-Hydroxymethylfurfural and Benzyl Alcohols for Bioprocessing Acs Catalysis, 2020
7O1P	[FeFe]-hydrogenase maturase HydE from T. Maritima (C-ter stretch absent) Descriptor: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CARBONATE ION, CHLORIDE ION, ... Authors: Rohac, R, Martin, L, Liu, L, Basu, D, Tao, L, Britt, R.D, Rauchfuss, T, Nicolet, Y. Deposit date: 2021-03-30 Release date: 2021-05-26 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.58 Å) Cite: Crystal Structure of the [FeFe]-Hydrogenase Maturase HydE Bound to Complex-B. J.Am.Chem.Soc., 143, 2021
6T16	ASR Alternansucrase in complex with panose Descriptor: Alternansucrase, CALCIUM ION, alpha-D-glucopyranose, ... Authors: Cioci, G, Molina, M, Moulis, C, Remaud-Simeon, M. Deposit date: 2019-10-03 Release date: 2020-06-17 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (3.1 Å) Cite: A specific oligosaccharide-binding site in the alternansucrase catalytic domain mediates alternan elongation. J.Biol.Chem., 295, 2020
8AK6	Human Sirt6 in complex with ADP-ribose and fragment sulfamethoxazole Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-6, ... Authors: You, W, Steegborn, C. Deposit date: 2022-07-29 Release date: 2023-08-16 Method: X-RAY DIFFRACTION (1.98 Å) Cite: Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen To Be Published
8AK9	Human Sirt6 in complex with ADP-ribose and fragment Isatin Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... Authors: You, W, Steegborn, C. Deposit date: 2022-07-29 Release date: 2023-08-16 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen To Be Published
6SZI	ASR Alternansucrase in complex with isomaltose Descriptor: Alternansucrase, CALCIUM ION, alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose Authors: Cioci, G, Molina, M, Moulis, C, Remaud-Simeon, M. Deposit date: 2019-10-02 Release date: 2020-06-17 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (3 Å) Cite: A specific oligosaccharide-binding site in the alternansucrase catalytic domain mediates alternan elongation. J.Biol.Chem., 295, 2020
8AK7	Human Sirt6 in complex with ADP-ribose and fragment 6-O-methylguanine Descriptor: 1,2-ETHANEDIOL, 6-O-methylguanine, CHLORIDE ION, ... Authors: You, W, Steegborn, C. Deposit date: 2022-07-29 Release date: 2023-08-16 Method: X-RAY DIFFRACTION (1.81 Å) Cite: Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen To Be Published
8AKA	Human Sirt6 in complex with ADP-ribose and fragment cis-resveratrol Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... Authors: You, W, Steegborn, C. Deposit date: 2022-07-29 Release date: 2023-08-16 Method: X-RAY DIFFRACTION (1.77 Å) Cite: Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen To Be Published
8AKE	Human Sirt6 in complex with ADP-ribose and fragment nicotinamide Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-6, ... Authors: You, W, Steegborn, C. Deposit date: 2022-07-29 Release date: 2023-08-16 Method: X-RAY DIFFRACTION (1.82 Å) Cite: Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen To Be Published
6VPJ	TPX2 residues 7-20 fused to Aurora A residues 116-389 C247V + C319V double mutant dephosphorylated, and in complex with AMP-PNP Descriptor: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, TPX2 fragment - Aurora A kinase domain fusion, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose Authors: Lim, D.C, Yaffe, M.B. Deposit date: 2020-02-03 Release date: 2020-08-05 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Redox priming promotes Aurora A activation during mitosis. Sci.Signal., 13, 2020
8AK8	Human Sirt6 in complex with ADP-ribose and fragment 4-hydroxybenzamide Descriptor: 4-HYDROXYBENZAMIDE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... Authors: You, W, Steegborn, C. Deposit date: 2022-07-29 Release date: 2023-08-16 Method: X-RAY DIFFRACTION (1.73 Å) Cite: Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen To Be Published
8AKG	Human Sirt6 in complex with ADP-ribose and fragment 4-amino-6-chlorobenzene-1,3-disulfonamide Descriptor: 1,2-ETHANEDIOL, 4-AMINO-6-CHLOROBENZENE-1,3-DISULFONAMIDE, CHLORIDE ION, ... Authors: You, W, Steegborn, C. Deposit date: 2022-07-29 Release date: 2023-08-16 Method: X-RAY DIFFRACTION (1.82 Å) Cite: Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen To Be Published
6T1P	ASR Alternansucrase in complex with isomaltononaose Descriptor: Alternansucrase, CALCIUM ION, alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose, ... Authors: Cioci, G, Molina, M, Moulis, C, Remaud-Simeon, M. Deposit date: 2019-10-04 Release date: 2020-06-17 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (3.5 Å) Cite: A specific oligosaccharide-binding site in the alternansucrase catalytic domain mediates alternan elongation. J.Biol.Chem., 295, 2020
4EY6	Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with (-)-galantamine Descriptor: (-)-GALANTHAMINE, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: Cheung, J, Rudolph, M, Burshteyn, F, Cassidy, M, Gary, E, Love, J, Height, J, Franklin, M. Deposit date: 2012-05-01 Release date: 2012-10-17 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.3983 Å) Cite: Structures of human acetylcholinesterase in complex with pharmacologically important ligands. J.Med.Chem., 55, 2012
6W03	Crystal Structure of HIV-1 BG505 DS-SOSIP.3mut Prefusion Env Trimer in Complex with Human Antibodies 3H109L and 35O22 at 3.3 Angstrom Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 35O22 scFv heavy chain, ... Authors: Lai, Y.-T, Kwong, P.D. Deposit date: 2020-02-28 Release date: 2020-04-15 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Development of a 3Mut-Apex-Stabilized Envelope Trimer That Expands HIV-1 Neutralization Breadth When Used To Boost Fusion Peptide-Directed Vaccine-Elicited Responses. J.Virol., 94, 2020

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