5QQO
 
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(5E,8S)-8-[(6R)-6-(3-chlorophenyl)-2-oxo-1,3-oxazinan-3-yl]-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate | | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, MET-ASP-ASP-ASP-ASP-LYS-MET-ASP-ASN-GLU-CYS-THR-THR-LYS-ILE-LYS-PRO-ARG, ... | | Authors: | Sheriff, S. | | Deposit date: | 2019-05-20 | | Release date: | 2019-09-18 | | Last modified: | 2021-05-12 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure based design of macrocyclic factor XIa inhibitors: Discovery of cyclic P1 linker moieties with improved oral bioavailability.
Bioorg.Med.Chem.Lett., 29, 2019
|
|
7Y44
 | | Re-refinement of damage free X-ray structure of bovine cytochrome c oxidase at 1.9 angstrom resolution | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | | Authors: | Tsukihara, T, Hirata, K, Ago, H. | | Deposit date: | 2022-06-14 | | Release date: | 2022-07-20 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Determination of damage-free crystal structure of an X-ray-sensitive protein using an XFEL.
Nat.Methods, 11, 2014
|
|
7YC5
 | | Cryo-EM structure of SARS-CoV-2 spike in complex with K202.B bispecific antibody | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain from K202.B, bispecific antibody, ... | | Authors: | Yoo, Y, Cho, H.S. | | Deposit date: | 2022-06-30 | | Release date: | 2023-07-05 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Novel bispecific human antibody platform specifically targeting a fully open spike conformation potently neutralizes multiple SARS-CoV-2 variants.
Antiviral Res., 212, 2023
|
|
7YCK
 | | Crystal structure of SARS-CoV-2 Spike RBD in complex with FP-12A Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, FP-12A Fab heavy chain, FP-12A Fab light chain, ... | | Authors: | Nguyen, V.H.T, Chen, X. | | Deposit date: | 2022-07-01 | | Release date: | 2023-02-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural basis for a conserved neutralization epitope on the receptor-binding domain of SARS-CoV-2.
Nat Commun, 14, 2023
|
|
7YCL
 | | Crystal structure of SARS-CoV-2 Spike RBD in complex with IS-9A Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, IS-9A Fab heavy chain, IS-9A Fab light chain, ... | | Authors: | Mohapatra, A, Chen, X. | | Deposit date: | 2022-07-01 | | Release date: | 2023-02-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Structural basis for a conserved neutralization epitope on the receptor-binding domain of SARS-CoV-2.
Nat Commun, 14, 2023
|
|
7YCN
 | |
7YVZ
 | | Structure of Caenorhabditis elegans CISD-1/mitoNEET | | Descriptor: | CDGSH iron-sulfur domain-containing protein 1 (CISD-1/mitoNEET), FE2/S2 (INORGANIC) CLUSTER | | Authors: | Hasegawa, K, Hagiuda, E, Taguchi, A.T, Geldenhuys, W, Iwasaki, T, Kumasaka, T. | | Deposit date: | 2022-08-20 | | Release date: | 2022-10-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure and biological evaluation of Caenorhabditis elegans CISD-1/mitoNEET, a KLP-17 tail domain homologue, supports attenuation of paraquat-induced oxidative stress through a p38 MAPK-mediated antioxidant defense response.
Adv Redox Res, 6, 2022
|
|
7YZA
 | | Crystal structure of the zebrafish FoxH1 bound to the TGTGTATT site | | Descriptor: | DNA (5'-D(*AP*GP*AP*TP*TP*GP*TP*GP*TP*AP*TP*TP*GP*AP*GP*A)-3'), DNA (5'-D(*TP*CP*TP*CP*AP*AP*TP*AP*CP*AP*CP*AP*AP*TP*CP*T)-3'), Forkhead box protein H1, ... | | Authors: | Pluta, R, Macias, M.J. | | Deposit date: | 2022-02-19 | | Release date: | 2022-11-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | Molecular basis for DNA recognition by the maternal pioneer transcription factor FoxH1.
Nat Commun, 13, 2022
|
|
6X9V
 | | HIV-1 Envelope Glycoprotein BG505 SOSIP.664, expressed in HEK293S cells and deglycosylated by endoglycosidase H, in complex with RM20A3 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 Envelope Glycoprotein BG505 SOSIP.664 gp120, ... | | Authors: | Berndsen, Z.T, Ward, A.B. | | Deposit date: | 2020-06-03 | | Release date: | 2020-11-04 | | Last modified: | 2020-11-25 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Visualization of the HIV-1 Env glycan shield across scales.
Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
6XIE
 | | PCSK9(deltaCRD) in complex with cyclic peptide 77 | | Descriptor: | GLYCEROL, Peptide 77, Proprotein convertase subtilisin/kexin type 9 | | Authors: | Orth, P. | | Deposit date: | 2020-06-19 | | Release date: | 2020-11-18 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Series of Novel and Highly Potent Cyclic Peptide PCSK9 Inhibitors Derived from an mRNA Display Screen and Optimized via Structure-Based Design.
J.Med.Chem., 63, 2020
|
|
6X9T
 | |
6XIB
 | | PCSK9(deltaCRD) in complex with cyclic peptide 30 | | Descriptor: | GLYCEROL, Peptide 30, Proprotein convertase subtilisin/kexin type 9 | | Authors: | Orth, P. | | Deposit date: | 2020-06-19 | | Release date: | 2020-11-18 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.546 Å) | | Cite: | Series of Novel and Highly Potent Cyclic Peptide PCSK9 Inhibitors Derived from an mRNA Display Screen and Optimized via Structure-Based Design.
J.Med.Chem., 63, 2020
|
|
6XIC
 | | PCSK9(deltaCRD) in complex with cyclic peptide 40 | | Descriptor: | GLYCEROL, Peptide 40, Proprotein convertase subtilisin/kexin type 9 | | Authors: | Orth, P. | | Deposit date: | 2020-06-19 | | Release date: | 2020-11-18 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.377 Å) | | Cite: | Series of Novel and Highly Potent Cyclic Peptide PCSK9 Inhibitors Derived from an mRNA Display Screen and Optimized via Structure-Based Design.
J.Med.Chem., 63, 2020
|
|
6XNN
 | | Crystal Structure of Mouse STING CTD complex with SR-717. | | Descriptor: | 4,5-difluoro-2-{[6-(1H-imidazol-1-yl)pyridazine-3-carbonyl]amino}benzoic acid, Stimulator of interferon genes protein | | Authors: | Chin, E.N, Yu, C, Wolan, D.W, Petrassi, H.M, Lairson, L.L. | | Deposit date: | 2020-07-03 | | Release date: | 2020-08-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Antitumor activity of a systemic STING-activating non-nucleotide cGAMP mimetic.
Science, 369, 2020
|
|
6X5Z
 | | Bovine Cardiac Myosin in Complex with Chicken Skeletal Actin and Human Cardiac Tropomyosin in the Rigor State | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | | Authors: | Doran, M.H, Lehman, W, Rynkiewicz, M.J, Bullitt, E. | | Deposit date: | 2020-05-27 | | Release date: | 2020-07-22 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (4.24 Å) | | Cite: | Cryo-EM and Molecular Docking Shows Myosin Loop 4 Contacts Actin and Tropomyosin on Thin Filaments.
Biophys.J., 119, 2020
|
|
6XRT
 | |
6XYD
 | | Crystal structure of Q4D6Q6, a conserved kinetoplastid-specific protein from Trypanosoma cruzi | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, SODIUM ION, ... | | Authors: | Roske, Y, Heinemann, U, Andrea, E.D. | | Deposit date: | 2020-01-30 | | Release date: | 2020-06-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Crystal structure of Q4D6Q6, a conserved kinetoplastid-specific protein from Trypanosoma cruzi.
J.Struct.Biol., 211, 2020
|
|
6XID
 | | PCSK9(deltaCRD) in complex with cyclic peptide 51 | | Descriptor: | GLYCEROL, Peptide 51, Proprotein convertase subtilisin/kexin type 9 | | Authors: | Orth, P. | | Deposit date: | 2020-06-19 | | Release date: | 2020-11-18 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.482 Å) | | Cite: | Series of Novel and Highly Potent Cyclic Peptide PCSK9 Inhibitors Derived from an mRNA Display Screen and Optimized via Structure-Based Design.
J.Med.Chem., 63, 2020
|
|
5Q0D
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-oxo-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecin-14-yl]carbamate | | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | | Authors: | Sheriff, S. | | Deposit date: | 2017-05-01 | | Release date: | 2017-07-12 | | Last modified: | 2018-02-21 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency.
Bioorg. Med. Chem. Lett., 27, 2017
|
|
5Q0F
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(4R,5E,8S)-8-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-4-methyl-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate | | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, MET-ASP-ASP-ASP-ASP-LYS-MET-ASP-ASN-GLU-CYS-THR-THR-LYS-ILE-LYS-PRO-ARG, ... | | Authors: | Sheriff, S. | | Deposit date: | 2017-05-01 | | Release date: | 2017-07-12 | | Last modified: | 2018-02-21 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency.
Bioorg. Med. Chem. Lett., 27, 2017
|
|
5Q0H
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(4R,5E,8S)-11-chloro-8-[(2,6-difluoro-4-methylbenzene-1-carbonyl)amino]-4-methyl-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate | | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | | Authors: | Sheriff, S. | | Deposit date: | 2017-05-01 | | Release date: | 2017-07-12 | | Last modified: | 2018-02-21 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency.
Bioorg. Med. Chem. Lett., 27, 2017
|
|
5Q0E
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(4S,8S)-8-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-4-methyl-2-oxo-1,3,4,5,6,7,8,10-octahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate | | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | | Authors: | Sheriff, S. | | Deposit date: | 2017-05-01 | | Release date: | 2017-07-12 | | Last modified: | 2018-02-21 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency.
Bioorg. Med. Chem. Lett., 27, 2017
|
|
5Q0G
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(3R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-3-ethyl-2-oxo-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecin-14-yl]carbamate | | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | | Authors: | Sheriff, S. | | Deposit date: | 2017-05-01 | | Release date: | 2017-07-12 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency.
Bioorg. Med. Chem. Lett., 27, 2017
|
|
8FFU
 | | Structure of GntC, a PLP-dependent enzyme catalyzing L-enduracididine biosynthesis from (S)-4-hydroxy-L-arginine, with the substrate bound | | Descriptor: | (2S,4S)-5-carbamimidamido-4-hydroxy-2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]pentanoic acid (non-preferred name), Aminotransferase class I/II-fold pyridoxal phosphate-dependent enzyme, MAGNESIUM ION | | Authors: | Chen, P.Y.-T, Moore, B.S. | | Deposit date: | 2022-12-10 | | Release date: | 2023-04-12 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Mechanistic and Structural Insights into a Divergent PLP-Dependent l-Enduracididine Cyclase from a Toxic Cyanobacterium.
Acs Catalysis, 13, 2023
|
|
1MDI
 | |
