4YA9
 
 | |
7WSV
 | | Cryo-EM structure of the N-terminal deletion mutant of human pannexin-1 in a nanodisc | | Descriptor: | Pannexin-1 | | Authors: | Kuzuya, M, Hirano, H, Hayashida, K, Watanabe, M, Kobayashi, K, Tani, K, Fujiyoshi, Y, Oshima, A. | | Deposit date: | 2022-02-01 | | Release date: | 2022-02-16 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Structures of human pannexin-1 in nanodiscs reveal gating mediated by dynamic movement of the N terminus and phospholipids.
Sci.Signal., 15, 2022
|
|
6DW1
 | | Cryo-EM structure of the benzodiazepine-sensitive alpha1beta1gamma2S tri-heteromeric GABAA receptor in complex with GABA (ECD map) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GAMMA-AMINO-BUTANOIC ACID, Gamma-aminobutyric acid receptor subunit alpha-1,Gamma-aminobutyric acid receptor subunit alpha-1, ... | | Authors: | Phulera, S, Zhu, H, Yu, J, Yoshioka, C, Gouaux, E. | | Deposit date: | 2018-06-26 | | Release date: | 2018-08-08 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Cryo-EM structure of the benzodiazepine-sensitive alpha 1 beta 1 gamma 2S tri-heteromeric GABAAreceptor in complex with GABA.
Elife, 7, 2018
|
|
9LB7
 | |
9D5M
 | | Apo ACE full dimer 1 prepared by chameleon | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ... | | Authors: | Mancl, J.M, Tang, W.J. | | Deposit date: | 2024-08-13 | | Release date: | 2025-06-18 | | Last modified: | 2025-10-08 | | Method: | ELECTRON MICROSCOPY (3.05 Å) | | Cite: | Dimerization and dynamics of human angiotensin-I converting enzyme revealed by cryo-EM and MD simulations.
Elife, 14, 2025
|
|
8HWS
 | | The complex structure of Omicron BA.4 RBD with BD604, S309, and S304 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BD-604 Fab Heavy chain, BD-604 Fab Light chain, ... | | Authors: | He, Q.W, Xu, Z.P, Xie, Y.F. | | Deposit date: | 2023-01-02 | | Release date: | 2023-12-06 | | Last modified: | 2025-07-16 | | Method: | ELECTRON MICROSCOPY (2.36 Å) | | Cite: | An updated atlas of antibody evasion by SARS-CoV-2 Omicron sub-variants including BQ.1.1 and XBB.
Cell Rep Med, 4, 2023
|
|
4Y7Y
 | | Yeast 20S proteasome in complex with Ac-LAA-ep | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Ac-LAA-ep, CHLORIDE ION, ... | | Authors: | Huber, E.M, Groll, M. | | Deposit date: | 2015-02-16 | | Release date: | 2015-06-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Systematic Analyses of Substrate Preferences of 20S Proteasomes Using Peptidic Epoxyketone Inhibitors.
J.Am.Chem.Soc., 137, 2015
|
|
4Y8L
 | | Yeast 20S proteasome in complex with Ac-APLL-ep | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Ac-APLL-ep, CHLORIDE ION, ... | | Authors: | Huber, E.M, Groll, M. | | Deposit date: | 2015-02-16 | | Release date: | 2015-06-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Systematic Analyses of Substrate Preferences of 20S Proteasomes Using Peptidic Epoxyketone Inhibitors.
J.Am.Chem.Soc., 137, 2015
|
|
9L4O
 | |
4Y84
 | | Yeast 20S proteasome in complex with N3-A(4,4-F2P)nLL-ep | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Huber, E.M, Groll, M. | | Deposit date: | 2015-02-16 | | Release date: | 2015-06-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Systematic Analyses of Substrate Preferences of 20S Proteasomes Using Peptidic Epoxyketone Inhibitors.
J.Am.Chem.Soc., 137, 2015
|
|
4EYB
 | | Crystal structure of NDM-1 bound to hydrolyzed oxacillin | | Descriptor: | (2R,4S)-2-[(R)-carboxy{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carbo xylic acid, Beta-lactamase NDM-1, ZINC ION | | Authors: | Strynadka, N.C.J, King, D.T. | | Deposit date: | 2012-05-01 | | Release date: | 2012-08-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | New Delhi Metallo-Beta-Lactamase: Structural Insights into Beta-Lactam Recognition and Inhibition
J.Am.Chem.Soc., 134, 2012
|
|
6NTG
 | | Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by A-234 in Complex with Reactivator, HI-6 | | 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, 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM, ... | | Authors: | Bester, S.M, Guelta, M.A, Height, J.J, Pegan, S.D. | | Deposit date: | 2019-01-29 | | Release date: | 2020-07-01 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.652 Å) | | Cite: | Insights into inhibition of human acetylcholinesterase by Novichok, A-series Nerve Agents
To Be Published
|
|
4EIY
 | | Crystal structure of the chimeric protein of A2aAR-BRIL in complex with ZM241385 at 1.8A resolution | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ... | | Authors: | Liu, W, Chun, E, Thompson, A.A, Chubukov, P, Xu, F, Katritch, V, Han, G.W, Heitman, L.H, Ijzerman, A.P, Cherezov, V, Stevens, R.C, GPCR Network (GPCR) | | Deposit date: | 2012-04-06 | | Release date: | 2012-07-25 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis for allosteric regulation of GPCRs by sodium ions.
Science, 337, 2012
|
|
2NPH
 | | Crystal structure of HIV1 protease in situ product complex | | Descriptor: | PROTEASE RETROPEPSIN, pentapeptide fragment, tetrapeptide fragment | | Authors: | Hosur, M.V, Das, A, Prashar, V. | | Deposit date: | 2006-10-27 | | Release date: | 2006-12-19 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structure of HIV-1 protease in situ product complex and observation of a low-barrier hydrogen bond between catalytic aspartates
Proc.Natl.Acad.Sci.Usa, 103, 2006
|
|
7WJ2
 | | Crystal structure of HLA-C*1402 complexed with 8-mer HIV gag peptide | | Descriptor: | 1,2-ETHANEDIOL, 8-mer peptide, ACETATE ION, ... | | Authors: | Kuroha, J, Morita, D, Asa, M, Sugita, M. | | Deposit date: | 2022-01-05 | | Release date: | 2022-06-22 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Crystal structures of N-myristoylated lipopeptide-bound HLA class I complexes indicate reorganization of B-pocket architecture upon ligand binding.
J.Biol.Chem., 298, 2022
|
|
4Y8G
 | | Yeast 20S proteasome in complex with N3-APnLL-ep | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Huber, E.M, Groll, M. | | Deposit date: | 2015-02-16 | | Release date: | 2015-06-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Systematic Analyses of Substrate Preferences of 20S Proteasomes Using Peptidic Epoxyketone Inhibitors.
J.Am.Chem.Soc., 137, 2015
|
|
4EUZ
 | | Crystal structure of serratia fonticola carbapenemase SFC-1 S70A-Meropenem complex | | Descriptor: | (4R,5S,6S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 1,2-ETHANEDIOL, Carbapenem-hydrolizing beta-lactamase SFC-1, ... | | Authors: | Fonseca, F, Spencer, J. | | Deposit date: | 2012-04-25 | | Release date: | 2012-05-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | The basis for carbapenem hydrolysis by class A beta-lactamases: a combined investigation using crystallography and simulations.
J.Am.Chem.Soc., 134, 2012
|
|
4EY2
 | | Crystal structure of NDM-1 bound to hydrolyzed methicillin | | Descriptor: | (2R,4S)-2-{(R)-carboxy[(2,6-dimethoxybenzoyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase NDM-1, ZINC ION | | Authors: | Strynadka, N.C.J, King, D.T. | | Deposit date: | 2012-05-01 | | Release date: | 2012-08-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | New Delhi Metallo-Beta-Lactamase: Structural Insights into Beta-Lactam Recognition and Inhibition
J.Am.Chem.Soc., 134, 2012
|
|
4EYL
 | | Crystal structure of NDM-1 bound to hydrolyzed meropenem | | Descriptor: | (2S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3-methyl-2H-pyrro le-5-carboxylic acid, Beta-lactamase NDM-1, ZINC ION | | Authors: | Strynadka, N.C.J, King, D.T. | | Deposit date: | 2012-05-01 | | Release date: | 2012-08-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | New Delhi Metallo-Beta-Lactamase: Structural Insights into Beta-Lactam Recognition and Inhibition
J.Am.Chem.Soc., 134, 2012
|
|
8HMQ
 | | Crystal Structure of PKM2 mutant P403A | | Descriptor: | 1,2-ETHANEDIOL, 1,6-di-O-phosphono-beta-D-fructofuranose, GLYCEROL, ... | | Authors: | Upadhyay, S, Kumar, A, Patel, A.K. | | Deposit date: | 2022-12-05 | | Release date: | 2023-01-11 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural and mechanistic insights into cancer patient-derived mutations in Pyruvate Kinase muscle isoform 2
To Be Published
|
|
8HMU
 | | Crystal Structure of PKM2 mutant R516C | | Descriptor: | 1,2-ETHANEDIOL, 1,6-di-O-phosphono-beta-D-fructofuranose, GLYCEROL, ... | | Authors: | Upadhyay, S, Kumar, A, Patel, A.K. | | Deposit date: | 2022-12-05 | | Release date: | 2023-01-11 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural and mechanistic insights into cancer patient-derived mutations in Pyruvate Kinase muscle isoform 2
To Be Published
|
|
9LYO
 | | Alpha SARS-CoV-2 spike protein in complex with REGN10987 Fab homologue. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, REGN10987 Fab homologue (Heavy chain), ... | | Authors: | Kocharovskaya, M.V, Pichkur, E.B, Shenkarev, Z.O, Lyukmanova, E.N. | | Deposit date: | 2025-02-20 | | Release date: | 2025-04-02 | | Method: | ELECTRON MICROSCOPY (3.07 Å) | | Cite: | Structure and dynamics of Alpha B.1.1.7 SARS-CoV-2 S-protein in complex with Fab of neutralizing antibody REGN10987.
Biochem.Biophys.Res.Commun., 755, 2025
|
|
8H8R
 | | Bovine Heart Cytochrome c Oxidase in the Calcium-bound Fully Oxidized State | | 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, 1,2-ETHANEDIOL, ... | | Authors: | Muramoto, K, Shinzawa-Itoh, K. | | Deposit date: | 2022-10-24 | | Release date: | 2023-02-08 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Calcium-bound structure of bovine cytochrome c oxidase.
Biochim Biophys Acta Bioenerg, 1864, 2023
|
|
8H8S
 | | Bovine Heart Cytochrome c Oxidase in the Calcium-bound Fully Reduced State | | 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, 1,2-ETHANEDIOL, ... | | Authors: | Muramoto, K, Shinzawa-Itoh, K. | | Deposit date: | 2022-10-24 | | Release date: | 2023-02-08 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Calcium-bound structure of bovine cytochrome c oxidase.
Biochim Biophys Acta Bioenerg, 1864, 2023
|
|
7VVH
 | |
