7S4H
 
 | | CryoEM structure of Methylococcus capsulatus (Bath) pMMO in a native lipid nanodisc at 2.14 Angstrom resolution | | Descriptor: | 1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dihexanoyl-sn-glycero-3-phosphocholine, Ammonia monooxygenase/methane monooxygenase, ... | | Authors: | Koo, C.W, Rosenzweig, A.C. | | Deposit date: | 2021-09-08 | | Release date: | 2022-03-30 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (2.14 Å) | | Cite: | Recovery of particulate methane monooxygenase structure and activity in a lipid bilayer.
Science, 375, 2022
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7C6X
 | | Crystal structure of beta-glycosides-binding protein (W41A) of ABC transporter in an open state (Form I) | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Kanaujia, S.P, Chandravanshi, M, Samanta, R. | | Deposit date: | 2020-05-22 | | Release date: | 2020-09-16 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers.
J.Mol.Biol., 432, 2020
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9DY7
 | | Proteus vulgaris tryptophan indole-lyase complexed with L-ethionine and Na+ | | Descriptor: | (2E)-4-(ethylsulfanyl)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}butanoic acid, (E)-S-ethyl-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-homocysteine, 1,2-ETHANEDIOL, ... | | Authors: | Phillips, R.S. | | Deposit date: | 2024-10-13 | | Release date: | 2025-04-16 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Structure and dynamics of Proteus vulgaris tryptophan indole-lyase complexes with l-ethionine and l-alanine.
Arch.Biochem.Biophys., 768, 2025
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5JMA
 | | Crystal structure of Mycobacterium avium SerB2 in complex with serine at catalytic (PSP) domain | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, Phosphoserine phosphatase, ... | | Authors: | Shree, S, Dubey, S, Agrawal, A, Ramachandran, R. | | Deposit date: | 2016-04-28 | | Release date: | 2017-05-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Crystal structure of Mycobacterium avium SerB2 in complex with serine at catalytic (PSP) domain
To be published
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7AJH
 | | bovine ATP synthase dimer state3:state1 | | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ATP synthase F(0) complex subunit B1, mitochondrial, ... | | Authors: | Spikes, T.E, Montgomery, M.G, Walker, J.E. | | Deposit date: | 2020-09-29 | | Release date: | 2021-02-03 | | Last modified: | 2025-04-09 | | Method: | ELECTRON MICROSCOPY (9.7 Å) | | Cite: | Interface mobility between monomers in dimeric bovine ATP synthase participates in the ultrastructure of inner mitochondrial membranes.
Proc.Natl.Acad.Sci.USA, 118, 2021
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8C19
 | | SARS-CoV-2 NSP3 macrodomain in complex with 1-methyl-4-[5-(morpholin-4-ylcarbonyl)-2-furyl]-1H-pyrrolo[2,3-b]pyridine | | Descriptor: | 1,2-ETHANEDIOL, Non-structural protein 3, [5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)furan-2-yl]-morpholin-4-yl-methanone | | Authors: | Schuller, M, Ahel, I. | | Deposit date: | 2022-12-20 | | Release date: | 2023-03-08 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Discovery and Development Strategies for SARS-CoV-2 NSP3 Macrodomain Inhibitors.
Pathogens, 12, 2023
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7NQ5
 | | C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 3-(2-(benzyloxy)phenyl)-5-methyl-1H-1,2,4-triazole | | Descriptor: | 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3-methyl-5-(2-phenylmethoxyphenyl)-4~{H}-1,2,4-triazole, ... | | Authors: | Chung, C. | | Deposit date: | 2021-03-01 | | Release date: | 2021-03-24 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Template-Hopping Approach Leads to Potent, Selective, and Highly Soluble Bromo and Extraterminal Domain (BET) Second Bromodomain (BD2) Inhibitors.
J.Med.Chem., 64, 2021
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5LRF
 | | Crystal structure of Glycogen Phosphorylase b in complex with KS389 | | Descriptor: | (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(3-naphthalen-2-yl-1~{H}-1,2,4-triazol-5-yl)oxane-3,4,5-triol, DIMETHYL SULFOXIDE, Glycogen phosphorylase, ... | | Authors: | Kantsadi, A.L, Leonidas, D.D. | | Deposit date: | 2016-08-18 | | Release date: | 2017-06-14 | | Last modified: | 2025-04-09 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | van der Waals interactions govern C-beta-d-glucopyranosyl triazoles' nM inhibitory potency in human liver glycogen phosphorylase.
J. Struct. Biol., 199, 2017
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8VDS
 | | DNA Ligase 1 with nick DNA 3'rG:C | | Descriptor: | DNA (5'-D(*GP*TP*CP*CP*GP*AP*CP*CP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA ligase 1, DNA/RNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*T)-R(P*G)-D(P*GP*TP*CP*GP*GP*AP*C)-3') | | Authors: | KanalElamparithi, B, Gulkis, M, Caglayan, M. | | Deposit date: | 2023-12-17 | | Release date: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Structures of LIG1 provide a mechanistic basis for understanding a lack of sugar discrimination against a ribonucleotide at the 3'-end of nick DNA.
J.Biol.Chem., 300, 2024
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6IC2
 | | Polypharmacology of Epacadostat: a Potent and Selective Inhibitor of the Tumor Associated Carbonic Anhydrases IX and XII | | Descriptor: | Carbonic anhydrase 2, N-(3-bromo-4-fluorophenyl)-N'-hydroxy-4-{[2-(sulfamoylamino)ethyl]amino}-1,2,5-oxadiazole-3-carboximidamide, ZINC ION | | Authors: | Angeli, A, Ferraroni, M, Supuran, C.T, Carta, F. | | Deposit date: | 2018-12-01 | | Release date: | 2019-05-15 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Polypharmacology of epacadostat: a potent and selective inhibitor of the tumor associated carbonic anhydrases IX and XII.
Chem.Commun.(Camb.), 55, 2019
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8VDT
 | | DNA Ligase 1 with nick DNA 3'rA:T | | Descriptor: | DNA (5'-D(*GP*TP*CP*CP*GP*AP*CP*TP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA ligase 1, DNA/RNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*T)-R(P*A)-D(P*GP*TP*CP*GP*GP*AP*C)-3'), ... | | Authors: | KanalElamparithi, B, Gulkis, M, Caglayan, M. | | Deposit date: | 2023-12-17 | | Release date: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Structures of LIG1 provide a mechanistic basis for understanding a lack of sugar discrimination against a ribonucleotide at the 3'-end of nick DNA.
J.Biol.Chem., 300, 2024
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8RVL
 | | Proteasomal late precursor complex from pre1-1 | | Descriptor: | Probable proteasome subunit alpha type-7, Proteasome assembly chaperone 2, Proteasome chaperone 1, ... | | Authors: | Mark, E, Ramos, P.C, Kayser, F, Hoeckendorff, J, Dohmen, R.J, Wendler, P. | | Deposit date: | 2024-02-01 | | Release date: | 2024-09-11 | | Last modified: | 2024-09-25 | | Method: | ELECTRON MICROSCOPY (2.14 Å) | | Cite: | Structural roles of Ump1 and beta-subunit propeptides in proteasome biogenesis.
Life Sci Alliance, 7, 2024
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8VZL
 | | DNA Ligase 1 captured with pre-step 3 ligation at the rG:C nicksite | | Descriptor: | ADENOSINE MONOPHOSPHATE, DNA (5'-D(*GP*TP*CP*CP*GP*AP*CP*CP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(P*GP*TP*CP*GP*GP*AP*C)-3'), ... | | Authors: | KanalElamparithi, B, Gulkis, M, Caglayan, M. | | Deposit date: | 2024-02-11 | | Release date: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Structures of LIG1 provide a mechanistic basis for understanding a lack of sugar discrimination against a ribonucleotide at the 3'-end of nick DNA.
J.Biol.Chem., 300, 2024
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8XQN
 | | Structure of human class T GPCR TAS2R14-DNGi complex with Aristolochic acid A. | | Descriptor: | 8-methoxy-6-nitro-naphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid, CHOLESTEROL, Exo-alpha-sialidase,Taste receptor type 2 member 14,LgBiT, ... | | Authors: | Hu, X.L, Wu, L.J, Hua, T, Liu, Z.J. | | Deposit date: | 2024-01-05 | | Release date: | 2024-07-10 | | Last modified: | 2025-07-16 | | Method: | ELECTRON MICROSCOPY (3.05 Å) | | Cite: | Bitter taste TAS2R14 activation by intracellular tastants and cholesterol.
Nature, 631, 2024
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8I3O
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8XW9
 | | Crystal structure of Streptococcus pneumoniae pyruvate kinase in complex with oxalate and fructose 1,6-bisphosphate and UDP | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, OXALATE ION, ... | | Authors: | Nakashima, R, Taguchi, A. | | Deposit date: | 2024-01-16 | | Release date: | 2024-07-31 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural Basis of Nucleotide Selectivity in Pyruvate Kinase.
J.Mol.Biol., 436, 2024
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8XW7
 | | Crystal structure of Streptococcus pneumoniae pyruvate kinase in complex with oxalate and fructose 1,6-bisphosphate and ADP | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ... | | Authors: | Nakashima, R, Taguchi, A. | | Deposit date: | 2024-01-16 | | Release date: | 2024-07-31 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Basis of Nucleotide Selectivity in Pyruvate Kinase.
J.Mol.Biol., 436, 2024
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7ZZS
 | | HDAC2 complexed with an inhibitory ligand | | Descriptor: | (5~{S})-5-(4-chlorophenyl)pyrrolidin-2-one, 1,2-ETHANEDIOL, 2-(cyclohexylazaniumyl)ethanesulfonate, ... | | Authors: | Cleasby, A, Tisi, D. | | Deposit date: | 2022-05-26 | | Release date: | 2022-09-21 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor.
Acs Med.Chem.Lett., 13, 2022
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7SK2
 | | Human wildtype GABA reuptake transporter 1 in complex with tiagabine, inward-open conformation | | Descriptor: | Sodium- and chloride-dependent GABA transporter 1, Tiagabine | | Authors: | Gati, C, Motiwala, Z, Aduri, N.G, Shaye, H, Han, G.W, Cherezov, V. | | Deposit date: | 2021-10-19 | | Release date: | 2022-06-08 | | Last modified: | 2025-05-28 | | Method: | ELECTRON MICROSCOPY (3.82 Å) | | Cite: | Structural basis of GABA reuptake inhibition.
Nature, 606, 2022
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8XQO
 | | Structure of human class T GPCR TAS2R14-Gi complex with Aristolochic acid A. | | Descriptor: | 8-methoxy-6-nitro-naphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid, CHOLESTEROL, Exo-alpha-sialidase,Taste receptor type 2 member 14,LgBiT, ... | | Authors: | Hu, X.L, Wu, L.J, Hua, T, Liu, Z.J. | | Deposit date: | 2024-01-05 | | Release date: | 2024-07-10 | | Last modified: | 2025-07-16 | | Method: | ELECTRON MICROSCOPY (2.77 Å) | | Cite: | Bitter taste TAS2R14 activation by intracellular tastants and cholesterol.
Nature, 631, 2024
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8S1X
 | | Crystal structure of Actinonin-bound PDF1 and the computationally designed DBAct553_1 protein binder | | Descriptor: | ACTINONIN, DBAct553_1, FORMIC ACID, ... | | Authors: | Marchand, A, Pacesa, M, Correia, B.E. | | Deposit date: | 2024-02-16 | | Release date: | 2024-10-30 | | Last modified: | 2025-03-26 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Targeting protein-ligand neosurfaces with a generalizable deep learning tool.
Nature, 639, 2025
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7ZZP
 | | Structure of HDAC2 complexed with an inhibitory ligand | | Descriptor: | (2S)-2-HYDROXYPROPANOIC ACID, 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ... | | Authors: | Cleasby, A, Tisi, D. | | Deposit date: | 2022-05-25 | | Release date: | 2022-09-21 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor.
Acs Med.Chem.Lett., 13, 2022
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7BHU
 | | Crystal structure of MAT2a with elaborated fragment 26 bound in the allosteric site | | Descriptor: | 1,2-ETHANEDIOL, 7-chloranyl-4-(dimethylamino)-1-(2-hydroxyethyl)quinazolin-2-one, S-ADENOSYLMETHIONINE, ... | | Authors: | Schimpl, M, De Fusco, C, Borjesson, U, Cheung, T, Collie, I, Evans, L, Narasimhan, P, Stubbs, C, Vazquez-Chantada, M, Wagner, D.J, Grondine, M, Tentarelli, S, Underwood, E, Argyrou, A, Bagal, S, Chiarparin, E, Robb, G, Scott, J.S. | | Deposit date: | 2021-01-11 | | Release date: | 2021-04-21 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Fragment-Based Design of a Potent MAT2a Inhibitor and in Vivo Evaluation in an MTAP Null Xenograft Model.
J.Med.Chem., 64, 2021
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8Q17
 | | Identification and optimisation of novel inhibitors of the Polyketide synthetase 13 thioesterase domain with antitubercular activity | | Descriptor: | (2R)-2-{[(2R)-2-{[(2S)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propyl]oxy}propan-1-ol, GLYCEROL, Polyketide synthase Pks13, ... | | Authors: | Eadsforth, T.C, Punekar, A.S, Green, S.R, Baragana, B. | | Deposit date: | 2023-07-30 | | Release date: | 2023-11-22 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Identification and Optimization of Novel Inhibitors of the Polyketide Synthase 13 Thioesterase Domain with Antitubercular Activity.
J.Med.Chem., 66, 2023
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6T71
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