6VM3
 
 | | Full length Glycine receptor reconstituted in lipid nanodisc in Gly/IVM-conformation (State-3) | | Descriptor: | (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, ... | | Authors: | Kumar, A, Basak, S, Chakrapani, S. | | Deposit date: | 2020-01-27 | | Release date: | 2020-07-29 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.07 Å) | | Cite: | Mechanisms of activation and desensitization of full-length glycine receptor in lipid nanodiscs.
Nat Commun, 11, 2020
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5I24
 | | Crystal Structure of Agd31B, alpha-transglucosylase in Glycoside Hydrolase Family 31, in complex with Cyclophellitol Aziridine probe CF021 | | Descriptor: | (1R,2S,3S,4R,5S,6R)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Wu, L, Davies, G.J. | | Deposit date: | 2016-02-08 | | Release date: | 2016-05-04 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Detection of Active Mammalian GH31 alpha-Glucosidases in Health and Disease Using In-Class, Broad-Spectrum Activity-Based Probes.
Acs Cent.Sci., 2, 2016
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8HY9
 | | Bacterial STING from Riemerella anatipestifer in complex with 3'3'-c-di-GMP | | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CALCIUM ION, CD-NTase-associated protein 12 | | Authors: | Wang, Y.-C, Yang, C.-S, Hou, M.-H, Chen, Y. | | Deposit date: | 2023-01-06 | | Release date: | 2024-01-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.462 Å) | | Cite: | Structural insights into the regulation, ligand recognition, and oligomerization of bacterial STING.
Nat Commun, 14, 2023
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6C4T
 | | Staphylopine dehydrogenase (SaODH) - NADP+ bound | | Descriptor: | GLYCEROL, Staphylopine dehydrogenase, [(2R,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3-HYDROXY-4-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL [(2R,3S,4S)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE | | Authors: | McFarlane, J.S, Davis, C.L, Lamb, A.L. | | Deposit date: | 2018-01-12 | | Release date: | 2018-04-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Staphylopine, pseudopaline, and yersinopine dehydrogenases: A structural and kinetic analysis of a new functional class of opine dehydrogenase.
J. Biol. Chem., 293, 2018
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8GM5
 | | Functional construct of the Eukaryotic elongation factor 2 kinase bound to Calmodulin, ADP and to the A-484954 inhibitor and showing two conformations for the 498-520 loop | | Descriptor: | 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide, ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ... | | Authors: | Piserchio, A, Isiorho, E.A, Dalby, K.N, Ghose, R. | | Deposit date: | 2023-03-24 | | Release date: | 2023-05-31 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Structure of the complex between calmodulin and a functional construct of eukaryotic elongation factor 2 kinase bound to an ATP-competitive inhibitor.
J.Biol.Chem., 299, 2023
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4J6E
 | | Structure of LPXI D225A Mutant | | Descriptor: | (2R,3R,4R,5S,6R)-2-{[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[(3R)-3-hydroxytetradecanoyl]amino}tetrahydro-2H-pyran-4-yl (3R)-3-hydroxytetradecanoate, UDP-2,3-diacylglucosamine pyrophosphatase LpxI | | Authors: | Metzger IV, L.E, Lee, J.K, Finer-Moore, J.S, Raetz, C.R.H, Stroud, R.M, Center for Structures of Membrane Proteins (CSMP) | | Deposit date: | 2013-02-11 | | Release date: | 2013-05-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | LpxI structures reveal how a lipid A precursor is synthesized.
Nat.Struct.Mol.Biol., 19, 2012
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1AH4
 | | PIG ALDOSE REDUCTASE, HOLO FORM | | Descriptor: | ALDOSE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Moras, D, Podjarny, A. | | Deposit date: | 1997-04-12 | | Release date: | 1998-04-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A 'specificity' pocket inferred from the crystal structures of the complexes of aldose reductase with the pharmaceutically important inhibitors tolrestat and sorbinil.
Structure, 5, 1997
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7QNC
 | | Cryo-EM structure of human full-length extrasynaptic alpha4beta3delta GABA(A)R in complex with THIP (gaboxadol), histamine and nanobody Nb25 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-one, ... | | Authors: | Sente, A, Desai, R, Naydenova, K, Malinauskas, T, Jounaidi, Y, Miehling, J, Zhou, X, Masiulis, S, Hardwick, S.W, Chirgadze, D.Y, Miller, K.W, Aricescu, A.R. | | Deposit date: | 2021-12-20 | | Release date: | 2022-04-13 | | Last modified: | 2022-04-20 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Differential assembly diversifies GABA A receptor structures and signalling.
Nature, 604, 2022
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8GM4
 | | Functional construct of the Eukaryotic elongation factor 2 kinase bound to an ATP-competitive inhibitor | | Descriptor: | 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide, ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ... | | Authors: | Piserchio, A, Isiorho, E.A, Dalby, K.N, Ghose, R. | | Deposit date: | 2023-03-24 | | Release date: | 2023-05-31 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Structure of the complex between calmodulin and a functional construct of eukaryotic elongation factor 2 kinase bound to an ATP-competitive inhibitor.
J.Biol.Chem., 299, 2023
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7QND
 | | Cryo-EM structure of human full-length extrasynaptic beta3delta GABA(A)R in complex with THIP (gaboxadol), histamine and nanobody Nb25 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-one, ... | | Authors: | Sente, A, Desai, R, Naydenova, K, Malinauskas, T, Jounaidi, Y, Miehling, J, Zhou, X, Masiulis, S, Hardwick, S.W, Chirgadze, D.Y, Miller, K.W, Aricescu, A.R. | | Deposit date: | 2021-12-20 | | Release date: | 2022-04-13 | | Last modified: | 2022-04-20 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Differential assembly diversifies GABA A receptor structures and signalling.
Nature, 604, 2022
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6FTG
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6TW5
 | | Plasmodium vivax N-myristoyltransferase with bound indazole inhibitor IMP-917 | | Descriptor: | 1-[5-[4-fluoranyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-2~{H}-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Brannigan, J.A. | | Deposit date: | 2020-01-12 | | Release date: | 2021-07-21 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Plasmodium vivax N-myristoyltransferase with bound indazole inhibitor IMP-917
To Be Published
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6TW7
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6TW8
 | | Leishmania major N-myristoyltransferase in complex with indazole inhibitor IMP-917 | | Descriptor: | 1-[5-[4-fluoranyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-2~{H}-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine, Glycylpeptide N-tetradecanoyltransferase, MAGNESIUM ION, ... | | Authors: | Brannigan, J.A. | | Deposit date: | 2020-01-12 | | Release date: | 2021-07-21 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Leishmania major N-myristoyltransferase in complex with indazole inhibitor IMP-917
To Be Published
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5B4A
 | | Crystal structure of LpxH with lipid X in spacegroup P21 | | Descriptor: | (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, GLYCEROL, UDP-2,3-diacylglucosamine hydrolase | | Authors: | Okada, C, Wakabayashi, H, Yao, M, Tanaka, I. | | Deposit date: | 2016-04-03 | | Release date: | 2016-09-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Crystal structures of the UDP-diacylglucosamine pyrophosphohydrase LpxH from Pseudomonas aeruginosa
Sci Rep, 6, 2016
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8TYV
 | | Crystal structure of the SPX domain of XPR1 in complex with IP8 | | Descriptor: | (1R,3S,4R,5S,6R)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)], Solute carrier family 53 member 1 | | Authors: | Wang, H, Shears, S.B. | | Deposit date: | 2023-08-25 | | Release date: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Co-ordination of cellular phosphate uptake and efflux requires an organelle-based receptor for the inositol pyrophosphate, IP8
To Be Published
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7OI6
 | | Cryo-EM structure of late human 39S mitoribosome assembly intermediates, state 1 | | Descriptor: | 16S rRNA, 39S ribosomal protein L10, mitochondrial, ... | | Authors: | Cheng, J, Berninghausen, O, Beckmann, R. | | Deposit date: | 2021-05-11 | | Release date: | 2021-10-13 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (5.7 Å) | | Cite: | A distinct assembly pathway of the human 39S late pre-mitoribosome.
Nat Commun, 12, 2021
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7D0J
 | | Photosystem I-LHCI-LHCII of Chlamydomonas reinhardtii | | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | | Authors: | Wang, W.D, Shen, L.L, Huang, Z.H, Han, G.Y, Zhang, X, Shen, J.R. | | Deposit date: | 2020-09-10 | | Release date: | 2021-03-03 | | Method: | ELECTRON MICROSCOPY (3.42 Å) | | Cite: | Structure of photosystem I-LHCI-LHCII from the green alga Chlamydomonas reinhardtii in State 2.
Nat Commun, 12, 2021
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7BVQ
 | | Structure of human beta1 adrenergic receptor bound to carazolol | | Descriptor: | (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol, (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, CHOLESTEROL, ... | | Authors: | Xu, X, Kaindl, J, Clark, M, Hubner, H, Hirata, K, Sunahara, R, Gmeiner, P, Kobilka, B.K, Liu, X. | | Deposit date: | 2020-04-11 | | Release date: | 2020-12-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Binding pathway determines norepinephrine selectivity for the human beta 1 AR over beta 2 AR.
Cell Res., 31, 2021
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1C8S
 | | BACTERIORHODOPSIN D96N LATE M STATE INTERMEDIATE | | Descriptor: | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, 2,10,23-TRIMETHYL-TETRACOSANE, BACTERIORHODOPSIN ("M" STATE INTERMEDIATE), ... | | Authors: | Luecke, H. | | Deposit date: | 1999-07-29 | | Release date: | 1999-10-20 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural changes in bacteriorhodopsin during ion transport at 2 angstrom resolution.
Science, 286, 1999
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6ZR2
 | | Cryo-EM structure of respiratory complex I in the active state from Mus musculus at 3.1 A | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Bridges, H.R, Blaza, J.N, Agip, A.N.A, Hirst, J. | | Deposit date: | 2020-07-10 | | Release date: | 2020-10-21 | | Last modified: | 2020-10-28 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structure of inhibitor-bound mammalian complex I.
Nat Commun, 11, 2020
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5ENT
 | | Minocycline bound structure of bacterial efflux pump. | | Descriptor: | (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE, DARPin, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Sjuts, H, Ornik, A.R, Pos, K.M. | | Deposit date: | 2015-11-09 | | Release date: | 2016-04-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Molecular basis for inhibition of AcrB multidrug efflux pump by novel and powerful pyranopyridine derivatives.
Proc.Natl.Acad.Sci.USA, 113, 2016
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6HVL
 | | CdaA complex with c-di-AMP and AMP | | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, ADENOSINE MONOPHOSPHATE, COBALT (II) ION, ... | | Authors: | Heidemann, J.L, Neumann, P, Ficner, R. | | Deposit date: | 2018-10-11 | | Release date: | 2019-06-05 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structures of the c-di-AMP-synthesizing enzyme CdaA.
J.Biol.Chem., 294, 2019
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6BHV
 | | Human PARP-1 bound to NAD+ analog benzamide adenine dinucleotide (BAD) | | Descriptor: | Poly [ADP-ribose] polymerase 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5S)-5-(3-carbamoylphenyl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) | | Authors: | Pascal, J.M, Langelier, M.F. | | Deposit date: | 2017-10-31 | | Release date: | 2018-02-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | NAD+analog reveals PARP-1 substrate-blocking mechanism and allosteric communication from catalytic center to DNA-binding domains.
Nat Commun, 9, 2018
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3ZWY
 | | Crystal structure of ADP-ribosyl cyclase complexed with 8-bromo-ADP- ribose and cyclic 8-bromo-cyclic-ADP-ribose | | Descriptor: | (2R,3R,4S,5R,13R,14S,15R,16R)-24-amino-18-bromo-3,4,14,15-tetrahydroxy-7,9,11,25,26-pentaoxa-17,19,22-triaza-1-azonia-8 ,10-diphosphapentacyclo[18.3.1.1^2,5^.1^13,16^.0^17,21^]hexacosa-1(24),18,20,22-tetraene-8,10-diolate 8,10-dioxide, ADP-RIBOSYL CYCLASE, [(2R,3S,4R,5R)-5-(6-amino-8-bromo-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4S)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate | | Authors: | Kotaka, M, Graeff, R, Zhang, L.H, Lee, H.C, Hao, Q. | | Deposit date: | 2011-08-03 | | Release date: | 2012-08-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Studies of Intermediates Along the Cyclization Pathway of Aplysia Adp-Ribosyl Cyclase.
To be Published
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