3T9F
 
 | | Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with ADP and 1,5-(PP)2-IP4 (1,5-IP8) | | Descriptor: | (1R,3S,4R,5S,6R)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)], ADENOSINE-5'-DIPHOSPHATE, CADMIUM ION, ... | | Authors: | Wang, H, Falck, J, Hall, T.M.T, Shears, S.B. | | Deposit date: | 2011-08-02 | | Release date: | 2011-12-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for an inositol pyrophosphate kinase surmounting phosphate crowding.
Nat.Chem.Biol., 8, 2011
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6ZHZ
 | | OleP-oleandolide(DEO) in high salt crystallization conditions | | Descriptor: | (3~{R},4~{S},5~{R},6~{S},7~{S},9~{S},11~{R},12~{S},13~{R},14~{R})-3,5,7,9,11,13,14-heptamethyl-4,6,12-tris(oxidanyl)-1-oxacyclotetradecane-2,10-dione, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cytochrome P-450, ... | | Authors: | Montemiglio, L.C, Savino, C, Vallone, B, Parisi, G, Cecchetti, C. | | Deposit date: | 2020-06-24 | | Release date: | 2020-10-21 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Dissecting the Cytochrome P450 OleP Substrate Specificity: Evidence for a Preferential Substrate.
Biomolecules, 10, 2020
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7U9D
 | | Crystal Structure of Human Phosphatidylcholine Transfer Protein in Complex with PC(16:0/20:4) | | Descriptor: | GLYCEROL, Phosphatidylcholine transfer protein, [(2~{R})-1-hexadecanoyloxy-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propan-2-yl] (5~{Z},8~{Z},11~{Z},14~{Z})-icosa-5,8,11,14-tetraenoate | | Authors: | Druzak, S.A. | | Deposit date: | 2022-03-10 | | Release date: | 2023-04-12 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Ligand dependent interaction between PC-TP and PPAR delta mitigates diet-induced hepatic steatosis in male mice.
Nat Commun, 14, 2023
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8GVM
 | | The structure of azide-bound cytochrome C oxidase determined using the crystals exposed to 20 mm azide solution for 4 days | | 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, Shimada, A. | | Deposit date: | 2022-09-15 | | Release date: | 2022-10-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.851 Å) | | Cite: | X-ray structural analyses of azide-bound cytochromecoxidases reveal that the H-pathway is critically important for the proton-pumping activity
J. Biol. Chem., 293, 2018
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8WGH
 | | Cryo-EM structure of the red-shifted Fittonia albivenis PSI-LHCI | | Descriptor: | (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, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | | Authors: | Huang, G.Q, Li, X.X, Sui, S.F, Qin, X.C. | | Deposit date: | 2023-09-21 | | Release date: | 2024-07-10 | | Last modified: | 2024-08-07 | | Method: | ELECTRON MICROSCOPY (2.4 Å) | | Cite: | Structure of the red-shifted Fittonia albivenis photosystem I.
Nat Commun, 15, 2024
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8K2I
 | | Crystal structure of Group 2 Oligosaccharide/Monosaccharide-releasing beta-N-acetylhexosaminidase NgaAt from Arabidopsis thaliana in complex with GlcNAc-thiazoline | | Descriptor: | 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Sumida, T, Fushinobu, S. | | Deposit date: | 2023-07-12 | | Release date: | 2024-04-24 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Genetic and functional diversity of beta-N-acetylgalactosamine-targeting glycosidases expanded by deep-sea metagenome analysis.
Nat Commun, 15, 2024
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8K2H
 | | Crystal structure of Group 2Oligosaccharide/Monosaccharide-releasing beta-N-acetylhexosaminidase NgaAt from Arabidopsis thaliana in complex with GalNAc-thiazoline | | Descriptor: | (3aR,5R,6R,7R,7aR)-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Sumida, T, Fushinobu, S. | | Deposit date: | 2023-07-12 | | Release date: | 2024-04-24 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Genetic and functional diversity of beta-N-acetylgalactosamine-targeting glycosidases expanded by deep-sea metagenome analysis.
Nat Commun, 15, 2024
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8GCM
 | | Cryo-EM Structure of the Prostaglandin E Receptor EP4 Coupled to G Protein | | Descriptor: | (5S)-5-[(3R)-4,4-difluoro-3-hydroxy-4-phenylbutyl]-1-[6-(1H-tetrazol-5-yl)hexyl]pyrrolidin-2-one, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Huang, S.M, Xiong, M.Y, Liu, L, Mu, J, Sheng, C, Sun, J. | | Deposit date: | 2023-03-02 | | Release date: | 2024-01-03 | | Last modified: | 2024-01-10 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Single hormone or synthetic agonist induces G s /G i coupling selectivity of EP receptors via distinct binding modes and propagating paths.
Proc.Natl.Acad.Sci.USA, 120, 2023
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6Z52
 | | Crystal structure of CLK3 in complex with macrocycle ODS2003136 | | Descriptor: | 1,2-ETHANEDIOL, 11,15-dimethyl-6-(4-methylpiperazin-1-yl)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one, CHLORIDE ION, ... | | Authors: | Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-05-26 | | Release date: | 2020-06-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Crystal structure of CLK3 in complex with macrocycle ODS2003136
To Be Published
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8K2M
 | | Crystal structure of Group 4 Monosaccharide-releasing beta-N-acetylgalactosaminidase NgaP2 from Paenibacillus sp. TS12 in complex with GalNAc-thiazoline | | Descriptor: | (3aR,5R,6R,7R,7aR)-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol, BROMIDE ION, Monosaccharide-releasing beta-N-acetylgalactosaminidase | | Authors: | Sumida, T, Fushinobu, S. | | Deposit date: | 2023-07-12 | | Release date: | 2024-04-24 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Genetic and functional diversity of beta-N-acetylgalactosamine-targeting glycosidases expanded by deep-sea metagenome analysis.
Nat Commun, 15, 2024
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6Z5E
 | | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2004093 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 11-cyclopropyl-14-(2-hydroxyethyl)-8,11,14,18,19,22-hexazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaen-7-one, DIMETHYL SULFOXIDE, ... | | Authors: | Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-05-26 | | Release date: | 2020-06-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2004093
To Be Published
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8GDA
 | | Cryo-EM Structure of the Prostaglandin E2 Receptor 4 Coupled to G Protein | | Descriptor: | (2S,5R)-5-[(1E,3S)-4,4-difluoro-3-hydroxy-4-phenylbut-1-en-1-yl]-1-[6-(1H-tetrazol-5-yl)hexyl]pyrrolidin-2-ol, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | | Authors: | Shenming, H, Mengyao, X, Lei, L, Jiangqian, M, Sheng, C, Jinpeng, S. | | Deposit date: | 2023-03-03 | | Release date: | 2024-01-10 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Single hormone or synthetic agonist induces G s /G i coupling selectivity of EP receptors via distinct binding modes and propagating paths.
Proc.Natl.Acad.Sci.USA, 120, 2023
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3GG1
 | | Klebsiella pneumoniae BlrP1 pH 8.0 calcium/cy-diGMP complex | | 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, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Barends, T, Hartmann, E, Griese, J, Beitlich, T, Kirienko, N, Ryjenkov, D, Reinstein, J, Shoeman, R, Gomelsky, M, Schlichting, I. | | Deposit date: | 2009-02-27 | | Release date: | 2009-06-23 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure and mechanism of a bacterial light-regulated cyclic nucleotide phosphodiesterase.
Nature, 459, 2009
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6ZI2
 | | OleP-oleandolide(DEO) in low salt crystallization conditions | | Descriptor: | (3~{R},4~{S},5~{R},6~{S},7~{S},9~{S},11~{R},12~{S},13~{R},14~{R})-3,5,7,9,11,13,14-heptamethyl-4,6,12-tris(oxidanyl)-1-oxacyclotetradecane-2,10-dione, Cytochrome P-450, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Savino, C, Montemiglio, L.C, Vallone, B, Parisi, G, Cecchetti, C. | | Deposit date: | 2020-06-24 | | Release date: | 2020-10-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.93 Å) | | Cite: | Dissecting the Cytochrome P450 OleP Substrate Specificity: Evidence for a Preferential Substrate.
Biomolecules, 10, 2020
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7OP7
 | | Bacteroides thetaiotaomicron mannosidase GH2 with beta-manno-configured N-alkyl cyclophellitol aziridine | | Descriptor: | (1R,2S,3R,4S,5R,6R)-5-(8-azidooctylamino)-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, BROMIDE ION, ... | | Authors: | McGregor, N.G.S, Beenakker, T.J.M, Kuo, C, Wong, C, Offen, W.A, Armstrong, Z, Codee, J.D.C, Aerts, J.M.F.G, Florea, B.I, Overkleeft, H.S, Davies, G.J. | | Deposit date: | 2021-05-29 | | Release date: | 2022-02-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Synthesis of broad-specificity activity-based probes for exo -beta-mannosidases.
Org.Biomol.Chem., 20, 2022
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8P20
 | | TarM(Se)_G117R-UDP-4RboP-glucose | | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, GLYCEROL, ... | | Authors: | Guo, Y, Stehle, T. | | Deposit date: | 2023-05-14 | | Release date: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.848 Å) | | Cite: | Invasive Staphylococcus epidermidis uses a unique processive wall teichoic acid glycosyltransferase to evade immune recognition.
Sci Adv, 9, 2023
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7SHN
 | | Cryo-EM structure of oleoyl-CoA-bound human peroxisomal fatty acid transporter ABCD1 | | Descriptor: | ATP-binding cassette sub-family D member 1, S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (9Z)-octadec-9-enethioate (non-preferred name) | | Authors: | Wang, R, Li, X. | | Deposit date: | 2021-10-09 | | Release date: | 2021-11-03 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural basis of acyl-CoA transport across the peroxisomal membrane by human ABCD1.
Cell Res., 32, 2022
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3G61
 | | Structure of P-glycoprotein Reveals a Molecular Basis for Poly-Specific Drug Binding | | Descriptor: | (4S,11S,18S)-4,11,18-tri(propan-2-yl)-6,13,20-triselena-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1~5,8~.1~12,15~]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, Multidrug resistance protein 1a | | Authors: | Aller, S.G, Yu, J, Ward, A, Weng, Y, Chittaboina, S, Zhuo, R, Harrell, P.M, Trinh, Y.T, Zhang, Q, Urbatsch, I.L, Chang, G. | | Deposit date: | 2009-02-05 | | Release date: | 2009-03-24 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (4.35 Å) | | Cite: | Structure of P-glycoprotein reveals a molecular basis for poly-specific drug binding.
Science, 323, 2009
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8G4A
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7S0V
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8GES
 | | R. hominis 2 beta-glucuronidase bound to UNC10201652-glucuronide | | Descriptor: | 8-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-5-(morpholin-4-yl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3 -c]isoquinoline, FLAVIN MONONUCLEOTIDE, GLYCEROL, ... | | Authors: | Simpson, J.B, Redinbo, M.R. | | Deposit date: | 2023-03-07 | | Release date: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Diverse Human Therapeutics Impact Hormone and Neurotransmitter Homeostasis by Inhibiting Gut Microbial Enzymes
To Be Published
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4ZA4
 | | Structure of A. niger Fdc1 with the prenylated-flavin cofactor in the iminium form. | | Descriptor: | 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, Fdc1, MANGANESE (II) ION, ... | | Authors: | Payne, K.A.P, Leys, D. | | Deposit date: | 2015-04-13 | | Release date: | 2015-06-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | New cofactor supports alpha , beta-unsaturated acid decarboxylation via 1,3-dipolar cycloaddition.
Nature, 522, 2015
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7BU7
 | | Structure of human beta1 adrenergic receptor bound to BI-167107 and nanobody 6B9 | | Descriptor: | (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 8-[(1R)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one, ... | | Authors: | Xu, X, Kaindl, J, Clark, M, Hubner, H, Hirata, K, Sunahara, R, Gmeiner, P, Kobilka, B.K, Liu, X. | | Deposit date: | 2020-04-04 | | Release date: | 2020-12-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.6 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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5Z86
 | | azide-bound cytochrome c oxidase structure determined using the crystals exposed to 20 mM azide solution for 3 days | | 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: | Shimada, A, Hatano, K, Tadehara, H, Tsukihara, T. | | Deposit date: | 2018-01-31 | | Release date: | 2018-08-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | X-ray structural analyses of azide-bound cytochromecoxidases reveal that the H-pathway is critically important for the proton-pumping activity.
J. Biol. Chem., 293, 2018
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5LLM
 | | Structure of the thermostabilized EAAT1 cryst mutant in complex with L-ASP and the allosteric inhibitor UCPH101 | | Descriptor: | 2-Amino-5,6,7,8-tetrahydro-4-(4-methoxyphenyl)-7-(naphthalen-1-yl)-5-oxo-4H-chromene-3-carbonitrile, ASPARTIC ACID, Excitatory amino acid transporter 1,Neutral amino acid transporter B(0),Excitatory amino acid transporter 1, ... | | Authors: | Canul-Tec, J, Assal, R, Legrand, P, Reyes, N. | | Deposit date: | 2016-07-27 | | Release date: | 2017-04-19 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Structure and allosteric inhibition of excitatory amino acid transporter 1.
Nature, 544, 2017
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