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8HK1
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The cryo-EM structure of human pre-17S U2 snRNP
Descriptor: ATP-dependent RNA helicase DDX42, HIV Tat-specific factor 1, PHD finger-like domain-containing protein 5A, ...
Authors:Zhang, X, Zhan, X, Shi, Y.
Deposit date:2022-11-24
Release date:2023-03-08
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Mechanisms of the RNA helicases DDX42 and DDX46 in human U2 snRNP assembly.
Nat Commun, 14, 2023
8H3J
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BU of 8h3j by Molmil
Crystal Structure of Pathogenesis-related Protein HcPR10 from Halostachys caspica in complex with trans-Zeatin-riboside
Descriptor: N-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]adenosine, PR10
Authors:Wang, Z, Ren, Y.
Deposit date:2022-10-08
Release date:2023-05-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Halostachys caspica pathogenesis-related protein 10 acts as a cytokinin reservoir to regulate plant growth and development.
Front Plant Sci, 14, 2023
8HW4
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Cryo-EM structure of dehydroepiandrosterone sulfate-bound human ABC transporter ABCC3 in nanodiscs
Descriptor: 17-oxoandrost-5-en-3beta-yl hydrogen sulfate, ATP-binding cassette sub-family C member 3
Authors:Wang, J, Wang, F.F, Chen, Y.X, Zhou, C.Z.
Deposit date:2022-12-28
Release date:2023-06-07
Last modified:2023-10-11
Method:ELECTRON MICROSCOPY (3.52 Å)
Cite:Placing steroid hormones within the human ABCC3 transporter reveals a compatible amphiphilic substrate-binding pocket.
Embo J., 42, 2023
8HJT
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Crystal Structure of Intracellular B30.2 Domain of VpBTN3 and VpBTN2 in Complex with HMBPP
Descriptor: (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Butyrophylin 3, ...
Authors:Yang, Y.Y, Shen, P.P, Li, X, Yi, S.M, Zhang, M.T, Huang, J.-W, Chen, C.-C, Guo, R.-T.
Deposit date:2022-11-23
Release date:2023-09-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
8QEC
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S. cerevisia Niemann-Pick type C protein NCR1 in GDN at pH 5.5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, CHOLESTEROL HEMISUCCINATE, ...
Authors:Frain, K.M, Dedic, E, Nel, L, Olesen, E, Stokes, D, Panyella Pedersen, B.
Deposit date:2023-08-31
Release date:2023-10-18
Last modified:2024-04-17
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Conformational changes in the Niemann-Pick type C1 protein NCR1 drive sterol translocation.
Proc.Natl.Acad.Sci.USA, 121, 2024
8QN5
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M. tuberculosis salicylate synthase MbtI in complex with methyl-AMT (new crystal form)
Descriptor: 3-{[(1Z)-1-carboxyprop-1-en-1-yl]oxy}-2-hydroxybenzoic acid, AMMONIUM ION, CITRATE ANION, ...
Authors:Mori, M, Villa, S, Meneghetti, M, Bellinzoni, M.
Deposit date:2023-09-25
Release date:2023-11-15
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.544 Å)
Cite:Structural Study of a New MbtI-Inhibitor Complex: Towards an Optimized Model for Structure-Based Drug Discovery.
Pharmaceuticals, 16, 2023
8QRT
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BU of 8qrt by Molmil
Acyl-ACP thioesterase from Lemna paucicostata in complex with a spirolactam
Descriptor: (5~{S})-7-[[2,6-bis(fluoranyl)phenyl]methyl]-3-(3-methylthiophen-2-yl)-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one, Acyl-acp thioesterase
Authors:Freigang, J.
Deposit date:2023-10-09
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery and Optimization of Spirocyclic Lactams that Inhibit Acyl-ACP Thioesterase.
Pest Manag Sci, 2024
8QS0
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Acyl-ACP thioesterase from Lemna paucicostata in complex with a spirolactam
Descriptor: (5~{S})-9-[[2,6-bis(fluoranyl)phenyl]methyl]-3-(3-methylthiophen-2-yl)-1-oxa-2,9-diazaspiro[4.5]dec-2-en-10-one, Acyl-acp thioesterase
Authors:Freigang, J.
Deposit date:2023-10-10
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery and Optimization of Spirocyclic Lactams that Inhibit Acyl-ACP Thioesterase.
Pest Manag Sci, 2024
8ST7
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Structure of E3 ligase VsHECT bound to ubiquitin
Descriptor: E3 ubiquitin-protein ligase SopA-like catalytic domain-containing protein, Ubiquitin, prop-2-en-1-amine
Authors:Franklin, T.G, Pruneda, J.N.
Deposit date:2023-05-09
Release date:2023-07-12
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Bacterial ligases reveal fundamental principles of polyubiquitin specificity.
Mol.Cell, 83, 2023
8ST9
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Structure of E3 ligase NleL bound to ubiquitin
Descriptor: E3 ubiquitin-protein ligase SopA, Ubiquitin, prop-2-en-1-amine
Authors:Franklin, T.G, Pruneda, J.N.
Deposit date:2023-05-09
Release date:2023-07-12
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Bacterial ligases reveal fundamental principles of polyubiquitin specificity.
Mol.Cell, 83, 2023
8ST8
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Structure of E3 ligase SopA bound to ubiquitin
Descriptor: E3 ubiquitin-protein ligase SopA, Ubiquitin, prop-2-en-1-amine
Authors:Franklin, T.G, Pruneda, J.N.
Deposit date:2023-05-09
Release date:2023-07-12
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Bacterial ligases reveal fundamental principles of polyubiquitin specificity.
Mol.Cell, 83, 2023
8STH
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BU of 8sth by Molmil
human STING with diABZI agonist 15
Descriptor: 1-[(2E)-4-{5-carbamoyl-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-7-(3-hydroxypropoxy)-1H-benzimidazol-1-yl}but-2-en-1-yl]-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-7-methoxy-1H-benzimidazole-5-carboxamide, Stimulator of interferon genes protein
Authors:Duvall, J.R, Bukhalid, R.A.
Deposit date:2023-05-10
Release date:2023-07-26
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Discovery and Optimization of a STING Agonist Platform for Application in Antibody Drug Conjugates.
J.Med.Chem., 66, 2023
8STI
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BU of 8sti by Molmil
human STING with agonist XMT-1616
Descriptor: 3-[(2E)-4-{5-carbamoyl-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-7-(3-hydroxypropoxy)-1H-benzimidazol-1-yl}but-2-en-1-yl]-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-3H-imidazo[4,5-b]pyridine-6-carboxamide, Stimulator of interferon genes protein
Authors:Duvall, J.R, Bukhalid, R.A.
Deposit date:2023-05-10
Release date:2023-07-26
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Discovery and Optimization of a STING Agonist Platform for Application in Antibody Drug Conjugates.
J.Med.Chem., 66, 2023
8SID
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BU of 8sid by Molmil
Human GABAA receptor alpha1-beta2-gamma2 subtype in complex with GABA plus dehydroepiandrosterone sulfate
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 17-oxoandrost-5-en-3beta-yl hydrogen sulfate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Legesse, D.H, Hibbs, R.E.
Deposit date:2023-04-14
Release date:2023-08-30
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.71 Å)
Cite:Structural insights into opposing actions of neurosteroids on GABA A receptors.
Nat Commun, 14, 2023
8SNH
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BU of 8snh by Molmil
cytochrome bc1-cbb3 supercomplex from Pseudomonas aeruginosa
Descriptor: (2R)-2-(methoxymethyl)-4-{[(25R)-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, CALCIUM ION, COPPER (II) ION, ...
Authors:Di Trani, J.M, Rubinstein, J.L.
Deposit date:2023-04-27
Release date:2023-10-11
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structure of the bc 1 - cbb 3 respiratory supercomplex from Pseudomonas aeruginosa.
Proc.Natl.Acad.Sci.USA, 120, 2023
8SMR
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BU of 8smr by Molmil
cytochrome bc1-cbb3 supercomplex from Pseudomonas aeruginosa
Descriptor: (2R)-2-(methoxymethyl)-4-{[(25R)-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, CALCIUM ION, COPPER (II) ION, ...
Authors:Di Trani, J.M, Rubinstein, J.L.
Deposit date:2023-04-26
Release date:2023-10-11
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structure of the bc 1 - cbb 3 respiratory supercomplex from Pseudomonas aeruginosa.
Proc.Natl.Acad.Sci.USA, 120, 2023
8T6L
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BU of 8t6l by Molmil
Cryo-EM structure of rat cardiac sodium channel NaV1.5 with batrachotoxin analog BTX-B
Descriptor: (1R)-1-[(5aR,7aR,9R,11aS,11bS,12R,13aR)-9,12-dihydroxy-2,11a-dimethyl-1,2,3,4,7a,8,9,10,11,11a,12,13-dodecahydro-7H-9,11b-epoxy-13a,5a-prop[1]enophenanthro[2,1-f][1,4]oxazepin-14-yl]ethyl benzoate, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, ...
Authors:Tonggu, L, Wisedchaisri, G, Gamal El-Din, T.M, Zheng, N, Catterall, W.A.
Deposit date:2023-06-16
Release date:2024-03-06
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Dual receptor-sites reveal the structural basis for hyperactivation of sodium channels by poison-dart toxin batrachotoxin.
Nat Commun, 15, 2024
8SSI
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BU of 8ssi by Molmil
Structure of Burkholderia pseudomallei deubiquitinase TssM in complex with ubiquitin
Descriptor: Deubiquitinase TssM, GLYCEROL, Ubiquitin, ...
Authors:Szczesna, M, Pruneda, J.N, Thurston, T.L.M.
Deposit date:2023-05-08
Release date:2024-06-05
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Burkholderia esterase TssM counters RNF213-mediated bacterial ubiquitylation
To Be Published
8R67
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BU of 8r67 by Molmil
tubulin-cryptophycin complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[(3~{S},10~{R},13~{E},16~{S})-10-[(3-chloranyl-4-methoxy-phenyl)methyl]-6,6-dimethyl-2,5,9,12-tetrakis(oxidanylidene)-16-[(1~{S})-1-[(2~{R},3~{R})-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-en-3-yl]ethanoic acid, CALCIUM ION, ...
Authors:Abel, A.C, Muehlethaler, T, Dessin, C, Steinmetz, M.O, Sewald, N, Prota, A.E.
Deposit date:2023-11-21
Release date:2024-05-22
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Bridging the maytansine and vinca sites: Cryptophycins target beta-tubulin's T5-loop.
J.Biol.Chem., 300, 2024
8VJP
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Histidine-covalent stapled alpha-helical peptide (155H1) targeting hMcl-1
Descriptor: (4Z)-oct-4-en-1-ol, (S~1~R)-3-carbamoyl-4-methoxybenzene-1-sulfinic acid, Histidine-covalent stapled alpha-helical peptide, ...
Authors:Muzzarelli, K.M, Assar, Z, Alboreggia, G, Pellecchia, M.
Deposit date:2024-01-07
Release date:2024-05-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Histidine-Covalent Stapled Alpha-Helical Peptides Targeting hMcl-1.
J.Med.Chem., 67, 2024
8WBX
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BU of 8wbx by Molmil
Cryo-EM structure of the ABCG25 bound to ABA
Descriptor: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, ABC transporter G family member 25
Authors:Xin, J, Yan, K.G.
Deposit date:2023-09-10
Release date:2023-09-27
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (3.23 Å)
Cite:Structural insights into AtABCG25, an angiosperm-specific abscisic acid exporter.
Plant Commun., 5, 2024
8SX8
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BU of 8sx8 by Molmil
Bovine multidrug resistance protein 4 (MRP4) bound to prostaglandin E1 in MSP lipid nanodisc
Descriptor: 7-[(1R,3R)-3-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]heptanoic acid, Multidrug resistance-associated protein 4
Authors:Pourmal, S, Stroud, R.M.
Deposit date:2023-05-20
Release date:2024-01-17
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural basis of prostaglandin efflux by MRP4.
Nat.Struct.Mol.Biol., 31, 2024
8SX7
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BU of 8sx7 by Molmil
Bovine multidrug resistance protein 4 (MRP4) bound to DHEA-S in MSP lipid nanodisc
Descriptor: 17-oxoandrost-5-en-3beta-yl hydrogen sulfate, Multidrug resistance-associated protein 4
Authors:Pourmal, S, Stroud, R.M.
Deposit date:2023-05-20
Release date:2024-01-17
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structural basis of prostaglandin efflux by MRP4.
Nat.Struct.Mol.Biol., 31, 2024
8V4P
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BU of 8v4p by Molmil
Crystal structure of Acetyl-CoA synthetase 2 in complex with Adenosine-5'-allylphosphate from Candida albicans
Descriptor: 5'-O-{(S)-hydroxy[(prop-2-en-1-yl)oxy]phosphoryl}adenosine, Acetyl-coenzyme A synthetase 2, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-11-29
Release date:2023-12-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of Acetyl-CoA synthetase 2 in complex with Adenosine-5'-allylphosphate from Candida albicans
To be published
8WEA
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BU of 8wea by Molmil
Human L-type voltage-gated calcium channel Cav1.2 (Class II) in the presence of pinaverium at 3.2 Angstrom resolution
Descriptor: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Gao, S, Yao, X, Fan, X, Yan, N.
Deposit date:2023-09-17
Release date:2023-12-06
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis for human Ca v 1.2 inhibition by multiple drugs and the neurotoxin calciseptine.
Cell, 186, 2023

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PDB entries from 2024-06-19

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