8IL7
 
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7S0Y
 | | Structures of TcdB in complex with Cdc42 | | Descriptor: | Cell division control protein 42 homolog, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Zheng, L, Rongsheng, J, Peng, C. | | Deposit date: | 2021-08-31 | | Release date: | 2021-09-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Structural basis for selective modification of Rho and Ras GTPases by Clostridioides difficile toxin B.
Sci Adv, 7, 2021
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7S0Z
 | | Structures of TcdB in complex with R-Ras | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, AMMONIUM ION, ... | | Authors: | Zheng, L, Rongsheng, J, Peng, C. | | Deposit date: | 2021-08-31 | | Release date: | 2021-09-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Structural basis for selective modification of Rho and Ras GTPases by Clostridioides difficile toxin B.
Sci Adv, 7, 2021
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7SLY
 | | Vanin-1 complexed with Compound 27 | | Descriptor: | (8-oxa-2-azaspiro[4.5]decan-2-yl)(2-{[(1S)-1-(pyrazin-2-yl)ethyl]amino}pyrimidin-5-yl)methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, Pantetheinase, ... | | Authors: | Vajdos, F.F. | | Deposit date: | 2021-10-25 | | Release date: | 2022-01-12 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Discovery of a Series of Pyrimidine Carboxamides as Inhibitors of Vanin-1.
J.Med.Chem., 65, 2022
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7SLX
 | | Vanin-1 complexed with Compound 11 | | Descriptor: | (3R)-1-(2-{[1-(pyrimidin-5-yl)cyclopropyl]amino}pyrimidine-5-carbonyl)piperidine-3-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, Pantetheinase, ... | | Authors: | Vajdos, F.F. | | Deposit date: | 2021-10-25 | | Release date: | 2022-01-12 | | Last modified: | 2022-01-26 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Discovery of a Series of Pyrimidine Carboxamides as Inhibitors of Vanin-1.
J.Med.Chem., 65, 2022
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7SLV
 | | Vanin-1 complexed with Compound 3 | | Descriptor: | (8-oxa-2-azaspiro[4.5]decan-2-yl)(2-{[(pyrazin-2-yl)methyl]amino}pyrimidin-5-yl)methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, Pantetheinase, ... | | Authors: | Vajdos, F.F. | | Deposit date: | 2021-10-25 | | Release date: | 2022-01-12 | | Last modified: | 2022-01-26 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Discovery of a Series of Pyrimidine Carboxamides as Inhibitors of Vanin-1.
J.Med.Chem., 65, 2022
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7S8O
 | | CryoEM structure of Gi-coupled MRGPRX2 with small molecule agonist (R)-Zinc-3573 | | Descriptor: | (3R)-N,N-dimethyl-1-[(8S)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-3-amine, 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: | Cao, C, Fay, J.F, Gumpper, R.H, Roth, B.L. | | Deposit date: | 2021-09-18 | | Release date: | 2021-11-17 | | Last modified: | 2021-12-15 | | Method: | ELECTRON MICROSCOPY (2.58 Å) | | Cite: | Structure, function and pharmacology of human itch GPCRs.
Nature, 600, 2021
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7S8L
 | | CryoEM structure of Gq-coupled MRGPRX2 with peptide agonist Cortistatin-14 | | Descriptor: | Cortistatin 14, Gs-mini-Gq chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Cao, C, Fay, J.F, Gumpper, R.H, Roth, B.L. | | Deposit date: | 2021-09-18 | | Release date: | 2021-11-17 | | Last modified: | 2021-12-15 | | Method: | ELECTRON MICROSCOPY (2.45 Å) | | Cite: | Structure, function and pharmacology of human itch GPCRs.
Nature, 600, 2021
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7S8P
 | | CryoEM structure of Gq-coupled MRGPRX4 with small molecule agonist MS47134 | | Descriptor: | Gs-mini-Gq chimera, 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: | Cao, C, Fay, J.F, Gumpper, R.H, Roth, B.L. | | Deposit date: | 2021-09-18 | | Release date: | 2021-11-17 | | Last modified: | 2021-12-15 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Structure, function and pharmacology of human itch GPCRs.
Nature, 600, 2021
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7S8M
 | | CryoEM structure of Gi-coupled MRGPRX2 with peptide agonist Cortistatin-14 | | Descriptor: | Cortistatin 14, 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: | Cao, C, Fay, J.F, Gumpper, R.H, Roth, B.L. | | Deposit date: | 2021-09-18 | | Release date: | 2021-11-17 | | Last modified: | 2021-12-15 | | Method: | ELECTRON MICROSCOPY (2.54 Å) | | Cite: | Structure, function and pharmacology of human itch GPCRs.
Nature, 600, 2021
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7S8N
 | | CryoEM structure of Gq-coupled MRGPRX2 with small molecule agonist (R)-Zinc-3573 | | Descriptor: | (3R)-N,N-dimethyl-1-[(8S)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-3-amine, Gs-mini-Gq chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Cao, C, Fay, J.F, Gumpper, R.H, Roth, B.L. | | Deposit date: | 2021-09-18 | | Release date: | 2021-11-17 | | Last modified: | 2021-12-15 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structure, function and pharmacology of human itch GPCRs.
Nature, 600, 2021
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7SEL
 | | E. coli MsbA in complex with LPS and inhibitor G7090 (compound 3) | | Descriptor: | (2E)-3-{7-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-1-methylnaphthalen-2-yl}prop-2-enoic acid, (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]-5-oxidanyl-oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, ATP-dependent lipid A-core flippase | | Authors: | Payandeh, J, Koth, C.M, Verma, V.A. | | Deposit date: | 2021-09-30 | | Release date: | 2022-03-09 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.978 Å) | | Cite: | Discovery of Inhibitors of the Lipopolysaccharide Transporter MsbA: From a Screening Hit to Potent Wild-Type Gram-Negative Activity.
J.Med.Chem., 65, 2022
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7DEG
 | | Cryo-EM structure of a heme-copper terminal oxidase dimer provides insights into its catalytic mechanism | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-[(2~{E},6~{E},10~{Z},14~{Z},18~{Z},23~{R})-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18-pentaenyl]naphthalene-1,4-dione, ... | | Authors: | Fei, S, Hartmut, M, Yun, Z, Guoliang, Z, Shuangbo, Z. | | Deposit date: | 2020-11-04 | | Release date: | 2021-08-04 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | The Unusual Homodimer of a Heme-Copper Terminal Oxidase Allows Itself to Utilize Two Electron Donors.
Angew.Chem.Int.Ed.Engl., 60, 2021
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7MBO
 | | FACTOR XIA (PICHIA PASTORIS; C500S [C122S]) IN COMPLEX WITH THE INHIBITOR Milvexian (BMS-986177), IUPAC NAME:(6R,10S)-10-{4-[5-chloro-2-(4-chloro-1H-1,2,3-triazol-1-yl)phenyl]-6- oxopyrimidin-1(6H)-yl}-1-(difluoromethyl)-6-methyl-1,4,7,8,9,10-hexahydro-15,11- (metheno)pyrazolo[4,3-b][1,7]diazacyclotetradecin-5(6H)-one | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XIa light chain, Milvexian | | Authors: | Sheriff, S. | | Deposit date: | 2021-04-01 | | Release date: | 2021-09-15 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (0.924 Å) | | Cite: | Discovery of Milvexian, a High-Affinity, Orally Bioavailable Inhibitor of Factor XIa in Clinical Studies for Antithrombotic Therapy.
J.Med.Chem., 65, 2022
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5OLB
 | | crystal structure of autotaxin in complex with PF-8380 | | Descriptor: | (3,5-dichlorophenyl)methyl 4-[3-oxo-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Hoerer, S, Lammens, A. | | Deposit date: | 2017-07-27 | | Release date: | 2018-01-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Discovery of BI-2545: A Novel Autotaxin Inhibitor That Significantly Reduces LPA Levels in Vivo.
ACS Med Chem Lett, 8, 2017
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6LIT
 | | Estrogen-related receptor beta(ERR2) in complex with BPA | | Descriptor: | 10-mer from Nuclear receptor coactivator 2, 4,4'-PROPANE-2,2-DIYLDIPHENOL, Steroid hormone receptor ERR2 | | Authors: | Yao, B.Q, Li, Y. | | Deposit date: | 2019-12-13 | | Release date: | 2020-10-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Insights into the Specificity of Ligand Binding and Coactivator Assembly by Estrogen-Related Receptor beta.
J.Mol.Biol., 432, 2020
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7T3D
 | | CryoEM map of anchor 222-1C06 Fab and lateral patch 2B05 Fab binding H1 HA | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 222-1C06 mAb heavy chain, ... | | Authors: | Han, J, Ward, A.B. | | Deposit date: | 2021-12-07 | | Release date: | 2022-01-12 | | Last modified: | 2022-03-30 | | Method: | ELECTRON MICROSCOPY (3.38 Å) | | Cite: | Broadly neutralizing antibodies target a haemagglutinin anchor epitope.
Nature, 602, 2022
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6LN4
 | | Estrogen-related receptor beta(ERR2) in complex with PGC1a-2a | | Descriptor: | 10-mer from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, Steroid hormone receptor ERR2 | | Authors: | Yao, B.Q, Li, Y. | | Deposit date: | 2019-12-28 | | Release date: | 2020-10-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Structural Insights into the Specificity of Ligand Binding and Coactivator Assembly by Estrogen-Related Receptor beta.
J.Mol.Biol., 432, 2020
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6WHC
 | | CryoEM Structure of the glucagon receptor with a dual-agonist peptide | | Descriptor: | Dual-agonist peptide, Glucagon receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Belousoff, M.J, Sexton, P, Danev, R. | | Deposit date: | 2020-04-07 | | Release date: | 2020-05-27 | | Last modified: | 2020-07-22 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Cryo-electron microscopy structure of the glucagon receptor with a dual-agonist peptide.
J.Biol.Chem., 295, 2020
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7D5C
 | | IleRS in complex with a tRNA site inhibitor | | Descriptor: | (2E,4S,5S,6E,8E)-10-[(2S,3R,6S,8R,9S)-3-butyl-9-methyl-2-[(1E,3E)-3-methyl-5-oxidanyl-5-oxidanylidene-penta-1,3-dienyl]-3-(4-oxidanyl-4-oxidanylidene-butanoyl)oxy-1,7-dioxaspiro[5.5]undecan-8-yl]-4,8-dimethyl-5-oxidanyl-deca-2,6,8-trienoic acid, 1,2-ETHANEDIOL, Isoleucine--tRNA ligase, ... | | Authors: | Chen, B, Luo, S, Zhou, H. | | Deposit date: | 2020-09-25 | | Release date: | 2021-02-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.895 Å) | | Cite: | Inhibitory mechanism of reveromycin A at the tRNA binding site of a class I synthetase.
Nat Commun, 12, 2021
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8IOY
 | | Structure of ATP7B C983S/C985S/D1027A mutant with AMP-PNP | | Descriptor: | Copper-transporting ATPase 2, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Yang, G, Xu, L, Guo, J, Wu, Z. | | Deposit date: | 2023-03-13 | | Release date: | 2023-04-26 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Structures of the human Wilson disease copper transporter ATP7B.
Cell Rep, 42, 2023
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7CZP
 | | S protein of SARS-CoV-2 in complex bound with P2B-1A1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, IG c181_light_IGLV2-14_IGLJ3,IGL@ protein, ... | | Authors: | Yan, R.H, Zhang, Y.Y, Li, Y.N, Zhou, Q. | | Deposit date: | 2020-09-09 | | Release date: | 2021-03-10 | | Last modified: | 2021-05-19 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis for bivalent binding and inhibition of SARS-CoV-2 infection by human potent neutralizing antibodies.
Cell Res., 31, 2021
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7CZQ
 | | S protein of SARS-CoV-2 in complex bound with P2B-1A10 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, IG c642_heavy_IGHV3-53_IGHD1-26_IGHJ6,Chain H of P2B-1A10,Immunoglobulin gamma-1 heavy chain, ... | | Authors: | Yan, R.H, Zhang, Y.Y, Li, Y.N, Zhou, Q. | | Deposit date: | 2020-09-09 | | Release date: | 2021-03-10 | | Last modified: | 2021-05-19 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structural basis for bivalent binding and inhibition of SARS-CoV-2 infection by human potent neutralizing antibodies.
Cell Res., 31, 2021
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7CZR
 | | S protein of SARS-CoV-2 in complex bound with P5A-1B8_2B | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, IG c542_heavy_IGHV3-53_IGHD3-10_IGHJ6,IGH@ protein, ... | | Authors: | Yan, R.H, Zhang, Y.Y, Li, Y.N, Zhou, Q. | | Deposit date: | 2020-09-09 | | Release date: | 2021-03-10 | | Last modified: | 2021-05-19 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structural basis for bivalent binding and inhibition of SARS-CoV-2 infection by human potent neutralizing antibodies.
Cell Res., 31, 2021
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7CZT
 | | S protein of SARS-CoV-2 in complex bound with P5A-2G9 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, IG c689_light_IGLV5-37_IGLJ3,IGL@ protein, ... | | Authors: | Yan, R.H, Zhang, Y.Y, Li, Y.N, Zhou, Q. | | Deposit date: | 2020-09-09 | | Release date: | 2021-03-10 | | Last modified: | 2021-05-19 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Structural basis for bivalent binding and inhibition of SARS-CoV-2 infection by human potent neutralizing antibodies.
Cell Res., 31, 2021
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