8GUN
 
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8GUO
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8GUP
 | | Crystal structure of EsaG from Staphylococcus aureus | | Descriptor: | CITRIC ACID, Type VII secretion system protein EsaG | | Authors: | Zhang, Z.M, Wang, Y.J. | | Deposit date: | 2022-09-13 | | Release date: | 2022-11-09 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.298725 Å) | | Cite: | A toxin-deformation dependent inhibition mechanism in the T7SS toxin-antitoxin system of Gram-positive bacteria.
Nat Commun, 13, 2022
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9J6O
 | | Crystal Structure of bromodomain of human CBP in complex with the inhibitor CZL-046 | | Descriptor: | (3~{S},5~{S})-1-[3,4-bis(fluoranyl)phenyl]-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]-3-fluoranyl-pyrrolidin-2-one, CHLORIDE ION, CREB-binding protein | | Authors: | Zhang, Y, Zhang, C, Chen, Z, Yang, H, Huang, X, Li, Y, Xu, Y. | | Deposit date: | 2024-08-16 | | Release date: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | Discovery of CZL-046 with an ( S )-3-Fluoropyrrolidin-2-one Scaffold as a p300 Bromodomain Inhibitor for the Treatment of Multiple Myeloma.
J.Med.Chem., 2024
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6XEY
 | | Cryo-EM structure of the SARS-CoV-2 spike glycoprotein bound to Fab 2-4 | | Descriptor: | 2-4 Heavy Chain, 2-4 Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Rapp, M, Shapiro, L, Ho, D.D. | | Deposit date: | 2020-06-14 | | Release date: | 2020-07-22 | | Last modified: | 2021-01-27 | | Method: | ELECTRON MICROSCOPY (3.25 Å) | | Cite: | Potent neutralizing antibodies against multiple epitopes on SARS-CoV-2 spike.
Nature, 584, 2020
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8Z5C
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8Z5E
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6JRX
 | | EGFR T790M/C797S in complex with compound 6i | | Descriptor: | Epidermal growth factor receptor, N-{trans-4-[3-(2-chlorophenyl)-7-{[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]cyclohexyl}propanamide | | Authors: | Zhu, S.J, Yun, C.H. | | Deposit date: | 2019-04-06 | | Release date: | 2020-04-15 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.201 Å) | | Cite: | Design, Synthesis, and Structure-Activity Relationships of 1,2,3-Triazole Benzenesulfonamides as New Selective Leucine-Zipper and Sterile-alpha Motif Kinase (ZAK) Inhibitors.
J.Med.Chem., 63, 2020
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6JUU
 | | Crystal structure of ZAK in complex with compound 6r | | Descriptor: | Mitogen-activated protein kinase kinase kinase MLT, ~{N}-[2,4-bis(fluoranyl)-3-[4-(3-methoxy-1~{H}-pyrazolo[3,4-b]pyridin-5-yl)-1,2,3-triazol-1-yl]phenyl]naphthalene-1-sulfonamide | | Authors: | Kong, L.L, Yun, C.H. | | Deposit date: | 2019-04-15 | | Release date: | 2020-04-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.903 Å) | | Cite: | Design, Synthesis, and Structure-Activity Relationships of 1,2,3-Triazole Benzenesulfonamides as New Selective Leucine-Zipper and Sterile-alpha Motif Kinase (ZAK) Inhibitors.
J.Med.Chem., 63, 2020
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6JUT
 | | Crystal structure of ZAK in complex with compound 6k | | Descriptor: | Mitogen-activated protein kinase kinase kinase MLT, ~{N}-[2,4-bis(fluoranyl)-3-[4-(3-methoxy-1~{H}-pyrazolo[3,4-b]pyridin-5-yl)-1,2,3-triazol-1-yl]phenyl]-3-bromanyl-benzenesulfonamide | | Authors: | Kong, L.L, Yun, C.H. | | Deposit date: | 2019-04-15 | | Release date: | 2019-07-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Design, Synthesis, and Structure-Activity Relationships of 1,2,3-Triazole Benzenesulfonamides as New Selective Leucine-Zipper and Sterile-alpha Motif Kinase (ZAK) Inhibitors.
J.Med.Chem., 63, 2020
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5MWP
 | | The structure of MR in complex with AZD9977. | | Descriptor: | 2-[(3~{S})-7-fluoranyl-4-[(3-oxidanylidene-4~{H}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]-~{N}-methyl-ethanamide, Mineralocorticoid receptor, NCOA1 peptide | | Authors: | Edman, K, Aagaard, A, Backstrom, S. | | Deposit date: | 2017-01-19 | | Release date: | 2018-03-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Preclinical pharmacology of AZD9977: A novel mineralocorticoid receptor modulator separating organ protection from effects on electrolyte excretion.
PLoS ONE, 13, 2018
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5MWY
 | | The structure of MR in complex with eplerenone. | | Descriptor: | Mineralocorticoid receptor, NCOA1, eplerenone | | Authors: | Edman, K, Aagaard, A, Backstrom, S. | | Deposit date: | 2017-01-20 | | Release date: | 2018-03-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Preclinical pharmacology of AZD9977: A novel mineralocorticoid receptor modulator separating organ protection from effects on electrolyte excretion.
PLoS ONE, 13, 2018
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6SVL
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6SVK
 | | human Myeloid-derived growth factor (MYDGF) | | Descriptor: | MALONATE ION, Myeloid-derived growth factor | | Authors: | Ebenhoch, R, Nar, H. | | Deposit date: | 2019-09-18 | | Release date: | 2019-11-27 | | Last modified: | 2019-12-04 | | Method: | X-RAY DIFFRACTION (1.604 Å) | | Cite: | Crystal structure and receptor-interacting residues of MYDGF - a protein mediating ischemic tissue repair.
Nat Commun, 10, 2019
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8GWB
 | | SARS-CoV-2 E-RTC complex with RNA-nsp9 | | Descriptor: | Helicase, MANGANESE (II) ION, Non-structural protein 7, ... | | Authors: | Yan, L.M, Rao, Z.H, Lou, Z.Y. | | Deposit date: | 2022-09-16 | | Release date: | 2022-12-07 | | Last modified: | 2023-10-25 | | Method: | ELECTRON MICROSCOPY (2.75 Å) | | Cite: | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
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8EJM
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6DCH
 | | Structure of isonitrile biosynthesis enzyme ScoE | | Descriptor: | ACETATE ION, CHLORIDE ION, CHOLINE ION, ... | | Authors: | Born, D.A, Drennan, C.L. | | Deposit date: | 2018-05-07 | | Release date: | 2018-06-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Isonitrile Formation by a Non-Heme Iron(II)-Dependent Oxidase/Decarboxylase.
Angew. Chem. Int. Ed. Engl., 57, 2018
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6K3B
 | | Crystal structure of Lpg2147-Lpg2149 complex | | Descriptor: | Lpg2147, Uncharacterized protein | | Authors: | Mu, Y, Wang, Y, Han, Y, Li, D, Feng, Y. | | Deposit date: | 2019-05-17 | | Release date: | 2020-04-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.974 Å) | | Cite: | Structural insights into the mechanism and inhibition of transglutaminase-induced ubiquitination by the Legionella effector MavC.
Nat Commun, 11, 2020
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6KFP
 | | Crystal structure of MavC ternary complex | | Descriptor: | MavC, Ubiquitin-40S ribosomal protein S27a, Ubiquitin-conjugating enzyme E2 N | | Authors: | Mu, Y, Wang, Y, Han, Y, Li, D, Feng, Y. | | Deposit date: | 2019-07-08 | | Release date: | 2020-04-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.92 Å) | | Cite: | Structural insights into the mechanism and inhibition of transglutaminase-induced ubiquitination by the Legionella effector MavC.
Nat Commun, 11, 2020
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1KY4
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1KY5
 | | D244E mutant S-Adenosylhomocysteine hydrolase refined with noncrystallographic restraints | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 3'-OXO-ADENOSINE, S-adenosylhomocysteine hydrolase | | Authors: | Takata, Y, Takusagawa, F. | | Deposit date: | 2002-02-03 | | Release date: | 2002-09-25 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Catalytic Mechanism of S-adenosylhomocysteine hydrolase. Site-directed
mutagenesis of Asp-130, Lys-185, Asp-189, and Asn-190.
J.Biol.Chem., 277, 2002
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7RW2
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3SKA
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3SKE
 | | I. Novel HCV NS5B Polymerase Inhibitors: Discovery of Indole 2- Carboxylic Acids with C3-Heterocycles | | Descriptor: | 1-[(2-aminopyridin-4-yl)methyl]-3-(2,4-dioxo-1,2-dihydrothieno[3,4-d]pyrimidin-3(4H)-yl)-5-(trifluoromethyl)-1H-indole-2-carboxylic acid, HCV NS5B RNA_DEPENDENT RNA POLYMERASE, PHOSPHATE ION | | Authors: | Lesburg, C.A, Anilkumar, G.N. | | Deposit date: | 2011-06-22 | | Release date: | 2011-08-31 | | Last modified: | 2012-09-26 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | I. Novel HCV NS5B polymerase inhibitors: discovery of indole 2-carboxylic acids with C3-heterocycles.
Bioorg.Med.Chem.Lett., 21, 2011
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3SKH
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