6D1G
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![BU of 6d1g by Molmil](/molmil-images/mine/6d1g) | Crystal structure of NDM-1 complexed with compound 9 | Descriptor: | ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ... | Authors: | Pemberton, O.A, Chen, Y. | Deposit date: | 2018-04-11 | Release date: | 2019-04-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases. J.Med.Chem., 62, 2019
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6D1J
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![BU of 6d1j by Molmil](/molmil-images/mine/6d1j) | Crystal structure of NDM-1 complexed with compound 13 | Descriptor: | ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ... | Authors: | Pemberton, O.A, Chen, Y. | Deposit date: | 2018-04-11 | Release date: | 2019-04-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases. J.Med.Chem., 62, 2019
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6D17
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![BU of 6d17 by Molmil](/molmil-images/mine/6d17) | Crystal structure of KPC-2 complexed with compound 3 | Descriptor: | Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, [(6-oxo-2H,6H-[1,3]dioxolo[4,5-g][1]benzopyran-8-yl)methyl]phosphonic acid | Authors: | Pemberton, O.A, Chen, Y. | Deposit date: | 2018-04-11 | Release date: | 2019-04-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases. J.Med.Chem., 62, 2019
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6D18
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![BU of 6d18 by Molmil](/molmil-images/mine/6d18) | Crystal structure of KPC-2 complexed with compound 6 | Descriptor: | Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, [(5,7-dimethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid | Authors: | Pemberton, O.A, Chen, Y. | Deposit date: | 2018-04-11 | Release date: | 2019-04-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases. J.Med.Chem., 62, 2019
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7FJP
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![BU of 7fjp by Molmil](/molmil-images/mine/7fjp) | Cryo EM structure of lysosomal ATPase | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Zhang, S.S. | Deposit date: | 2021-08-04 | Release date: | 2023-03-08 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Cryo-EM structures and transport mechanism of human P5B type ATPase ATP13A2. Cell Discov, 7, 2021
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5KYO
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![BU of 5kyo by Molmil](/molmil-images/mine/5kyo) | Crystal Structure of CYP101J2 | Descriptor: | CYP101J2, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Unterweger, B, Drinkwater, N, Dumsday, G.J, McGowan, S. | Deposit date: | 2016-07-22 | Release date: | 2017-01-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-ray crystal structure of cytochrome P450 monooxygenase CYP101J2 from Sphingobium yanoikuyae strain B2. Proteins, 85, 2017
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6DD1
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![BU of 6dd1 by Molmil](/molmil-images/mine/6dd1) | |
6QLY
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![BU of 6qly by Molmil](/molmil-images/mine/6qly) | IDOL FERM domain | Descriptor: | 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase MYLIP, SULFATE ION | Authors: | Martinelli, L, Sixma, T.K. | Deposit date: | 2019-02-01 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural analysis of the LDL receptor-interacting FERM domain in the E3 ubiquitin ligase IDOL reveals an obscured substrate-binding site. J.Biol.Chem., 295, 2020
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7FJQ
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![BU of 7fjq by Molmil](/molmil-images/mine/7fjq) | Cryo EM structure of lysosomal ATPase | Descriptor: | Polyamine-transporting ATPase 13A2, SPERMINE | Authors: | Zhang, S.S. | Deposit date: | 2021-08-04 | Release date: | 2023-03-08 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Cryo-EM structures and transport mechanism of human P5B type ATPase ATP13A2. Cell Discov, 7, 2021
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6DD0
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![BU of 6dd0 by Molmil](/molmil-images/mine/6dd0) | Crystal structure of VIM-2 complexed with compound 8 | Descriptor: | ACETATE ION, Beta-lactamase class B VIM-2, ZINC ION, ... | Authors: | Pemberton, O.A, Chen, Y. | Deposit date: | 2018-05-08 | Release date: | 2019-05-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases. J.Med.Chem., 62, 2019
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6QRN
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![BU of 6qrn by Molmil](/molmil-images/mine/6qrn) | Galectin-10 complexed with ribose | Descriptor: | Galectin-10, beta-D-ribopyranose | Authors: | Verstraete, K, Verschueren, K.H.G. | Deposit date: | 2019-02-19 | Release date: | 2019-06-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Protein crystallization promotes type 2 immunity and is reversible by antibody treatment. Science, 364, 2019
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6DUG
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![BU of 6dug by Molmil](/molmil-images/mine/6dug) | Crystal structure of HIV-1 reverse transcriptase K101P mutant in complex with non-nucleoside inhibitor 25a | Descriptor: | 1,2-ETHANEDIOL, 4-({4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]piperidin-1-yl}methyl)benzene-1-sulfonamide, DIMETHYL SULFOXIDE, ... | Authors: | Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A. | Deposit date: | 2018-06-20 | Release date: | 2018-08-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.225 Å) | Cite: | Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors. Elife, 7, 2018
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5APK
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![BU of 5apk by Molmil](/molmil-images/mine/5apk) | Ligand complex of RORg LBD | Descriptor: | 2-CHLORO-6-FLUORO-N-[4-[3-(TRIFLUOROMETHYL)PHENYL]SULFONYL-3,5-DIHYDRO-2H-1,4-BENZOXAZEPIN-7-YL]BENZAMIDE, NUCLEAR RECEPTOR ROR-GAMMA | Authors: | Xue, Y, Aagaard, A, Narjes, F. | Deposit date: | 2015-09-16 | Release date: | 2015-11-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Benzoxazepines Achieve Potent Suppression of IL-17 Release in Human T-Helper 17 (TH 17) Cells through an Induced-Fit Binding Mode to the Nuclear Receptor ROR gamma. ChemMedChem, 11, 2016
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7YI3
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![BU of 7yi3 by Molmil](/molmil-images/mine/7yi3) | Cryo-EM structure of Rpd3S in close-state Rpd3S-NCP complex | Descriptor: | Chromatin modification-related protein EAF3, Histone deacetylase RPD3, Transcriptional regulatory protein RCO1, ... | Authors: | Li, H.T, Yan, C.Y, Guan, H.P, Wang, P. | Deposit date: | 2022-07-14 | Release date: | 2023-06-14 | Last modified: | 2023-08-30 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Diverse modes of H3K36me3-guided nucleosomal deacetylation by Rpd3S. Nature, 620, 2023
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7YI2
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![BU of 7yi2 by Molmil](/molmil-images/mine/7yi2) | Cryo-EM structure of Rpd3S in loose-state Rpd3S-NCP complex | Descriptor: | Chromatin modification-related protein EAF3, Histone deacetylase RPD3, Transcriptional regulatory protein RCO1, ... | Authors: | Li, H.T, Yan, C.Y, Guan, H.P, Wang, P. | Deposit date: | 2022-07-14 | Release date: | 2023-06-14 | Last modified: | 2023-08-30 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Diverse modes of H3K36me3-guided nucleosomal deacetylation by Rpd3S. Nature, 620, 2023
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7YI1
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![BU of 7yi1 by Molmil](/molmil-images/mine/7yi1) | Cryo-EM structure of Eaf3 CHD bound to H3K36me3 nucleosome | Descriptor: | Chromatin modification-related protein EAF3, Histone H2A, Histone H2B 1.1, ... | Authors: | Li, H.T, Yan, C.Y, Guan, H.P, Wang, P. | Deposit date: | 2022-07-14 | Release date: | 2023-06-14 | Last modified: | 2023-08-30 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Diverse modes of H3K36me3-guided nucleosomal deacetylation by Rpd3S. Nature, 620, 2023
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7YI0
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![BU of 7yi0 by Molmil](/molmil-images/mine/7yi0) | Cryo-EM structure of Rpd3S complex | Descriptor: | Chromatin modification-related protein EAF3, Histone deacetylase RPD3, Transcriptional regulatory protein RCO1, ... | Authors: | Li, H.T, Yan, C.Y, Guan, H.P, Wang, P. | Deposit date: | 2022-07-14 | Release date: | 2023-06-14 | Last modified: | 2023-08-30 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Diverse modes of H3K36me3-guided nucleosomal deacetylation by Rpd3S. Nature, 620, 2023
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7V5G
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![BU of 7v5g by Molmil](/molmil-images/mine/7v5g) | 20S+monoUb-CyclinB1-NT (S1) | Descriptor: | Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ... | Authors: | Xu, C, Cong, Y. | Deposit date: | 2021-08-17 | Release date: | 2021-09-22 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (4.47 Å) | Cite: | The 20S as a stand-alone proteasome in cells can degrade the ubiquitin tag. Nat Commun, 12, 2021
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7V5M
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![BU of 7v5m by Molmil](/molmil-images/mine/7v5m) | 20S+monoUb-CyclinB1-NT (S2) | Descriptor: | Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ... | Authors: | Xu, C, Cong, Y. | Deposit date: | 2021-08-17 | Release date: | 2021-09-22 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.88 Å) | Cite: | The 20S as a stand-alone proteasome in cells can degrade the ubiquitin tag. Nat Commun, 12, 2021
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7YI5
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![BU of 7yi5 by Molmil](/molmil-images/mine/7yi5) | Cryo-EM structure of Rpd3S complex bound to H3K36me3 nucleosome in loose state | Descriptor: | Chromatin modification-related protein EAF3, Histone H2A, Histone H2B 1.1, ... | Authors: | Li, H.T, Yan, C.Y, Guan, H.P, Wang, P. | Deposit date: | 2022-07-14 | Release date: | 2023-06-14 | Last modified: | 2023-08-30 | Method: | ELECTRON MICROSCOPY (3.96 Å) | Cite: | Diverse modes of H3K36me3-guided nucleosomal deacetylation by Rpd3S. Nature, 620, 2023
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7YI4
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![BU of 7yi4 by Molmil](/molmil-images/mine/7yi4) | Cryo-EM structure of Rpd3S complex bound to H3K36me3 nucleosome in close state | Descriptor: | Chromatin modification-related protein EAF3, Histone H2A, Histone H2B 1.1, ... | Authors: | Li, H.T, Yan, C.Y, Guan, H.P, Wang, P. | Deposit date: | 2022-07-14 | Release date: | 2023-06-14 | Last modified: | 2023-08-30 | Method: | ELECTRON MICROSCOPY (3.96 Å) | Cite: | Diverse modes of H3K36me3-guided nucleosomal deacetylation by Rpd3S. Nature, 620, 2023
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6L6V
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![BU of 6l6v by Molmil](/molmil-images/mine/6l6v) | SPO1 Gp44 N-terminal region (1-55) | Descriptor: | E3 protein | Authors: | Liu, B, Wang, Z. | Deposit date: | 2019-10-29 | Release date: | 2021-05-05 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | A Bacteriophage DNA Mimic Protein Employs a Non-specific Strategy to Inhibit the Bacterial RNA Polymerase. Front Microbiol, 12, 2021
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6D1A
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![BU of 6d1a by Molmil](/molmil-images/mine/6d1a) | Crystal structure of NDM-1 complexed with compound 1 | Descriptor: | ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ... | Authors: | Pemberton, O.A, Chen, Y. | Deposit date: | 2018-04-11 | Release date: | 2019-04-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases. J.Med.Chem., 62, 2019
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6D19
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![BU of 6d19 by Molmil](/molmil-images/mine/6d19) | Crystal structure of KPC-2 complexed with compound 9 | Descriptor: | Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, [(5-bromo-7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid | Authors: | Pemberton, O.A, Chen, Y. | Deposit date: | 2018-04-11 | Release date: | 2019-04-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases. J.Med.Chem., 62, 2019
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7V8Y
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![BU of 7v8y by Molmil](/molmil-images/mine/7v8y) | Crystal structure of mouse CRY2 in complex with SHP1703 compound | Descriptor: | 1-[(2R)-3-[3,6-bis(fluoranyl)carbazol-9-yl]-2-oxidanyl-propyl]imidazolidin-2-one, Cryptochrome-2 | Authors: | Miller, S.A, Hirota, T. | Deposit date: | 2021-08-23 | Release date: | 2022-08-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | CRY2 isoform selectivity of a circadian clock modulator with antiglioblastoma efficacy. Proc.Natl.Acad.Sci.USA, 119, 2022
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