5AVA
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7RXS
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![BU of 7rxs by Molmil](/molmil-images/mine/7rxs) | Crystal of BRD4(D1) with 2-[(3S)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1H-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine | Descriptor: | 1,2-ETHANEDIOL, 2-[(3S)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1H-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine, Bromodomain-containing protein 4 | Authors: | Cui, H, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K. | Deposit date: | 2021-08-23 | Release date: | 2022-01-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | A Structure-based Design Approach for Generating High Affinity BRD4 D1-Selective Chemical Probes. J.Med.Chem., 65, 2022
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7RXT
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![BU of 7rxt by Molmil](/molmil-images/mine/7rxt) | Crystal of BRD4(D1) with 2-[(3R)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1H-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine | Descriptor: | 2-[(3R)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1H-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine, Bromodomain-containing protein 4 | Authors: | Cui, H, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K. | Deposit date: | 2021-08-23 | Release date: | 2022-01-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | A Structure-based Design Approach for Generating High Affinity BRD4 D1-Selective Chemical Probes. J.Med.Chem., 65, 2022
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7RXR
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![BU of 7rxr by Molmil](/molmil-images/mine/7rxr) | Crystal Structure of BRD4(D1) with 4-[4-(4-bromophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine | Descriptor: | 1,2-ETHANEDIOL, 4-[4-(4-bromophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine, Bromodomain-containing protein 4 | Authors: | Cui, H, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K. | Deposit date: | 2021-08-23 | Release date: | 2022-01-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | A Structure-based Design Approach for Generating High Affinity BRD4 D1-Selective Chemical Probes. J.Med.Chem., 65, 2022
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5B1X
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7SBN
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7SBM
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![BU of 7sbm by Molmil](/molmil-images/mine/7sbm) | Human glutaminase C (Y466W) with L-Gln, open conformation | Descriptor: | GLUTAMINE, Isoform 3 of Glutaminase kidney isoform, mitochondrial | Authors: | Nguyen, T.-T.T, Cerione, R.A. | Deposit date: | 2021-09-25 | Release date: | 2022-02-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | High-resolution structures of mitochondrial glutaminase C tetramers indicate conformational changes upon phosphate binding. J.Biol.Chem., 298, 2022
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5BNQ
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![BU of 5bnq by Molmil](/molmil-images/mine/5bnq) | Crystal structure of hRANKL-mRANK complex | Descriptor: | CHLORIDE ION, PHOSPHATE ION, SODIUM ION, ... | Authors: | Ren, J. | Deposit date: | 2015-05-26 | Release date: | 2015-10-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A RANKL mutant used as an inter-species vaccine for efficient immunotherapy of osteoporosis. Sci Rep, 5, 2015
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4TQ0
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![BU of 4tq0 by Molmil](/molmil-images/mine/4tq0) | Crystal structure of human ATG5-ATG16N69 | Descriptor: | Autophagy protein 5, Autophagy-related protein 16-1 | Authors: | Kim, J.H, Hong, S.B, Song, H.K. | Deposit date: | 2014-06-10 | Release date: | 2015-03-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.697 Å) | Cite: | Insights into autophagosome maturation revealed by the structures of ATG5 with its interacting partners Autophagy, 11, 2015
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4TQ1
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![BU of 4tq1 by Molmil](/molmil-images/mine/4tq1) | Crystal structure of human ATG5-TECAIR | Descriptor: | Autophagy protein 5, Tectonin beta-propeller repeat-containing protein 1 | Authors: | Kim, J.H, Hong, S.B, Song, H.K. | Deposit date: | 2014-06-10 | Release date: | 2015-03-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.802 Å) | Cite: | Insights into autophagosome maturation revealed by the structures of ATG5 with its interacting partners Autophagy, 11, 2015
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7DFG
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![BU of 7dfg by Molmil](/molmil-images/mine/7dfg) | Structure of COVID-19 RNA-dependent RNA polymerase bound to favipiravir | Descriptor: | 6-fluoro-3-oxo-4-(5-O-phosphono-beta-D-ribofuranosyl)-3,4-dihydropyrazine-2-carboxamide, MAGNESIUM ION, Non-structural protein 7, ... | Authors: | Li, Z, Zhou, Z, Yu, X. | Deposit date: | 2020-11-08 | Release date: | 2021-11-17 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structural basis for repurpose and design of nucleotide drugs for treating COVID-19 To Be Published
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7DFH
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7DMX
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7DNB
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![BU of 7dnb by Molmil](/molmil-images/mine/7dnb) | Crystal structure of PhoCl barrel | Descriptor: | PhoCl Barrel, SODIUM ION | Authors: | Wen, Y, Lemieux, J.M. | Deposit date: | 2020-12-09 | Release date: | 2021-01-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Photocleavable proteins that undergo fast and efficient dissociation. Chem Sci, 12, 2021
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7D4F
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![BU of 7d4f by Molmil](/molmil-images/mine/7d4f) | Structure of COVID-19 RNA-dependent RNA polymerase bound to suramin | Descriptor: | 8-(3-(3-aminobenzamido)-4-methylbenzamido)naphthalene-1,3,5-trisulfonic acid, Non-structural protein 7, Non-structural protein 8, ... | Authors: | Li, Z, Yin, W, Zhou, Z, Yu, X, Xu, H. | Deposit date: | 2020-09-23 | Release date: | 2020-11-11 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.57 Å) | Cite: | Structural basis for inhibition of the SARS-CoV-2 RNA polymerase by suramin. Nat.Struct.Mol.Biol., 28, 2021
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7DNA
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8IHT
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![BU of 8iht by Molmil](/molmil-images/mine/8iht) | Rpd3S bound to the nucleosome | Descriptor: | CALCIUM ION, Chromatin modification-related protein EAF3, DNA (164-MER), ... | Authors: | Zhang, Y, Gang, C. | Deposit date: | 2023-02-23 | Release date: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.72 Å) | Cite: | Structural basis for nucleosome binding and catalysis by the yeast Rpd3S/HDAC holoenzyme. Cell Res., 33, 2023
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8IHM
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![BU of 8ihm by Molmil](/molmil-images/mine/8ihm) | Eaf3 CHD domain bound to the nucleosome | Descriptor: | Chromatin modification-related protein EAF3, DNA (164-MER), DNA (165-MER), ... | Authors: | Zhang, Y, Gang, C. | Deposit date: | 2023-02-23 | Release date: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.58 Å) | Cite: | Structural basis for nucleosome binding and catalysis by the yeast Rpd3S/HDAC holoenzyme. Cell Res., 33, 2023
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8IHN
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![BU of 8ihn by Molmil](/molmil-images/mine/8ihn) | Cryo-EM structure of the Rpd3S core complex | Descriptor: | CALCIUM ION, Chromatin modification-related protein EAF3, Histone H3, ... | Authors: | Zhang, Y, Gang, C. | Deposit date: | 2023-02-23 | Release date: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.37 Å) | Cite: | Structural basis for nucleosome binding and catalysis by the yeast Rpd3S/HDAC holoenzyme. Cell Res., 33, 2023
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7ONS
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![BU of 7ons by Molmil](/molmil-images/mine/7ons) | PARP1 catalytic domain in complex with isoquinolone-based inhibitor (compound 16) | Descriptor: | 7-[[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]methyl]-3-ethyl-1~{H}-quinolin-2-one, Poly [ADP-ribose] polymerase 1, SULFATE ION | Authors: | Schimpl, M, Balazs, A, Barratt, D, Bista, M, Chuba, M, Degorce, S.L, Di Fruscia, P, Embrey, K, Ghosh, A, Gill, S, Gunnarsson, A, Hande, S, Hemsley, P, Heightman, T.D, Illuzzi, G, Lane, J, Larner, C, Leo, E, Madin, A, Martin, S, McWilliams, L, Orme, J, Pachl, F, Packer, M, Pike, A, Staniszewska, A.D, Talbot, V, Underwood, E, Varnes, G.J, Zhang, A, Zheng, X, Johannes, J.W. | Deposit date: | 2021-05-25 | Release date: | 2021-09-15 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Discovery of 5-{4-[(7-Ethyl-6-oxo-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl}- N -methylpyridine-2-carboxamide (AZD5305): A PARP1-DNA Trapper with High Selectivity for PARP1 over PARP2 and Other PARPs. J.Med.Chem., 64, 2021
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7ONT
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![BU of 7ont by Molmil](/molmil-images/mine/7ont) | PARP1 catalytic domain in complex with a selective pyridine carboxamide-based inhibitor (compound 22) | Descriptor: | 5-[4-[(3-ethyl-2-oxidanylidene-1~{H}-quinolin-7-yl)methyl]piperazin-1-yl]-~{N}-methyl-pyridine-2-carboxamide, Poly [ADP-ribose] polymerase 1, SULFATE ION | Authors: | Schimpl, M, Balazs, A, Barratt, D, Bista, M, Chuba, M, Degorce, S.L, Di Fruscia, P, Embrey, K, Ghosh, A, Gill, S, Gunnarsson, A, Hande, S, Hemsley, P, Heightman, T.D, Illuzzi, G, Lane, J, Larner, C, Leo, E, Madin, A, Martin, S, McWilliams, L, Orme, J, Pachl, F, Packer, M.J, Pike, A, Staniszewska, A.D, Talbot, V, Underwood, E, Varnes, G.J, Zhang, A, Zheng, X, Johannes, J.W. | Deposit date: | 2021-05-25 | Release date: | 2021-09-15 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.853 Å) | Cite: | Discovery of 5-{4-[(7-Ethyl-6-oxo-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl}- N -methylpyridine-2-carboxamide (AZD5305): A PARP1-DNA Trapper with High Selectivity for PARP1 over PARP2 and Other PARPs. J.Med.Chem., 64, 2021
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7ONR
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![BU of 7onr by Molmil](/molmil-images/mine/7onr) | PARP1 catalytic domain in complex with 8-chloroquinazolinone-based inhibitor (compound 9) | Descriptor: | 8-chloranyl-2-[3-[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]propyl]-3~{H}-quinazolin-4-one, Poly [ADP-ribose] polymerase 1, SULFATE ION | Authors: | Schimpl, M, Balazs, A, Barratt, D, Bista, M, Chuba, M, Degorce, S.L, Di Fruscia, P, Embrey, K, Ghosh, A, Gill, S, Gunnarsson, A, Hande, S, Hemsley, P, Illuzzi, G, Lane, J, Larner, C, Leo, E, Madin, A, Martin, S, McWilliams, L, Orme, J, Pachl, F, Packer, M, Pike, A, Staniszewska, A.D, Talbot, V, Underwood, E, Varnes, G.J, Zhang, A, Zheng, X, Johannes, J.W. | Deposit date: | 2021-05-25 | Release date: | 2021-09-15 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovery of 5-{4-[(7-Ethyl-6-oxo-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl}- N -methylpyridine-2-carboxamide (AZD5305): A PARP1-DNA Trapper with High Selectivity for PARP1 over PARP2 and Other PARPs. J.Med.Chem., 64, 2021
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8JMV
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8JMW
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![BU of 8jmw by Molmil](/molmil-images/mine/8jmw) | Fibril form of serine peptidase Vpr | Descriptor: | S8 family serine peptidase | Authors: | Cao, Q, Cheng, Y. | Deposit date: | 2023-06-05 | Release date: | 2023-12-06 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Serine peptidase Vpr forms enzymatically active fibrils outside Bacillus bacteria revealed by cryo-EM. Nat Commun, 14, 2023
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8XOK
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![BU of 8xok by Molmil](/molmil-images/mine/8xok) | Cryo-EM structure of human ABCC4 | Descriptor: | 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, ATP-binding cassette sub-family C member 4, PALMITIC ACID | Authors: | Zhang, P.F, Liu, Z. | Deposit date: | 2024-01-01 | Release date: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.84 Å) | Cite: | The ATP-bound inward-open conformation of ABCC4 reveals asymmetric ATP binding for substrate transport. Febs Lett., 2024
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