7TB7
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![BU of 7tb7 by Molmil](/molmil-images/mine/7tb7) | Crystal structure of D179N KPC-2 beta-lactamase | Descriptor: | CITRIC ACID, Carbapenem-hydrolyzing beta-lactamase KPC | Authors: | van den Akker, F, Alsenani, T. | Deposit date: | 2021-12-21 | Release date: | 2022-03-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (0.99 Å) | Cite: | Structural Characterization of the D179N and D179Y Variants of KPC-2 beta-Lactamase: Omega-Loop Destabilization as a Mechanism of Resistance to Ceftazidime-Avibactam. Antimicrob.Agents Chemother., 66, 2022
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7TBX
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![BU of 7tbx by Molmil](/molmil-images/mine/7tbx) | Crystal structure of D179Y KPC-2 beta-lactamase | Descriptor: | Carbapenem-hydrolyzing beta-lactamase KPC | Authors: | van den Akker, F, Alsenani, T. | Deposit date: | 2021-12-22 | Release date: | 2022-03-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.16 Å) | Cite: | Structural Characterization of the D179N and D179Y Variants of KPC-2 beta-Lactamase: Omega-Loop Destabilization as a Mechanism of Resistance to Ceftazidime-Avibactam. Antimicrob.Agents Chemother., 66, 2022
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7TC1
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![BU of 7tc1 by Molmil](/molmil-images/mine/7tc1) | |
6SWQ
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![BU of 6swq by Molmil](/molmil-images/mine/6swq) | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH iBET-BD2 (GSK046) | Descriptor: | 1,2-ETHANEDIOL, 4-acetamido-3-fluoranyl-~{N}-(4-oxidanylcyclohexyl)-5-[(1~{S})-1-phenylethoxy]benzamide, Bromodomain-containing protein 4 | Authors: | Chung, C. | Deposit date: | 2019-09-22 | Release date: | 2020-04-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.601 Å) | Cite: | Selective targeting of BD1 and BD2 of the BET proteins in cancer and immunoinflammation. Science, 368, 2020
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6SWP
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![BU of 6swp by Molmil](/molmil-images/mine/6swp) | C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH iBET-BD2 (GSK046) | Descriptor: | 1,2-ETHANEDIOL, 4-acetamido-3-fluoranyl-~{N}-(4-oxidanylcyclohexyl)-5-[(1~{S})-1-phenylethoxy]benzamide, Bromodomain-containing protein 2 | Authors: | Chung, C. | Deposit date: | 2019-09-22 | Release date: | 2020-04-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.604 Å) | Cite: | Selective targeting of BD1 and BD2 of the BET proteins in cancer and immunoinflammation. Science, 368, 2020
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7USG
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![BU of 7usg by Molmil](/molmil-images/mine/7usg) | BRD2-BD2 in complex with MDP5 | Descriptor: | (8M)-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(morpholin-4-yl)-4H-1-benzopyran-4-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 2, ... | Authors: | Jayasinghe, T.D, Ronning, D.R. | Deposit date: | 2022-04-25 | Release date: | 2023-01-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Targeting BRD4 and PI3K signaling pathways for the treatment of medulloblastoma. J Control Release, 354, 2023
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7USI
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![BU of 7usi by Molmil](/molmil-images/mine/7usi) | BRD2-BD1 in complex with MDP5 | Descriptor: | (8M)-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(morpholin-4-yl)-4H-1-benzopyran-4-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 2, ... | Authors: | Jayasinghe, T.D, Ronning, D.R. | Deposit date: | 2022-04-25 | Release date: | 2023-01-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Targeting BRD4 and PI3K signaling pathways for the treatment of medulloblastoma. J Control Release, 354, 2023
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7USH
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![BU of 7ush by Molmil](/molmil-images/mine/7ush) | BRD2-BD2 in complex with SF2523 | Descriptor: | 1,2-ETHANEDIOL, 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(morpholin-4-yl)-7H-thieno[3,2-b]pyran-7-one, Bromodomain-containing protein 2 | Authors: | Jayasinghe, T.D, Ronning, D.R. | Deposit date: | 2022-04-25 | Release date: | 2023-01-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Targeting BRD4 and PI3K signaling pathways for the treatment of medulloblastoma. J Control Release, 354, 2023
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6SWO
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![BU of 6swo by Molmil](/molmil-images/mine/6swo) | C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH iBET-BD1 (GSK778) | Descriptor: | 1,2-ETHANEDIOL, 4-[2-(methoxymethyl)-1-[(1~{R})-1-phenylethyl]-8-[[(3~{S})-pyrrolidin-3-yl]methoxy]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole, Bromodomain-containing protein 2 | Authors: | Chung, C. | Deposit date: | 2019-09-22 | Release date: | 2020-04-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.601 Å) | Cite: | Selective targeting of BD1 and BD2 of the BET proteins in cancer and immunoinflammation. Science, 368, 2020
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7USJ
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![BU of 7usj by Molmil](/molmil-images/mine/7usj) | BRD4-BD2 in complex with SF2523 | Descriptor: | 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(morpholin-4-yl)-7H-thieno[3,2-b]pyran-7-one, Bromodomain-containing protein 4 | Authors: | Jayasinghe, T.D, Ronning, D.R. | Deposit date: | 2022-04-25 | Release date: | 2023-01-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Targeting BRD4 and PI3K signaling pathways for the treatment of medulloblastoma. J Control Release, 354, 2023
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7USK
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![BU of 7usk by Molmil](/molmil-images/mine/7usk) | BRD4-BD2 Ligand free | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE | Authors: | Jayasinghe, T.D, Ronning, D.R. | Deposit date: | 2022-04-25 | Release date: | 2023-01-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Targeting BRD4 and PI3K signaling pathways for the treatment of medulloblastoma. J Control Release, 354, 2023
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7LLB
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![BU of 7llb by Molmil](/molmil-images/mine/7llb) | Crystal structure of KPC-2 S70G/T215P mutant with hydrolyzed meropenem | Descriptor: | (2S,3R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfan yl-3-methyl-2,3-dihydro-1H-pyrrole-5-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC | Authors: | Furey, I, Palzkill, T, Sankaran, B, Hu, L, Prasad, B.V.V. | Deposit date: | 2021-02-03 | Release date: | 2021-05-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Local interactions with the Glu166 base and the conformation of an active site loop play key roles in carbapenem hydrolysis by the KPC-2 beta-lactamase. J.Biol.Chem., 296, 2021
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7LJK
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![BU of 7ljk by Molmil](/molmil-images/mine/7ljk) | Crystal structure of the deacylation deficient KPC-2 F72Y mutant | Descriptor: | Beta-lactamase | Authors: | Furey, I, Palzkill, T, Sankaran, B, Hu, L, Prasad, B.V.V. | Deposit date: | 2021-01-29 | Release date: | 2021-05-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Local interactions with the Glu166 base and the conformation of an active site loop play key roles in carbapenem hydrolysis by the KPC-2 beta-lactamase. J.Biol.Chem., 296, 2021
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7LLH
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![BU of 7llh by Molmil](/molmil-images/mine/7llh) | KPC-2 F72Y mutant with acylated imipenem | Descriptor: | (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, Carbapenem-hydrolyzing beta-lactamase KPC | Authors: | Furey, I, Palzkill, T, Sankaran, B, Hu, L, Prasad, B.V.V. | Deposit date: | 2021-02-03 | Release date: | 2021-05-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Local interactions with the Glu166 base and the conformation of an active site loop play key roles in carbapenem hydrolysis by the KPC-2 beta-lactamase. J.Biol.Chem., 296, 2021
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6SWN
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![BU of 6swn by Molmil](/molmil-images/mine/6swn) | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH iBET-BD1 (GSK778) | Descriptor: | 1,2-ETHANEDIOL, 4-[2-(methoxymethyl)-1-[(1~{R})-1-phenylethyl]-8-[[(3~{S})-pyrrolidin-3-yl]methoxy]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole, Bromodomain-containing protein 4, ... | Authors: | Chung, C. | Deposit date: | 2019-09-22 | Release date: | 2020-04-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Selective targeting of BD1 and BD2 of the BET proteins in cancer and immunoinflammation. Science, 368, 2020
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2PTV
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![BU of 2ptv by Molmil](/molmil-images/mine/2ptv) | Structure of NK cell receptor ligand CD48 | Descriptor: | CD48 antigen | Authors: | Deng, L, Velikovsky, C.A, Mariuzza, R.A. | Deposit date: | 2007-05-08 | Release date: | 2007-11-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Structure of natural killer receptor 2B4 bound to CD48 reveals basis for heterophilic recognition in signaling lymphocyte activation molecule family. Immunity, 27, 2007
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1AZM
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![BU of 1azm by Molmil](/molmil-images/mine/1azm) | |
3S2V
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![BU of 3s2v by Molmil](/molmil-images/mine/3s2v) | Crystal Structure of the Ligand Binding Domain of GluK1 in Complex with an Antagonist (S)-1-(2'-Amino-2'-carboxyethyl)-3-[(2-carboxythien-3-yl)methyl]thieno[3,4-d]pyrimidin-2,4-dione at 2.5 A Resolution | Descriptor: | (S)-1-(2'-AMINO-2'-CARBOXYETHYL)-3-[(2-CARBOXYTHIEN-3-YL)METHYL]THIENO[3,4-D]PYRIMIDIN-2,4-DIONE, CHLORIDE ION, GLYCEROL, ... | Authors: | Venskutonyte, R, Frydenvang, K, Kastrup, J.S. | Deposit date: | 2011-05-17 | Release date: | 2011-06-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Selective kainate receptor (GluK1) ligands structurally based upon 1H-cyclopentapyrimidin-2,4(1H,3H)-dione: synthesis, molecular modeling, and pharmacological and biostructural characterization. J.Med.Chem., 54, 2011
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5VCL
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![BU of 5vcl by Molmil](/molmil-images/mine/5vcl) | Structure of the Qdm peptide bound to Qa-1a | Descriptor: | Beta-2-microglobulin, GLYCEROL, H2-T23 protein, ... | Authors: | Ying, G, Zajonc, D.M. | Deposit date: | 2017-03-31 | Release date: | 2017-10-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structure of Qa-1a with bound Qa-1 determinant modifier peptide. PLoS ONE, 12, 2017
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3V7T
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![BU of 3v7t by Molmil](/molmil-images/mine/3v7t) | |
6JXU
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![BU of 6jxu by Molmil](/molmil-images/mine/6jxu) | SUMO1 bound to SLS4-SIM peptide from ICP0 | Descriptor: | Small ubiquitin-related modifier, viral protein | Authors: | Hembram, D.S.S, Negi, H, Shet, D, Das, R. | Deposit date: | 2019-04-25 | Release date: | 2020-02-05 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | The Viral SUMO-Targeted Ubiquitin Ligase ICP0 is Phosphorylated and Activated by Host Kinase Chk2. J.Mol.Biol., 432, 2020
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6JXV
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![BU of 6jxv by Molmil](/molmil-images/mine/6jxv) | SUMO1 bound to phosphorylated SLS4-SIM peptide from ICP0 | Descriptor: | Phosphorylated SLS4-SIM from ubiquitin E3 ligase ICP0, Small ubiquitin-related modifier | Authors: | Hembram, D.S.S, Negi, H, Shet, D, Das, R. | Deposit date: | 2019-04-25 | Release date: | 2020-02-05 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | The Viral SUMO-Targeted Ubiquitin Ligase ICP0 is Phosphorylated and Activated by Host Kinase Chk2. J.Mol.Biol., 432, 2020
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6JXW
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![BU of 6jxw by Molmil](/molmil-images/mine/6jxw) | Complex of SUMO2 bound SLS4 from ICP0. | Descriptor: | SLS4-SIM from Ubiquitin E3 ligase ICP0, Small ubiquitin-related modifier 2 | Authors: | Hembram, D.S.S, Negi, H, Shet, D, Das, R. | Deposit date: | 2019-04-25 | Release date: | 2020-02-05 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | The Viral SUMO-Targeted Ubiquitin Ligase ICP0 is Phosphorylated and Activated by Host Kinase Chk2. J.Mol.Biol., 432, 2020
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6JXX
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![BU of 6jxx by Molmil](/molmil-images/mine/6jxx) | SUMO2 bound to phosphorylated SLS4-SIM peptide from ICP0 | Descriptor: | Phosphorylated SLS4 from E3 ubiquitin ligase ICP0, Small ubiquitin-related modifier 2 | Authors: | Hembram, D.S.S, Negi, H, Shet, D, Das, R. | Deposit date: | 2019-04-25 | Release date: | 2020-02-05 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | The Viral SUMO-Targeted Ubiquitin Ligase ICP0 is Phosphorylated and Activated by Host Kinase Chk2. J.Mol.Biol., 432, 2020
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3B7M
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![BU of 3b7m by Molmil](/molmil-images/mine/3b7m) | |