7UDQ
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![BU of 7udq by Molmil](/molmil-images/mine/7udq) | Crystal structure of COQ8A-CA157 inhibitor complex in space group P1 | Descriptor: | 4-[(3,4,5-trimethoxyphenyl)amino]quinoline-7-carbonitrile, Atypical kinase COQ8A, mitochondrial, ... | Authors: | Bingman, C.A, Murray, N, Smith, R.W, Pagliarini, D.J. | Deposit date: | 2022-03-20 | Release date: | 2023-01-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Small-molecule inhibition of the archetypal UbiB protein COQ8. Nat.Chem.Biol., 19, 2023
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7UCC
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![BU of 7ucc by Molmil](/molmil-images/mine/7ucc) | Transcription factor FosB/JunD bZIP domain in the reduced form | Descriptor: | CHLORIDE ION, ETHANOL, Protein fosB, ... | Authors: | Kumar, A, Machius, M.C, Rudenko, G. | Deposit date: | 2022-03-16 | Release date: | 2023-01-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Chemically targeting the redox switch in AP1 transcription factor Delta FOSB. Nucleic Acids Res., 50, 2022
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7R1G
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![BU of 7r1g by Molmil](/molmil-images/mine/7r1g) | Structure of E.coli Class 2 L-asparaginase EcAIII, mutant RDM1-38 (R207C, D210S, S211V) | Descriptor: | Beta-aspartyl-peptidase, Isoaspartyl peptidase, SODIUM ION | Authors: | Loch, J.I, Kadziolka, K, Jaskolski, M. | Deposit date: | 2022-02-02 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural and biophysical studies of new L-asparaginase variants: lessons from random mutagenesis of the prototypic Escherichia coli Ntn-amidohydrolase. Acta Crystallogr D Struct Biol, 78, 2022
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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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7RJ9
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7UC8
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![BU of 7uc8 by Molmil](/molmil-images/mine/7uc8) | Pfs230 D1 domain in complex with 230AS-73 | Descriptor: | 230AS-73, Gametocyte surface protein P230, SODIUM ION | Authors: | Tang, W.K, Tolia, N.H. | Deposit date: | 2022-03-16 | Release date: | 2023-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A human antibody epitope map of Pfs230D1 derived from analysis of individuals vaccinated with a malaria transmission-blocking vaccine. Immunity, 56, 2023
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7RJR
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![BU of 7rjr by Molmil](/molmil-images/mine/7rjr) | Crystal structure of human Bromodomain containing protein 4 (BRD4) in complex with BCLTF1 | Descriptor: | 1,2-ETHANEDIOL, Bcl-2-associated transcription factor 1, Bromodomain-containing protein 4, ... | Authors: | Fedorov, E, Islam, K, Ghosh, A. | Deposit date: | 2021-07-21 | Release date: | 2022-08-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Uncovering the Bromodomain Interactome using Site-Specific Azide-Acetyllysine Photochemistry, Proteomic Profiling and Structural Characterization To Be Published
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7RJO
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![BU of 7rjo by Molmil](/molmil-images/mine/7rjo) | Crystal structure of human Bromodomain containing protein 4 (BRD4) in complex with hnRNPK | Descriptor: | ACETATE ION, Bromodomain-containing protein 4, GLYCEROL, ... | Authors: | Fedorov, E, Islam, K, Ghosh, A. | Deposit date: | 2021-07-21 | Release date: | 2022-08-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Uncovering the Bromodomain Interactome using Site-Specific Azide-Acetyllysine Photochemistry, Proteomic Profiling and Structural Characterization Biorxiv, 2021
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7RJQ
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![BU of 7rjq by Molmil](/molmil-images/mine/7rjq) | Crystal structure of human Bromodomain containing protein 4 (BRD4) in complex with ILF3 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, CHLORIDE ION, ... | Authors: | Fedorov, E, Islam, K, Ghosh, A. | Deposit date: | 2021-07-21 | Release date: | 2022-08-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Uncovering the Bromodomain Interactome using Site-Specific Azide-Acetyllysine Photochemistry, Proteomic Profiling and Structural Characterization To Be Published
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7ROF
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7RNQ
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8U2Q
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![BU of 8u2q by Molmil](/molmil-images/mine/8u2q) | |
1D3T
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![BU of 1d3t by Molmil](/molmil-images/mine/1d3t) | |
7RJP
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![BU of 7rjp by Molmil](/molmil-images/mine/7rjp) | Crystal structure of human Bromodomain containing protein 4 (BRD4) in complex with SHMT | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, CHLORIDE ION, ... | Authors: | Fedorov, E, Islam, K, Ghosh, A. | Deposit date: | 2021-07-21 | Release date: | 2022-08-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Uncovering the Bromodomain Interactome using Site-Specific Azide-Acetyllysine Photochemistry, Proteomic Profiling and Structural Characterization To Be Published
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7UVS
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![BU of 7uvs by Molmil](/molmil-images/mine/7uvs) | Pfs230 domain 1 bound by LMIV230-02 Fab | Descriptor: | Gametocyte surface protein P230, LMIV230-02 Fab heavy chain, LMIV230-02 Fab light chain, ... | Authors: | Ivanochko, D, Julien, J.P. | Deposit date: | 2022-05-02 | Release date: | 2023-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Potent transmission-blocking monoclonal antibodies from naturally exposed individuals target a conserved epitope on Plasmodium falciparum Pfs230. Immunity, 56, 2023
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8U90
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7TO5
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![BU of 7to5 by Molmil](/molmil-images/mine/7to5) | HIV-1 wild type protease with GRL-05816A, with C-4 substituted cyclohexane-fused bis-tetrahydrofuran (Chf-THF) derivatives as P2-ligand [diastereomer 1] | Descriptor: | (1R,3aS,4S,6S,7aR)-octahydro-1,6-epoxy-2-benzofuran-4-yl [(2S,3R)-4-{[2-(cyclopropylamino)-1,3-benzothiazole-6-sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, FORMIC ACID, ... | Authors: | Wang, Y.-F, Agniswamy, J, Ghosh, A.K, Weber, I.T. | Deposit date: | 2022-01-23 | Release date: | 2022-03-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Design, Synthesis and X-Ray Structural Studies of Potent HIV-1 Protease Inhibitors Containing C-4 Substituted Tricyclic Hexahydro-Furofuran Derivatives as P2 Ligands. Chemmedchem, 17, 2022
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7TO6
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![BU of 7to6 by Molmil](/molmil-images/mine/7to6) | HIV-1 wild type protease with GRL-01717A, with C-4 substituted cyclohexane-fused bis-tetrahydrofuran (Chf-THF) derivatives as P2-ligand [diastereomer 2] | Descriptor: | (1S,3aR,4R,6R,7aS)-octahydro-1,6-epoxy-2-benzofuran-4-yl [(2S,3R)-4-{[2-(cyclopropylamino)-1,3-benzothiazole-6-sulfonyl](2-methylpropyl)amino}-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate, ACETATE ION, CHLORIDE ION, ... | Authors: | Wang, Y.-F, Agniswamy, J, Ghosh, A.K, Weber, I.T. | Deposit date: | 2022-01-23 | Release date: | 2022-03-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Design, Synthesis and X-Ray Structural Studies of Potent HIV-1 Protease Inhibitors Containing C-4 Substituted Tricyclic Hexahydro-Furofuran Derivatives as P2 Ligands. Chemmedchem, 17, 2022
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7TXS
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![BU of 7txs by Molmil](/molmil-images/mine/7txs) | X-ray structure of the VioB N-aetyltransferase from Acinetobacter baumannii in the presence of a reaction intermediate | Descriptor: | SODIUM ION, VioB, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methyl (3R)-4-({3-[(2-{[(1S)-1-{[(2R,3S,4S,5R,6R)-4,5-dihydroxy-6-{[(R)-hydroxy{[(R)-hydroxy{[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)oxolan-2-yl]methoxy}phosphoryl]oxy}phosphoryl]oxy}-2-methyloxan-3-yl]amino}ethyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate (non-preferred name) | Authors: | Herkert, N.R, Thoden, J.B, Holden, H.M. | Deposit date: | 2022-02-09 | Release date: | 2022-03-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Structure and function of an N-acetyltransferase from the human pathogen Acinetobacter baumannii isolate BAL_212. Proteins, 90, 2022
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8U8W
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7TXQ
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![BU of 7txq by Molmil](/molmil-images/mine/7txq) | x-ray structure of the VioB N-acetyltransferase from Acinetobacter baumannii in the present of TDP and Acetyl-CoenzymeA | Descriptor: | ACETYL COENZYME *A, SODIUM ION, THYMIDINE-5'-DIPHOSPHATE, ... | Authors: | Herkert, N.R, Thoden, J.B, Holden, H.M. | Deposit date: | 2022-02-09 | Release date: | 2022-03-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure and function of an N-acetyltransferase from the human pathogen Acinetobacter baumannii isolate BAL_212. Proteins, 90, 2022
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7TXP
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![BU of 7txp by Molmil](/molmil-images/mine/7txp) | X-ray structure of the VioB N-acetyltransferase from Acinetobacter baumannii in complex with TDP-4-amino-4,6-dideoxy-D-glucose | Descriptor: | SODIUM ION, VioB, dTDP-4-amino-4,6-dideoxyglucose | Authors: | Herkert, N.R, Thoden, J.B, Holden, H.M. | Deposit date: | 2022-02-09 | Release date: | 2022-03-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structure and function of an N-acetyltransferase from the human pathogen Acinetobacter baumannii isolate BAL_212. Proteins, 90, 2022
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8RPM
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7RIZ
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![BU of 7riz by Molmil](/molmil-images/mine/7riz) | Crystal structure of RPA3624, a beta-propeller lactonase from Rhodopseudomonas palustris, with active-site bound 2-hydroxyquinoline | Descriptor: | Beta-propeller lactonase, CALCIUM ION, QUINOLIN-2(1H)-ONE, ... | Authors: | Bingman, C.A, Hall, B.W, Smith, R.W, Fox, B.G, Donohue, T.J. | Deposit date: | 2021-07-20 | Release date: | 2023-01-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | A broad specificity beta-propeller enzyme from Rhodopseudomonas palustris that hydrolyzes many lactones including gamma-valerolactone. J.Biol.Chem., 299, 2022
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7RIS
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![BU of 7ris by Molmil](/molmil-images/mine/7ris) | Crystal structure of RPA3624, a beta-propeller lactonase from Rhodopseudomonas palustris, with active-site bound phosphate | Descriptor: | Beta-propeller lactonase, CALCIUM ION, PHOSPHATE ION, ... | Authors: | Bingman, C.A, Hall, B.W, Smith, R.W, Fox, B.G, Donohue, T.J. | Deposit date: | 2021-07-20 | Release date: | 2023-01-11 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | A broad specificity beta-propeller enzyme from Rhodopseudomonas palustris that hydrolyzes many lactones including gamma-valerolactone. J.Biol.Chem., 299, 2022
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