6X9N
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![BU of 6x9n by Molmil](/molmil-images/mine/6x9n) | Pseudomonas aeruginosa MurC with AZ5595 | Descriptor: | (2R)-2-({4-[(5-tert-butyl-1-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-2-phenylethan-1-ol, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Horanyi, P.S, Mayclin, S.J, Durand-Reville, T.F, Lorimer, D.D, Edwards, T.E, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2020-06-03 | Release date: | 2020-09-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Pseudomonas aeruginosa MurC with AZ5595 To Be Published
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1E79
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![BU of 1e79 by Molmil](/molmil-images/mine/1e79) | Bovine F1-ATPase inhibited by DCCD (dicyclohexylcarbodiimide) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP SYNTHASE ALPHA CHAIN HEART ISOFORM, ... | Authors: | Gibbons, C, Montgomery, M.G, Leslie, A.G.W, Walker, J.E. | Deposit date: | 2000-08-25 | Release date: | 2000-11-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The Structure of the Central Stalk in Bovine F(1)-ATPase at 2.4 A Resolution. Nat.Struct.Biol., 7, 2000
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8U17
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![BU of 8u17 by Molmil](/molmil-images/mine/8u17) | The ternary complex structure of DDB1-CRBN-SALL4(ZF1,2)-long bound to Pomalidomide | Descriptor: | DNA damage-binding protein 1, Protein cereblon, S-Pomalidomide, ... | Authors: | Clifton, M.C, Ma, X, Ornelas, E. | Deposit date: | 2023-08-30 | Release date: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural and biophysical comparisons of the pomalidomide- and CC-220-induced interactions of SALL4 with cereblon. Sci Rep, 13, 2023
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6XT7
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![BU of 6xt7 by Molmil](/molmil-images/mine/6xt7) | Tel25 Hybrid Four-quartet G-quadruplex with K+ | Descriptor: | DNA (25-MER), MAGNESIUM ION, POTASSIUM ION, ... | Authors: | Yatsunyk, L.A, McCarthy, S.E. | Deposit date: | 2020-07-17 | Release date: | 2020-12-30 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | The first crystal structures of hybrid and parallel four-tetrad intramolecular G-quadruplexes. Nucleic Acids Res., 50, 2022
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6XU1
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![BU of 6xu1 by Molmil](/molmil-images/mine/6xu1) | Crystal structure of tetrameric human H215A-SAMHD1 (residues 109-626) with GTP, dAMPNPP and Mg | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION, ... | Authors: | Morris, E.R, Kunzelmann, S, Caswell, S.J, Arnold, L.H, Purkiss, A.G, Kelly, G, Taylor, I.A. | Deposit date: | 2020-01-17 | Release date: | 2020-06-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of SAMHD1 inhibitor complexes reveal the mechanism of water-mediated dNTP hydrolysis. Nat Commun, 11, 2020
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8T2P
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![BU of 8t2p by Molmil](/molmil-images/mine/8t2p) | 5TU-t1 - heterodimeric triplet polymerase ribozyme | Descriptor: | RNA (135-MER), RNA (152-MER) | Authors: | McRae, E.K.S, Kristoffersen, E, Gallego, I, Hansen, K, Holliger, P, Andersen, E.S. | Deposit date: | 2023-06-06 | Release date: | 2024-01-24 | Method: | ELECTRON MICROSCOPY (5 Å) | Cite: | Cryo-EM structure and functional landscape of an RNA polymerase ribozyme. Proc.Natl.Acad.Sci.USA, 121, 2024
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6OZ9
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![BU of 6oz9 by Molmil](/molmil-images/mine/6oz9) | Ebola virus glycoprotein in complex with EBOV-520 Fab | Descriptor: | EBOV-520 Fab heavy chain, EBOV-520 Fab light chain, Envelope glycoprotein, ... | Authors: | Milligan, J.C, Altman, P.X, Hui, S, Hastie, K.M, Gilchuk, P, Crowe, J.E, Saphire, E.O. | Deposit date: | 2019-05-15 | Release date: | 2020-03-11 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.462 Å) | Cite: | Analysis of a Therapeutic Antibody Cocktail Reveals Determinants for Cooperative and Broad Ebolavirus Neutralization. Immunity, 52, 2020
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6XV4
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![BU of 6xv4 by Molmil](/molmil-images/mine/6xv4) | Neutron structure of ferric ascorbate peroxidase-ascorbate complex | Descriptor: | ASCORBIC ACID, Ascorbate peroxidase, POTASSIUM ION, ... | Authors: | Kwon, H, Basran, J, Devos, J.M, Schrader, T.E, Ostermann, A, Blakeley, M.P, Raven, E.L, Moody, P.C.E. | Deposit date: | 2020-01-21 | Release date: | 2020-03-18 | Last modified: | 2024-05-01 | Method: | NEUTRON DIFFRACTION (1.9 Å), X-RAY DIFFRACTION | Cite: | Visualizing the protons in a metalloenzyme electron proton transfer pathway. Proc.Natl.Acad.Sci.USA, 117, 2020
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7NNF
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![BU of 7nnf by Molmil](/molmil-images/mine/7nnf) | Crystal structure of Mycobacterium tuberculosis ArgF in apo form. | Descriptor: | Ornithine carbamoyltransferase, PHOSPHATE ION | Authors: | Mendes, V, Gupta, P, Burgess, A, Sebastian-Perez, V, Cattermole, E, Meghir, C, Blundell, T.L. | Deposit date: | 2021-02-24 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis Comput Struct Biotechnol J, 19, 2021
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7NOU
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![BU of 7nou by Molmil](/molmil-images/mine/7nou) | Crystal structure of Mycobacterium tuberculosis ArgF in complex with (3,5-dichlorophenyl)boronic acid. | Descriptor: | Ornithine carbamoyltransferase, PHOSPHATE ION, [3,5-bis(chloranyl)phenyl]-oxidanyl-oxidanylidene-boron | Authors: | Mendes, V, Gupta, P, Burgess, A, Sebastian-Perez, V, Cattermole, E, Meghir, C, Blundell, T.L. | Deposit date: | 2021-02-25 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis Comput Struct Biotechnol J, 19, 2021
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7N6I
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![BU of 7n6i by Molmil](/molmil-images/mine/7n6i) | ATP-bound TnsC-TniQ complex from ShCAST system | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA (5'-D(P*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*A)-3'), DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), ... | Authors: | Park, J, Tsai, A.W.L, Mehrotra, E, Kellogg, E.H. | Deposit date: | 2021-06-08 | Release date: | 2021-07-28 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structural basis for target site selection in RNA-guided DNA transposition systems. Science, 373, 2021
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1F6C
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![BU of 1f6c by Molmil](/molmil-images/mine/1f6c) | |
1F6E
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![BU of 1f6e by Molmil](/molmil-images/mine/1f6e) | |
7PTF
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![BU of 7ptf by Molmil](/molmil-images/mine/7ptf) | Pseudomonas aeruginosa DNA gyrase B 24kDa ATPase subdomain complexed with novobiocin | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DNA gyrase subunit B, ... | Authors: | Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D. | Deposit date: | 2021-09-27 | Release date: | 2022-10-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa. J.Med.Chem., 66, 2023
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7PTG
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![BU of 7ptg by Molmil](/molmil-images/mine/7ptg) | Pseudomonas aeruginosa DNA gyrase B 24kDa ATPase subdomain complexed with EBL2888 | Descriptor: | 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1S)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B | Authors: | Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D. | Deposit date: | 2021-09-27 | Release date: | 2022-10-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa. J.Med.Chem., 66, 2023
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7Q15
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7PQI
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![BU of 7pqi by Molmil](/molmil-images/mine/7pqi) | Acinetobacter baumannii DNA gyrase B 23kDa ATPase subdomain complexed with novobiocin | Descriptor: | 1,2-ETHANEDIOL, DNA gyrase subunit B, NOVOBIOCIN | Authors: | Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D. | Deposit date: | 2021-09-17 | Release date: | 2022-09-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa. J.Med.Chem., 66, 2023
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7PQM
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![BU of 7pqm by Molmil](/molmil-images/mine/7pqm) | Acinetobacter baumannii DNA gyrase B 23kDa ATPase subdomain complexed with EBL2888 | Descriptor: | 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1S)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid, CALCIUM ION, DNA gyrase subunit B | Authors: | Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D. | Deposit date: | 2021-09-17 | Release date: | 2022-09-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa. J.Med.Chem., 66, 2023
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7PQL
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![BU of 7pql by Molmil](/molmil-images/mine/7pql) | Acinetobacter baumannii DNA gyrase B 23kDa ATPase subdomain complexed with EBL2704 | Descriptor: | 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1R)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid, 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1S)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B | Authors: | Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D. | Deposit date: | 2021-09-17 | Release date: | 2022-09-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa. J.Med.Chem., 66, 2023
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7AB4
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5MOI
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![BU of 5moi by Molmil](/molmil-images/mine/5moi) | Crystal structure of human IgE-Fc epsilon 3-4 | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Ig epsilon chain C region, ... | Authors: | Dore, K.A, Davies, A.M, Drinkwater, N, Beavil, A.J, McDonnell, J.M, Sutton, B.J. | Deposit date: | 2016-12-14 | Release date: | 2018-01-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Thermal sensitivity and flexibility of the C epsilon 3 domains in immunoglobulin E. Biochim. Biophys. Acta, 1865, 2017
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7Q44
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![BU of 7q44 by Molmil](/molmil-images/mine/7q44) | Crystal structure of RCC1-Like domain 2 of ubiquitin ligase HERC2 in complex with DXDKDED motif of deubiquitinase USP35 | Descriptor: | CITRIC ACID, Deubiquitinase USP35 peptide, E3 ubiquitin-protein ligase HERC2 | Authors: | Demenge, A, Howard, E, Cousido-Siah, A, Mitschler, A, Podjarny, A, McEwen, A.G, Trave, G. | Deposit date: | 2021-10-29 | Release date: | 2022-11-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.20007777 Å) | Cite: | Crystal structure of RCC1-Like domain 2 of ubiquitin ligase HERC2 in complex with DXDKDED motif of deubiquitinase USP35 To Be Published
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7PSC
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![BU of 7psc by Molmil](/molmil-images/mine/7psc) | Crystal structure of the disease-causing I358T mutant of the human dihydrolipoamide dehydrogenase | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dihydrolipoyl dehydrogenase, mitochondrial, ... | Authors: | Nemes-Nikodem, E, Szabo, E, Zambo, Z, Vass, K.R, Taberman, H, Torocsik, B, Weiss, M.S, Adam-Vizi, V, Ambrus, A. | Deposit date: | 2021-09-22 | Release date: | 2023-04-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.436 Å) | Cite: | Structural and Biochemical Investigation of Selected Pathogenic Mutants of the Human Dihydrolipoamide Dehydrogenase. Int J Mol Sci, 24, 2023
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8FE4
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![BU of 8fe4 by Molmil](/molmil-images/mine/8fe4) | Structure of dengue virus (DENV2) in complex with prM13, an anti-PrM monoclonal antibody | Descriptor: | Envelope protein E, prM protein, prM13 Fab Heavy Chain, ... | Authors: | Dowd, A.D, Sirohi, D, Speer, S, Mukherjee, S, Govero, J, Aleshnick, M, Larman, B, Sukupolvi-Petty, S, Sevvana, M, Miller, A.S, Klose, T, Zheng, A, Kielian, M, Kuhn, R.J, Diamond, M.S, Pierson, T.C. | Deposit date: | 2022-12-05 | Release date: | 2023-02-01 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (9.8 Å) | Cite: | prM-reactive antibodies reveal a role for partially mature virions in dengue virus pathogenesis. Proc.Natl.Acad.Sci.USA, 120, 2023
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8FE3
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![BU of 8fe3 by Molmil](/molmil-images/mine/8fe3) | Structure of dengue virus (DENV2) in complex with prM12, an anti-PrM monoclonal antibody | Descriptor: | Envelope protein E, prM protein, prM12 Fab Heavy Chain, ... | Authors: | Dowd, A.D, Sirohi, D, Speer, S, Mukherjee, S, Govero, J, Aleshnick, M, Larman, B, Sukupolvi-Petty, S, Sevvana, M, Miller, A.S, Klose, T, Zheng, A, Kielian, M, Kuhn, R.J, Diamond, M.S, Pierson, T.C. | Deposit date: | 2022-12-05 | Release date: | 2023-02-01 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (10.2 Å) | Cite: | prM-reactive antibodies reveal a role for partially mature virions in dengue virus pathogenesis. Proc.Natl.Acad.Sci.USA, 120, 2023
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