5MIY
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![BU of 5miy by Molmil](/molmil-images/mine/5miy) | Crystal structure of the E3 ubiquitin ligase RavN from Legionella pneumophila | Descriptor: | 1,2-ETHANEDIOL, E3 ubiquitin ligase RavN, SODIUM ION, ... | Authors: | Lucas, M, Abascal-Palacios, G, Rojas, A.L, Hierro, A. | Deposit date: | 2016-11-29 | Release date: | 2018-05-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.717 Å) | Cite: | RavN is a member of a previously unrecognized group of Legionella pneumophila E3 ubiquitin ligases. PLoS Pathog., 14, 2018
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6P1G
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![BU of 6p1g by Molmil](/molmil-images/mine/6p1g) | Copper-bound PCuAC domain from PmoF2 | Descriptor: | COPPER (II) ION, Copper chaperone PCu(A)C, ZINC ION | Authors: | Fisher, O.S, Rosenzweig, A.C. | Deposit date: | 2019-05-19 | Release date: | 2019-09-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | PCuAC domains from methane-oxidizing bacteria use a histidine brace to bind copper. J.Biol.Chem., 294, 2019
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7OH4
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![BU of 7oh4 by Molmil](/molmil-images/mine/7oh4) | Cryo-EM structure of Drs2p-Cdc50p in the E1 state with PI4P and Mg2+ bound | Descriptor: | (2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Timcenko, M, Dieudonne, T, Montigny, C, Boesen, T, Lyons, J.A, Lenoir, G, Nissen, P. | Deposit date: | 2021-05-09 | Release date: | 2021-06-09 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural basis of substrate-independent phosphorylation in a P4-ATPase lipid flippase J.Mol.Biol., 2021
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6V2M
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7B0D
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![BU of 7b0d by Molmil](/molmil-images/mine/7b0d) | Sugar transaminase from Archaeoglobus veneficus | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | Authors: | James, P, Littlechild, J.A, De Rose, S.A, Isupov, M.N. | Deposit date: | 2020-11-19 | Release date: | 2021-12-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Sugar transaminases from hot environments To Be Published
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7OH7
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![BU of 7oh7 by Molmil](/molmil-images/mine/7oh7) | Cryo-EM structure of Drs2p-Cdc50p in the E1-AMPPCP state with PI4P bound | Descriptor: | (2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cell division control protein 50, ... | Authors: | Timcenko, M, Dieudonne, T, Montigny, C, Boesen, T, Lyons, J.A, Lenoir, G, Nissen, P. | Deposit date: | 2021-05-09 | Release date: | 2021-06-09 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural basis of substrate-independent phosphorylation in a P4-ATPase lipid flippase J.Mol.Biol., 2021
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8C42
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7OA2
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6YEG
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![BU of 6yeg by Molmil](/molmil-images/mine/6yeg) | Hybrid structure of the SPP1 tail tube by solid-state NMR and cryo EM - Final EM Refinement | Descriptor: | Tail tube protein gp17.1* | Authors: | Zinke, M, Sachowsky, K.A.A, Zinn-Justin, S, Ravelli, R, Schroder, G.F, Habeck, M, Lange, A. | Deposit date: | 2020-03-24 | Release date: | 2020-10-14 | Last modified: | 2023-09-13 | Method: | ELECTRON MICROSCOPY (4 Å), SOLID-STATE NMR | Cite: | Architecture of the flexible tail tube of bacteriophage SPP1. Nat Commun, 11, 2020
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8C3Z
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6VFH
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![BU of 6vfh by Molmil](/molmil-images/mine/6vfh) | |
6YOM
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![BU of 6yom by Molmil](/molmil-images/mine/6yom) | Crystal structure of tetrameric human D137N-SAMHD1 (residues 109-626) with XTP, dATP, dCMPNPP, Mn and Mg | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | Authors: | Morris, E.R, Kunzelmann, S, Caswell, S.J, Arnold, L.H, Purkiss, A.G, Kelly, G, Taylor, I.A. | Deposit date: | 2020-04-14 | Release date: | 2020-06-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Crystal structures of SAMHD1 inhibitor complexes reveal the mechanism of water-mediated dNTP hydrolysis. Nat Commun, 11, 2020
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6Y8S
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![BU of 6y8s by Molmil](/molmil-images/mine/6y8s) | Crystal structure of the quaternary ammonium Rieske monooxygenase CntA in complex with substrate gamma-butyrobetaine | Descriptor: | 3-CARBOXY-N,N,N-TRIMETHYLPROPAN-1-AMINIUM, Carnitine monooxygenase oxygenase subunit, FE (III) ION, ... | Authors: | Quareshy, M, Shanmugam, M, Bugg, T.D, Cameron, A, Chen, Y. | Deposit date: | 2020-03-05 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.629 Å) | Cite: | Structural basis of carnitine monooxygenase CntA substrate specificity, inhibition, and intersubunit electron transfer. J.Biol.Chem., 296, 2020
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5MMS
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![BU of 5mms by Molmil](/molmil-images/mine/5mms) | Human cystathionine beta-synthase (CBS) p.P49L delta409-551 variant | Descriptor: | Cystathionine beta-synthase, PROTOPORPHYRIN IX CONTAINING FE, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Vicente, J.B, Colaco, H.G, Malagrino, F, Santo, P.E, Gutierres, A, Bandeiras, T.M, Leandro, P, Brito, J.A, Giuffre, A. | Deposit date: | 2016-12-12 | Release date: | 2017-05-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A Clinically Relevant Variant of the Human Hydrogen Sulfide-Synthesizing Enzyme Cystathionine beta-Synthase: Increased CO Reactivity as a Novel Molecular Mechanism of Pathogenicity? Oxid Med Cell Longev, 2017, 2017
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8CJM
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![BU of 8cjm by Molmil](/molmil-images/mine/8cjm) | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-07-047 | Descriptor: | 7-(cyclobutylmethyl)-3-ethyl-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione, FE (III) ION, Tryptophan 5-hydroxylase 1 | Authors: | Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U. | Deposit date: | 2023-02-13 | Release date: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-Based Design of Xanthine-Imidazopyridines and -Imidazothiazoles as Highly Potent and In Vivo Efficacious Tryptophan Hydroxylase Inhibitors. J.Med.Chem., 66, 2023
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6YQN
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![BU of 6yqn by Molmil](/molmil-images/mine/6yqn) | Crystal structure of the first bromodomain of human BRD4 in complex with the dual inhibitor TW9 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-4-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]t rideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]benzamide | Authors: | Joerger, A.C, Balourdas, D.I, Weiser, T, Chatterjee, D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-04-17 | Release date: | 2020-05-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Characterization of a dual BET/HDAC inhibitor for treatment of pancreatic ductal adenocarcinoma. Int.J.Cancer, 147, 2020
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6MX1
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7OH6
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![BU of 7oh6 by Molmil](/molmil-images/mine/7oh6) | Cryo-EM structure of Drs2p-Cdc50p in the [PS]E2-AlFx state | Descriptor: | (2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Timcenko, M, Dieudonne, T, Montigny, C, Boesen, T, Lyons, J.A, Lenoir, G, Nissen, P. | Deposit date: | 2021-05-09 | Release date: | 2021-06-09 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural basis of substrate-independent phosphorylation in a P4-ATPase lipid flippase J.Mol.Biol., 2021
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6V71
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![BU of 6v71 by Molmil](/molmil-images/mine/6v71) | Crystal Structure of Metallo Beta Lactamase from Hirschia baltica with Nitrate in the Active Site | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, FORMIC ACID, ... | Authors: | Maltseva, N, Kim, Y, Clancy, S, Endres, M, Mulligan, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-12-06 | Release date: | 2019-12-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal Structure of Metallo Beta Lactamase from Hirschia baltica with Nitrate in the Active Site To Be Published
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7T7F
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![BU of 7t7f by Molmil](/molmil-images/mine/7t7f) | MA-1-206-OXA-23 25 minute complex | Descriptor: | (2R,4S)-2-(1,3-dihydroxypropan-2-yl)-4-{[(3R,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Beta-lactamase OXA-23 | Authors: | Smith, C.A, Stewart, N.K, Vakulenko, S.B. | Deposit date: | 2021-12-15 | Release date: | 2022-05-18 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | C6 Hydroxymethyl-Substituted Carbapenem MA-1-206 Inhibits the Major Acinetobacter baumannii Carbapenemase OXA-23 by Impeding Deacylation. Mbio, 13, 2022
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6V7I
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![BU of 6v7i by Molmil](/molmil-images/mine/6v7i) | Structure of KPC-2 bound to Vaborbactam at 1.25 A | Descriptor: | Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, SULFATE ION, ... | Authors: | Pemberton, O.A, Chen, Y. | Deposit date: | 2019-12-08 | Release date: | 2020-08-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Structural Basis and Binding Kinetics of Vaborbactam in Class A beta-Lactamase Inhibition. Antimicrob.Agents Chemother., 64, 2020
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5MPS
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![BU of 5mps by Molmil](/molmil-images/mine/5mps) | Structure of a spliceosome remodeled for exon ligation | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, MAGNESIUM ION, ... | Authors: | Fica, S.M, Oubridge, C, Galej, W.P, Wilkinson, M.E, Newman, A.J, Bai, X.-C, Nagai, K. | Deposit date: | 2016-12-18 | Release date: | 2017-01-18 | Last modified: | 2020-10-07 | Method: | ELECTRON MICROSCOPY (3.85 Å) | Cite: | Structure of a spliceosome remodelled for exon ligation. Nature, 542, 2017
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6PBW
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![BU of 6pbw by Molmil](/molmil-images/mine/6pbw) | Crystal structure of Fab667 complex | Descriptor: | Fab667 heavy chain, Fab667 light chain, GLYCEROL, ... | Authors: | Oyen, D, Wilson, I.A. | Deposit date: | 2019-06-14 | Release date: | 2020-03-04 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.058 Å) | Cite: | Structure and mechanism of monoclonal antibody binding to the junctional epitope of Plasmodium falciparum circumsporozoite protein. Plos Pathog., 16, 2020
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6N4Q
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![BU of 6n4q by Molmil](/molmil-images/mine/6n4q) | CryoEM structure of Nav1.7 VSD2 (actived state) in complex with the gating modifier toxin ProTx2 | Descriptor: | Beta/omega-theraphotoxin-Tp2a, Fab heavy chain, Fab light chain, ... | Authors: | Xu, H, Rohou, A, Arthur, C.P, Estevez, A, Ciferri, C, Payandeh, J, Koth, C.M. | Deposit date: | 2018-11-20 | Release date: | 2019-01-23 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural Basis of Nav1.7 Inhibition by a Gating-Modifier Spider Toxin. Cell, 176, 2019
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8CJI
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![BU of 8cji by Molmil](/molmil-images/mine/8cji) | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-07-052 | Descriptor: | FE (III) ION, Tryptophan 5-hydroxylase 1, methyl (2~{S})-2-azanyl-3-[[3-[[3-ethyl-2,6-bis(oxidanylidene)-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purin-7-yl]methyl]phenyl]carbonylamino]propanoate | Authors: | Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U. | Deposit date: | 2023-02-13 | Release date: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure-Based Design of Xanthine-Imidazopyridines and -Imidazothiazoles as Highly Potent and In Vivo Efficacious Tryptophan Hydroxylase Inhibitors. J.Med.Chem., 66, 2023
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