5VZI
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![BU of 5vzi by Molmil](/molmil-images/mine/5vzi) | Post-catalytic complex of human Polymerase Mu (W434H) mutant with incoming dTTP | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*GP*CP*AP*TP*AP*CP*G)-3'), DNA (5'-D(*CP*GP*TP*AP*T)-3'), ... | Authors: | Moon, A.F, Pryor, J.M, Ramsden, D.A, Kunkel, T.A, Bebenek, K, Pedersen, L.C. | Deposit date: | 2017-05-27 | Release date: | 2017-07-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural accommodation of ribonucleotide incorporation by the DNA repair enzyme polymerase Mu. Nucleic Acids Res., 45, 2017
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5VZF
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![BU of 5vzf by Molmil](/molmil-images/mine/5vzf) | Post-catalytic complex of human Polymerase Mu (W434A) mutant with incoming dTTP | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*GP*CP*AP*TP*AP*CP*G)-3'), DNA (5'-D(*CP*GP*TP*AP*T)-3'), ... | Authors: | Moon, A.F, Pryor, J.M, Ramsden, D.A, Kunkel, T.A, Bebenek, K, Pedersen, L.C. | Deposit date: | 2017-05-27 | Release date: | 2017-07-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural accommodation of ribonucleotide incorporation by the DNA repair enzyme polymerase Mu. Nucleic Acids Res., 45, 2017
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1VCJ
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![BU of 1vcj by Molmil](/molmil-images/mine/1vcj) | Influenza B virus neuraminidase complexed with 1-(4-Carboxy-2-(3-pentylamino)phenyl)-5-aminomethyl-5-hydroxymethyl-pyrrolidin-2-one | Descriptor: | 4-[(2R)-2-(AMINOMETHYL)-2-(HYDROXYMETHYL)-5-OXOPYRROLIDIN-1-YL]-3-[(1-ETHYLPROPYL)AMINO]BENZOIC ACID, NEURAMINIDASE | Authors: | Lommer, B.S, Ali, S.M, Bajpai, S.N, Brouillette, W.J, Air, G.M, Luo, M. | Deposit date: | 2004-03-09 | Release date: | 2004-03-23 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A benzoic acid inhibitor induces a novel conformational change in the active site of Influenza B virus neuraminidase. Acta Crystallogr.,Sect.D, 60, 2004
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7WU1
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![BU of 7wu1 by Molmil](/molmil-images/mine/7wu1) | Crystal structure of phospholipase D from Moritella sp. JT01 | Descriptor: | 1,2-ETHANEDIOL, Phospholipase D, SODIUM ION | Authors: | Wang, Y.H, Mao, X.J, Wang, J, Wang, F.H. | Deposit date: | 2022-02-05 | Release date: | 2023-02-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of phospholipase D from Moritella sp. JT01 To Be Published
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6HLA
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![BU of 6hla by Molmil](/molmil-images/mine/6hla) | wild-type NuoEF from Aquifex aeolicus - reduced form bound to NADH | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | Authors: | Gerhardt, S, Friedrich, T, Einsle, O, Gnandt, E, Schulte, M, Fiegen, D. | Deposit date: | 2018-09-11 | Release date: | 2019-06-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I. Nat Commun, 10, 2019
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6TFP
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![BU of 6tfp by Molmil](/molmil-images/mine/6tfp) | BTK in complex with LOU064, a potent and highly selective covalent inhibitor | Descriptor: | SODIUM ION, Tyrosine-protein kinase BTK, ~{N}-[3-[6-azanyl-5-[2-[methyl(propanoyl)amino]ethoxy]pyrimidin-4-yl]-5-fluoranyl-2-methyl-phenyl]-4-cyclopropyl-2-fluoranyl-benzamide | Authors: | Scheufler, C, Hinniger, A, Gutmann, S. | Deposit date: | 2019-11-14 | Release date: | 2020-03-04 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of LOU064 (Remibrutinib), a Potent and Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J.Med.Chem., 63, 2020
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5WNX
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![BU of 5wnx by Molmil](/molmil-images/mine/5wnx) | DNA polymerase beta substrate complex with incoming 6-TdGTP | Descriptor: | 2-amino-9-{2-deoxy-5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-1,9-dihydro-6H-purine-6-thione, CALCIUM ION, CHLORIDE ION, ... | Authors: | Schaich, M.A, Smith, M.R, Cloud, A.S, Holloran, S.M, Freudenthal, B.D. | Deposit date: | 2017-08-01 | Release date: | 2017-09-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structures of a DNA Polymerase Inserting Therapeutic Nucleotide Analogues. Chem. Res. Toxicol., 30, 2017
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7Y7Y
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![BU of 7y7y by Molmil](/molmil-images/mine/7y7y) | Cryo-EM structure of human GABA transporter GAT1 bound with nipecotic acid in NaCl solution in an inward-occluded state at 2.4 angstrom | Descriptor: | (3R)-piperidine-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Zhu, A, Huang, J, Kong, F, Tan, J, Lei, J, Yuan, Y, Yan, C. | Deposit date: | 2022-06-22 | Release date: | 2023-04-26 | Last modified: | 2023-08-16 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | Molecular basis for substrate recognition and transport of human GABA transporter GAT1. Nat.Struct.Mol.Biol., 30, 2023
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7Y7W
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![BU of 7y7w by Molmil](/molmil-images/mine/7y7w) | Cryo-EM structure of human GABA transporter GAT1 bound with GABA in NaCl solution in an inward-occluded state at 2.4 angstrom | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GAMMA-AMINO-BUTANOIC ACID, ... | Authors: | Zhu, A, Huang, J, Kong, F, Tan, J, Lei, J, Yuan, Y, Yan, C. | Deposit date: | 2022-06-22 | Release date: | 2023-04-26 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | Molecular basis for substrate recognition and transport of human GABA transporter GAT1. Nat.Struct.Mol.Biol., 30, 2023
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6I3E
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![BU of 6i3e by Molmil](/molmil-images/mine/6i3e) | Human Carbonic Anhydrase II in complex with 4-Butylbenzenesulfonamide | Descriptor: | 4-butoxybenzenesulfonamide, CITRIC ACID, Carbonic anhydrase 2, ... | Authors: | Gloeckner, S, Ngo, K, Heine, A, Klebe, G. | Deposit date: | 2018-11-05 | Release date: | 2019-11-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | Conformational Changes in Alkyl Chains Determine the Thermodynamic and Kinetic Binding Profiles of Carbonic Anhydrase Inhibitors. Acs Chem.Biol., 15, 2020
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6I3K
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![BU of 6i3k by Molmil](/molmil-images/mine/6i3k) | Bilirubin oxidase from Myrothecium verrucaria, mutant W396A in complex with ferricyanide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Bilirubin oxidase, COPPER (II) ION, ... | Authors: | Koval, T, Svecova, L, Skalova, T, Kolenko, P, Duskova, J, Ostergaard, L.H, Dohnalek, J. | Deposit date: | 2018-11-06 | Release date: | 2019-10-02 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Trp-His covalent adduct in bilirubin oxidase is crucial for effective bilirubin binding but has a minor role in electron transfer. Sci Rep, 9, 2019
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6SIM
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![BU of 6sim by Molmil](/molmil-images/mine/6sim) | SAD structure of Hen Egg White Lysozyme recovered by inverse beam geometry data collection and univariate analysis | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | Authors: | Garcia-Bonete, M.J, Katona, G. | Deposit date: | 2019-08-10 | Release date: | 2019-11-06 | Last modified: | 2019-11-13 | Method: | X-RAY DIFFRACTION (1.61018026 Å) | Cite: | Bayesian machine learning improves single-wavelength anomalous diffraction phasing. Acta Crystallogr.,Sect.A, 75, 2019
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5V53
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![BU of 5v53 by Molmil](/molmil-images/mine/5v53) | |
6SXE
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![BU of 6sxe by Molmil](/molmil-images/mine/6sxe) | Crystal Structure of the Voltage-Gated Sodium Channel NavMs (F208L) in complex with Endoxifen (2.6 Angstrom resolution) | Descriptor: | 2,5,8,11,14,17,20,23-OCTAOXAPENTACOSAN-25-OL, Endoxifen, HEGA-10, ... | Authors: | Sula, A, Hollingworth, D, Wallace, B.A. | Deposit date: | 2019-09-25 | Release date: | 2021-02-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A tamoxifen receptor within a voltage-gated sodium channel. Mol.Cell, 81, 2021
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6HXI
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![BU of 6hxi by Molmil](/molmil-images/mine/6hxi) | |
5VFB
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![BU of 5vfb by Molmil](/molmil-images/mine/5vfb) | 1.36 Angstrom Resolution Crystal Structure of Malate Synthase G from Pseudomonas aeruginosa in Complex with Glycolic Acid. | Descriptor: | CHLORIDE ION, GLYCOLIC ACID, Malate synthase G, ... | Authors: | Minasov, G, Shuvalova, L, Dubrovska, I, Kiryukhina, O, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-04-07 | Release date: | 2017-04-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | 1.36 Angstrom Resolution Crystal Structure of Malate Synthase G from Pseudomonas aeruginosa in Complex with Glycolic Acid. To Be Published
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5VGY
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![BU of 5vgy by Molmil](/molmil-images/mine/5vgy) | Identification of a New Zinc Binding Chemotype by Fragment Screening | Descriptor: | (5S)-5-[(2,4-dimethoxyphenyl)methyl]-5-hydroxy-2-sulfanylideneimidazolidin-4-one, Carbonic anhydrase 2, SODIUM ION, ... | Authors: | Peat, T.S. | Deposit date: | 2017-04-11 | Release date: | 2017-08-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Identification of a New Zinc Binding Chemotype by Fragment Screening. J. Med. Chem., 60, 2017
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6H08
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![BU of 6h08 by Molmil](/molmil-images/mine/6h08) | The crystal structure of engineered cytochrome c peroxidase from Saccharomyces cerevisiae with a His175Me-His proximal ligand substitution | Descriptor: | COBALT (II) ION, Cytochrome c peroxidase, mitochondrial, ... | Authors: | Ortmayer, M, Levy, C, Green, A.P. | Deposit date: | 2018-07-06 | Release date: | 2020-02-12 | Last modified: | 2020-07-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Rewiring the "Push-Pull" Catalytic Machinery of a Heme Enzyme Using an Expanded Genetic Code. Acs Catalysis, 10, 2020
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6GL4
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![BU of 6gl4 by Molmil](/molmil-images/mine/6gl4) | Structure of GluA2o ligand-binding domain (S1S2J) in complex with glutamate and sodium bromide at 1.95 A resolution | Descriptor: | ACETATE ION, BROMIDE ION, GLUTAMIC ACID, ... | Authors: | Venskutonyte, R, Frydenvang, K, Kastrup, J.S. | Deposit date: | 2018-05-22 | Release date: | 2019-05-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.948 Å) | Cite: | Nanoscale Mobility of the Apo State and TARP Stoichiometry Dictate the Gating Behavior of Alternatively Spliced AMPA Receptors. Neuron, 102, 2019
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5W8O
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![BU of 5w8o by Molmil](/molmil-images/mine/5w8o) | Homoserine transacetylase MetX from Mycobacterium hassiacum | Descriptor: | CALCIUM ION, GLYCEROL, Homoserine O-acetyltransferase, ... | Authors: | Reed, R.W, Rodriguez, E.S, Li, J, Korotkov, K.V. | Deposit date: | 2017-06-22 | Release date: | 2017-07-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Structural analysis of mycobacterial homoserine transacetylases central to methionine biosynthesis reveals druggable active site. Sci Rep, 9, 2019
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5V1R
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![BU of 5v1r by Molmil](/molmil-images/mine/5v1r) | DNA polymerase beta reactant complex with 8-oxoG:C at the primer terminus and incoming dCTP | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*GP*CP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | Authors: | Freudenthal, B.D, Smith, M.R, Whitaker, A.M, Schaich, M.A. | Deposit date: | 2017-03-02 | Release date: | 2017-05-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.077 Å) | Cite: | Capturing a mammalian DNA polymerase extending from an oxidized nucleotide. Nucleic Acids Res., 45, 2017
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7VVR
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![BU of 7vvr by Molmil](/molmil-images/mine/7vvr) | Bovine cytochrome c oxidese in CN-bound mixed valence state at 50 K | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Shimada, A, Tsukihara, T. | Deposit date: | 2021-11-08 | Release date: | 2022-11-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystallographic cyanide-probing for cytochrome c oxidase reveals structural bases suggesting that a putative proton transfer H-pathway pumps protons. J.Biol.Chem., 299, 2023
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7VUW
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![BU of 7vuw by Molmil](/molmil-images/mine/7vuw) | Bovine heart cytochrome c oxidase in the cyanide-bound fully oxidized state at 50 K | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Shimada, A, Tsukihara, T. | Deposit date: | 2021-11-04 | Release date: | 2022-11-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystallographic cyanide-probing for cytochrome c oxidase reveals structural bases suggesting that a putative proton transfer H-pathway pumps protons. J.Biol.Chem., 299, 2023
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6GHP
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![BU of 6ghp by Molmil](/molmil-images/mine/6ghp) | 14-3-3sigma in complex with a TASK3 peptide stabilized by semi-synthetic natural product FC-NAc | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, Potassium channel subfamily K member 9, ... | Authors: | Andrei, S.A, de Vink, P.J, Brunsveld, L, Ottmann, C, Higuchi, Y. | Deposit date: | 2018-05-08 | Release date: | 2018-08-01 | Last modified: | 2018-10-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Rationally Designed Semisynthetic Natural Product Analogues for Stabilization of 14-3-3 Protein-Protein Interactions. Angew. Chem. Int. Ed. Engl., 57, 2018
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5ULG
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![BU of 5ulg by Molmil](/molmil-images/mine/5ulg) | |