4HXZ
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![BU of 4hxz by Molmil](/molmil-images/mine/4hxz) | Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity. | Descriptor: | 6-ethyl-4-methoxy-2-(pyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde, Topoisomerase IV, subunit B | Authors: | Bensen, D.C, Creighton, C.J, Kwan, B, Tari, L.W. | Deposit date: | 2012-11-12 | Release date: | 2013-02-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity. Bioorg.Med.Chem.Lett., 23, 2013
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3BVZ
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7FFT
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7FFW
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![BU of 7ffw by Molmil](/molmil-images/mine/7ffw) | The crystal structure of a domain-swapped dimeric maltodextrin-binding protein MalE from Salmonella enterica | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, METHOXYETHANE, ... | Authors: | Wang, L, Bu, T, Bai, X. | Deposit date: | 2021-07-23 | Release date: | 2021-09-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of the domain-swapped dimeric maltodextrin-binding protein MalE from Salmonella enterica. Acta Crystallogr D Struct Biol, 78, 2022
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5GT2
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![BU of 5gt2 by Molmil](/molmil-images/mine/5gt2) | Crystal Structure and Biochemical Features of dye-decolorizing peroxidase YfeX from Escherichia coli O157 | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Probable deferrochelatase/peroxidase YfeX | Authors: | Ma, Y.L, Yuan, Z.G, Liu, S, Wang, J.X, Gu, L.C, Liu, X.H. | Deposit date: | 2016-08-18 | Release date: | 2017-02-08 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.093 Å) | Cite: | Crystal structure and biochemical features of dye-decolorizing peroxidase YfeX from Escherichia coli O157 Asp(143) and Arg(232) play divergent roles toward different substrates Biochem. Biophys. Res. Commun., 484, 2017
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4HYM
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![BU of 4hym by Molmil](/molmil-images/mine/4hym) | Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity. | Descriptor: | 7-({4-[(3R)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)pyrido[2,3-b]pyrazin-2(1H)-one, Topoisomerase IV, subunit B | Authors: | Bensen, D.C, Creighton, C.J, Kwan, B, Tari, L.W. | Deposit date: | 2012-11-13 | Release date: | 2013-02-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity. Bioorg.Med.Chem.Lett., 23, 2013
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7BBX
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![BU of 7bbx by Molmil](/molmil-images/mine/7bbx) | Neisseria gonorrhoeae transaldolase, variant K8A | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, Transaldolase | Authors: | Rabe von Pappenheim, F, Wensien, M, Funk, L.M, Tittmann, K. | Deposit date: | 2020-12-18 | Release date: | 2021-03-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (0.85 Å) | Cite: | A lysine-cysteine redox switch with an NOS bridge regulates enzyme function. Nature, 593, 2021
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4HXW
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![BU of 4hxw by Molmil](/molmil-images/mine/4hxw) | Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity. | Descriptor: | (3R)-1-[5-chloro-6-ethyl-2-(pyrido[2,3-b]pyrazin-7-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine, DNA gyrase subunit B, TERTIARY-BUTYL ALCOHOL | Authors: | Bensen, D.C, Trzoss, M, Tari, L.W. | Deposit date: | 2012-11-12 | Release date: | 2013-02-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity. Bioorg.Med.Chem.Lett., 23, 2013
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7BBW
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6IX4
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![BU of 6ix4 by Molmil](/molmil-images/mine/6ix4) | Structure of an epoxide hydrolase from Aspergillus usamii E001 (AuEH2) at 1.51 Angstroms resolution | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Hu, D, Hu, B.C, Hou, X.D, Wu, L, Rao, Y.J, Wu, M.C. | Deposit date: | 2018-12-09 | Release date: | 2019-12-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.511 Å) | Cite: | Nearly perfect kinetic resolution of racemic o-nitrostyrene oxide by AuEH2, a microsomal epoxide hydrolase from Aspergillus usamii, with high enantio- and regio-selectivity. Int.J.Biol.Macromol., 169, 2021
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7PJO
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5CCP
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![BU of 5ccp by Molmil](/molmil-images/mine/5ccp) | HISTIDINE 52 IS A CRITICAL RESIDUE FOR RAPID FORMATION OF CYTOCHROME C PEROXIDASE COMPOUND I | Descriptor: | CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Brown, K, Shaw, A, Miller, M.A, Kraut, J. | Deposit date: | 1993-06-07 | Release date: | 1993-10-31 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Histidine 52 is a critical residue for rapid formation of cytochrome c peroxidase compound I. Biochemistry, 32, 1993
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6JCM
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![BU of 6jcm by Molmil](/molmil-images/mine/6jcm) | Crystal structure of ligand-free Rv0187. | Descriptor: | ACETATE ION, Probable O-methyltransferase | Authors: | Kim, J, Lee, S. | Deposit date: | 2019-01-29 | Release date: | 2019-12-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Structural and biochemical characterization of Rv0187, an O-methyltransferase from Mycobacterium tuberculosis. Sci Rep, 9, 2019
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6CNA
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![BU of 6cna by Molmil](/molmil-images/mine/6cna) | GluN1-GluN2B NMDA receptors with exon 5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, ... | Authors: | Furukawa, H, Grant, T, Grigorieff, N. | Deposit date: | 2018-03-07 | Release date: | 2018-10-03 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (4.6 Å) | Cite: | Structural Mechanism of Functional Modulation by Gene Splicing in NMDA Receptors. Neuron, 98, 2018
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3FHE
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2LQ6
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![BU of 2lq6 by Molmil](/molmil-images/mine/2lq6) | Solution structure of BRD1 PHD2 finger | Descriptor: | Bromodomain-containing protein 1, ZINC ION | Authors: | Liu, L, Wu, J. | Deposit date: | 2012-02-25 | Release date: | 2012-10-24 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structure of an atypical PHD finger in BRPF2 and its interaction with DNA J.Struct.Biol., 180, 2012
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5KDH
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![BU of 5kdh by Molmil](/molmil-images/mine/5kdh) | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH A DIHYDROPYRIDOPYRIMIDINE SCAFFOLD INHIBITOR | Descriptor: | (5~{S})-1-ethyl-5-(4-methylphenyl)-8,9-dihydro-5~{H}-furo[3,4]pyrido[3,5-~{b}]pyrimidine-2,4,6-trione, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ... | Authors: | Zhu, J.-Y, Schonbrunn, E. | Deposit date: | 2016-06-08 | Release date: | 2017-08-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | BET Bromodomain Inhibitors with One-Step Synthesis Discovered from Virtual Screen. J. Med. Chem., 60, 2017
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5U74
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![BU of 5u74 by Molmil](/molmil-images/mine/5u74) | Structure of human Niemann-Pick C1 protein | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Li, X. | Deposit date: | 2016-12-11 | Release date: | 2017-10-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.335 Å) | Cite: | 3.3 angstrom structure of Niemann-Pick C1 protein reveals insights into the function of the C-terminal luminal domain in cholesterol transport. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6JCL
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![BU of 6jcl by Molmil](/molmil-images/mine/6jcl) | Crystal structure of cofactor-bound Rv0187 from MTB | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Probable O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Kim, J, Lee, S. | Deposit date: | 2019-01-29 | Release date: | 2019-12-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.644 Å) | Cite: | Structural and biochemical characterization of Rv0187, an O-methyltransferase from Mycobacterium tuberculosis. Sci Rep, 9, 2019
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5JYC
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![BU of 5jyc by Molmil](/molmil-images/mine/5jyc) | Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the adducted 14,15-EET hydrolysis intermediate | Descriptor: | (5~{Z},11~{Z},14~{R},15~{R})-14,15-bis(oxidanyl)icosa-5,8,11-trienoic acid, CFTR inhibitory factor | Authors: | Hvorecny, K.L, Madden, D.R. | Deposit date: | 2016-05-13 | Release date: | 2017-01-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Pseudomonas aeruginosa sabotages the generation of host proresolving lipid mediators. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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7WFW
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![BU of 7wfw by Molmil](/molmil-images/mine/7wfw) | Apo human Nav1.8 | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Yan, N, Pan, X.J, Huang, X.S, Huang, G.X. | Deposit date: | 2021-12-27 | Release date: | 2022-08-03 | Last modified: | 2022-09-21 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis for high-voltage activation and subtype-specific inhibition of human Na v 1.8. Proc.Natl.Acad.Sci.USA, 119, 2022
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7WEL
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![BU of 7wel by Molmil](/molmil-images/mine/7wel) | Human Nav1.8 with A-803467, class II | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Yan, N, Pan, X.J, Huang, X.S, Huang, G.X. | Deposit date: | 2021-12-23 | Release date: | 2022-08-03 | Last modified: | 2022-09-21 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural basis for high-voltage activation and subtype-specific inhibition of human Na v 1.8. Proc.Natl.Acad.Sci.USA, 119, 2022
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7WFR
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![BU of 7wfr by Molmil](/molmil-images/mine/7wfr) | Human Nav1.8 with A-803467, class III | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Yan, N, Pan, X.J, Huang, X.S, Huang, G.X. | Deposit date: | 2021-12-27 | Release date: | 2022-08-03 | Last modified: | 2022-09-21 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural basis for high-voltage activation and subtype-specific inhibition of human Na v 1.8. Proc.Natl.Acad.Sci.USA, 119, 2022
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7WE4
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![BU of 7we4 by Molmil](/molmil-images/mine/7we4) | Human Nav1.8 with A-803467, class I | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Yan, N, Pan, X.J, Huang, X.S, Huang, G.X. | Deposit date: | 2021-12-22 | Release date: | 2022-08-03 | Last modified: | 2022-09-21 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structural basis for high-voltage activation and subtype-specific inhibition of human Na v 1.8. Proc.Natl.Acad.Sci.USA, 119, 2022
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8J0K
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![BU of 8j0k by Molmil](/molmil-images/mine/8j0k) | Crystal structure of human TFAP2A in complex with DNA | Descriptor: | DNA (5'-D(*CP*TP*GP*CP*CP*TP*CP*GP*GP*GP*CP*AP*C)-3'), DNA (5'-D(*GP*TP*GP*CP*CP*CP*GP*AP*GP*GP*CP*AP*G)-3'), GLYCEROL, ... | Authors: | Liu, K, Xiao, Y.Q, Li, W.F, Min, J.R. | Deposit date: | 2023-04-11 | Release date: | 2023-07-05 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for specific DNA sequence motif recognition by the TFAP2 transcription factors. Nucleic Acids Res., 51, 2023
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