5CWX
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![BU of 5cwx by Molmil](/molmil-images/mine/5cwx) | Structure of Xoo1075, a peptide deformylase from Xanthomonas oryzae pv oryzae, in complex with fragment 134 | Descriptor: | 3-(2-methyl-1,3-thiazol-4-yl)aniline, ACETATE ION, CADMIUM ION, ... | Authors: | Ngo, H.P.T, Kang, L.W. | Deposit date: | 2015-07-28 | Release date: | 2016-08-03 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of Xoo1075, a peptide deformylase from Xanthomonas oryzae pv oryzae, in complex with fragment 134 To Be Published
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6A4R
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![BU of 6a4r by Molmil](/molmil-images/mine/6a4r) | Crystal structure of aspartate bound peptidase E from Salmonella enterica | Descriptor: | ASPARTIC ACID, Peptidase E | Authors: | Yadav, P, Chandravanshi, K, Goyal, V.D, Singh, R, Kumar, A, Gokhale, S.M, Makde, R.D. | Deposit date: | 2018-06-20 | Release date: | 2018-10-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.828 Å) | Cite: | Structure of Asp-bound peptidase E from Salmonella enterica: Active site at dimer interface illuminates Asp recognition. FEBS Lett., 592, 2018
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1CL5
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![BU of 1cl5 by Molmil](/molmil-images/mine/1cl5) | |
5D2T
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![BU of 5d2t by Molmil](/molmil-images/mine/5d2t) | |
5D37
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5D3K
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![BU of 5d3k by Molmil](/molmil-images/mine/5d3k) | Crystal structure of the thioesterase domain of deoxyerythronolide B synthase | Descriptor: | CALCIUM ION, Erythronolide synthase, modules 5 and 6, ... | Authors: | Bergeret, F, Argyropoulos, P, Boddy, C.N, Schmeing, T.M. | Deposit date: | 2015-08-06 | Release date: | 2015-12-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Towards a characterization of the structural determinants of specificity in the macrocyclizing thioesterase for deoxyerythronolide B biosynthesis. Biochim.Biophys.Acta, 1860, 2015
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6I2S
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![BU of 6i2s by Molmil](/molmil-images/mine/6i2s) | Crystal structure of the SucA domain of Mycobacterium smegmatis KGD (R802A) in complex with GarA, following 2-oxoglutarate soak | Descriptor: | (4S)-4-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3lambda~5~-thiazol-2-yl}-4-hydroxybutanoic acid, CALCIUM ION, Glycogen accumulation regulator GarA, ... | Authors: | Wagner, T, Bellinzoni, M, Alzari, P.M. | Deposit date: | 2018-11-01 | Release date: | 2019-05-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural insights into the functional versatility of an FHA domain protein in mycobacterial signaling. Sci.Signal., 12, 2019
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1HUT
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![BU of 1hut by Molmil](/molmil-images/mine/1hut) | THE STRUCTURE OF ALPHA-THROMBIN INHIBITED BY A 15-MER SINGLE-STRANDED DNA APTAMER | Descriptor: | ALPHA-Thrombin heavy chain, ALPHA-Thrombin light chain, D-phenylalanyl-N-[(3S)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-L-prolinamide, ... | Authors: | Padmanabhan, K, Padmanabhan, K.P, Ferrara, J.D, Sadler, J.E, Tulinsky, A. | Deposit date: | 1993-05-27 | Release date: | 1994-06-22 | Last modified: | 2013-02-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The structure of alpha-thrombin inhibited by a 15-mer single-stranded DNA aptamer. J.Biol.Chem., 268, 1993
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1DGR
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5DHI
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5DHX
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![BU of 5dhx by Molmil](/molmil-images/mine/5dhx) | HIV-1 Rev NTD dimers with variable crossing angles | Descriptor: | Anti-Rev Antibody Fab single-chain variable fragment, light chain,Anti-Rev Antibody Fab single-chain variable fragment, heavy chain, ... | Authors: | DiMattia, M.A, Watts, N.R, Wingfield, P.T, Grimes, J.M, Stuart, D.I, Steven, A.C. | Deposit date: | 2015-08-31 | Release date: | 2016-06-22 | Last modified: | 2017-08-30 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The Structure of HIV-1 Rev Filaments Suggests a Bilateral Model for Rev-RRE Assembly. Structure, 24, 2016
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3DG8
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![BU of 3dg8 by Molmil](/molmil-images/mine/3dg8) | Quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with RJF670, NADPH, and dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, N-(3,5-dimethoxyphenyl)imidodicarbonimidic diamide, ... | Authors: | Dasgupta, T, Chitnumsub, P, Maneeruttanarungroj, C, Kamchonwongpaisan, S, Nichols, S, Lyons, T.M, Tirado-Rives, J, Jorgensen, W.L, Yuthavong, Y, Anderson, K.S. | Deposit date: | 2008-06-13 | Release date: | 2009-01-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Exploiting structural analysis, in silico screening, and serendipity to identify novel inhibitors of drug-resistant falciparum malaria. Acs Chem.Biol., 4, 2009
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1SLJ
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![BU of 1slj by Molmil](/molmil-images/mine/1slj) | Solution structure of the S1 domain of RNase E from E. coli | Descriptor: | Ribonuclease E | Authors: | Schubert, M, Edge, R.E, Lario, P, Cook, M.A, Strynadka, N.C.J, Mackie, G.A, McIntosh, L.P. | Deposit date: | 2004-03-05 | Release date: | 2004-08-17 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structural characterization of the RNase E S1 domain and identification of its oligonucleotide-binding and dimerization interfaces. J.Mol.Biol., 341, 2004
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7Z9B
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![BU of 7z9b by Molmil](/molmil-images/mine/7z9b) | Sam68 | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, IODIDE ION, ... | Authors: | Nadal, M, Fuentes-Prior, P. | Deposit date: | 2022-03-20 | Release date: | 2023-02-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.333 Å) | Cite: | Structure and function analysis of Sam68 and hnRNP A1 synergy in the exclusion of exon 7 from SMN2 transcripts. Protein Sci., 32, 2023
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3LPE
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![BU of 3lpe by Molmil](/molmil-images/mine/3lpe) | Crystal structure of Spt4/5NGN heterodimer complex from Methanococcus jannaschii | Descriptor: | DNA-directed RNA polymerase subunit E'', Putative transcription antitermination protein nusG, ZINC ION | Authors: | Hirtreiter, A, Damsma, G.E, Cheung, A.C.M, Klose, D, Grohmann, D, Vojnic, E, Martin, A.C.R, Cramer, P, Werner, F. | Deposit date: | 2010-02-05 | Release date: | 2010-03-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Spt4/5 stimulates transcription elongation through the RNA polymerase clamp coiled-coil motif. Nucleic Acids Res., 38, 2010
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2QWO
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![BU of 2qwo by Molmil](/molmil-images/mine/2qwo) | Crystal structure of disulfide-bond-crosslinked complex of bovine hsc70 (1-394aa)R171C and bovine Auxilin (810-910aa)D876C in the ADP*Pi form #1 | Descriptor: | ACETIC ACID, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ... | Authors: | Jiang, J, Maes, E.G, Wang, L, Taylor, A.B, Hinck, A.P, Lafer, E.M, Sousa, R. | Deposit date: | 2007-08-10 | Release date: | 2007-12-18 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis of J cochaperone binding and regulation of Hsp70. Mol.Cell, 28, 2007
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5DR9
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![BU of 5dr9 by Molmil](/molmil-images/mine/5dr9) | Aurora A Kinase in Complex with AA29 and JNJ-7706621 in Space Group P6122 | Descriptor: | 2-(3-bromophenyl)-6-chloroquinoline-4-carboxylic acid, 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, Aurora kinase A | Authors: | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R. | Deposit date: | 2015-09-15 | Release date: | 2016-07-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2. Sci Rep, 6, 2016
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5DPV
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![BU of 5dpv by Molmil](/molmil-images/mine/5dpv) | Aurora A Kinase in Complex with AA35 and JNJ-7706621 in Space Group P6122 | Descriptor: | 2-(3-bromophenyl)-8-fluoroquinoline-4-carboxylic acid, 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, Aurora kinase A | Authors: | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R. | Deposit date: | 2015-09-14 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.285 Å) | Cite: | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2. Sci Rep, 6, 2016
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1DDK
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![BU of 1ddk by Molmil](/molmil-images/mine/1ddk) | CRYSTAL STRUCTURE OF IMP-1 METALLO BETA-LACTAMASE FROM PSEUDOMONAS AERUGINOSA | Descriptor: | ACETIC ACID, IMP-1 METALLO BETA-LACTAMASE, ZINC ION | Authors: | Concha, N.O, Janson, C.A, Rowling, P, Pearson, S, Cheever, C.A, Clarke, B.P, Lewis, C, Galleni, M, Frere, J.M, Payne, D.J, Bateson, J.H, Abdel-Meguid, S.S. | Deposit date: | 1999-11-10 | Release date: | 2000-11-13 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystal structure of the IMP-1 metallo beta-lactamase from Pseudomonas aeruginosa and its complex with a mercaptocarboxylate inhibitor: binding determinants of a potent, broad-spectrum inhibitor. Biochemistry, 39, 2000
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1DL8
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![BU of 1dl8 by Molmil](/molmil-images/mine/1dl8) | CRYSTAL STRUCTURE OF 5-F-9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-4-CARBOXAMIDE BOUND TO D(CGTACG)2 | Descriptor: | 5-FLUORO-9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-4-CARBOXAMIDE, DNA (5'-D(*CP*GP*TP*AP*CP*G)-3') | Authors: | Adams, A, Guss, J.M, Collyer, C.A, Denny, W.A, Wakelin, L.P. | Deposit date: | 1999-12-08 | Release date: | 2000-10-30 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Acridinecarboxamide topoisomerase poisons: structural and kinetic studies of the DNA complexes of 5-substituted 9-amino-(N-(2-dimethylamino)ethyl)acridine-4-carboxamides. Mol.Pharmacol., 58, 2000
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5DRO
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![BU of 5dro by Molmil](/molmil-images/mine/5dro) | Structure of the Aquifex aeolicus LpxC/LPC-011 Complex | Descriptor: | 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Lee, C.-J, Najeeb, J, Zhou, P. | Deposit date: | 2015-09-16 | Release date: | 2016-03-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Drug design from the cryptic inhibitor envelope. Nat Commun, 7, 2016
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1SPP
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![BU of 1spp by Molmil](/molmil-images/mine/1spp) | THE CRYSTAL STRUCTURES OF TWO MEMBERS OF THE SPERMADHESIN FAMILY REVEAL THE FOLDING OF THE CUB DOMAIN | Descriptor: | MAJOR SEMINAL PLASMA GLYCOPROTEIN PSP-I, MAJOR SEMINAL PLASMA GLYCOPROTEIN PSP-II | Authors: | Romero, A, Romao, M.J, Varela, P.F, Kolln, I, Dias, J.M, Carvalho, A.L, Sanz, L, Topfer-Petersen, E, Calvete, J.J. | Deposit date: | 1997-06-19 | Release date: | 1998-06-24 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The crystal structures of two spermadhesins reveal the CUB domain fold. Nat.Struct.Biol., 4, 1997
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2R1K
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![BU of 2r1k by Molmil](/molmil-images/mine/2r1k) | OpdA from Agrobacterium radiobacter with bound diethyl phosphate from crystal soaking with the compound- 1.9 A | Descriptor: | 1,2-ETHANEDIOL, COBALT (II) ION, DIETHYL HYDROGEN PHOSPHATE, ... | Authors: | Ollis, D.L, Jackson, C.J, Foo, J.L, Kim, H.K, Carr, P.D, Liu, J.W, Salem, G. | Deposit date: | 2007-08-23 | Release date: | 2008-02-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | In crystallo capture of a Michaelis complex and product-binding modes of a bacterial phosphotriesterase J.Mol.Biol., 375, 2008
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5DVR
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![BU of 5dvr by Molmil](/molmil-images/mine/5dvr) | Crystal Structure of TgCDPK1 From Toxoplasma Gondii complexed with GW780159X | Descriptor: | 4-(3-chlorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine, Calmodulin-domain protein kinase 1, UNKNOWN ATOM OR ION | Authors: | Jiang, D.Q, Tempel, W, Loppnau, P, Graslund, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Lovato, D.V, Osman, K.T, Structural Genomics Consortium (SGC) | Deposit date: | 2015-09-21 | Release date: | 2015-09-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of TgCDPK1 From Toxoplasma Gondii complexed with GW780159X to be published
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5DT0
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![BU of 5dt0 by Molmil](/molmil-images/mine/5dt0) | Aurora A Kinase in Complex with JNJ-7706621 in Space Group P6122 | Descriptor: | 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, Aurora kinase A | Authors: | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R. | Deposit date: | 2015-09-17 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2. Sci Rep, 6, 2016
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