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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1S9J
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![BU of 1s9j by Molmil](/molmil-images/mine/1s9j) | X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with ligand and MgATP | Descriptor: | 5-BROMO-N-(2,3-DIHYDROXYPROPOXY)-3,4-DIFLUORO-2-[(2-FLUORO-4-IODOPHENYL)AMINO]BENZAMIDE, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, ... | Authors: | Ohren, J.F, Chen, H, Pavlovsky, A, Whitehead, C, Yan, C, McConnell, P, Delaney, A, Dudley, D.T, Sebolt-Leopold, J, Hasemann, C.A. | Deposit date: | 2004-02-04 | Release date: | 2004-11-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structures of human MAP kinase kinase 1 (MEK1) and MEK2 describe novel noncompetitive kinase inhibition. Nat.Struct.Mol.Biol., 11, 2004
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5XCE
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![BU of 5xce by Molmil](/molmil-images/mine/5xce) | Crystal structure of Wild type Vps29 from Entamoeba histolytica | Descriptor: | Vacuolar protein sorting-associated protein 29 | Authors: | Srivastava, V.K, Yadav, R, Tomar, P, Gourinath, S, Datta, S. | Deposit date: | 2017-03-22 | Release date: | 2017-10-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Structural and thermodynamic characterization of metal binding in Vps29 from Entamoeba histolytica: implication in retromer function. Mol. Microbiol., 106, 2017
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3LU9
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![BU of 3lu9 by Molmil](/molmil-images/mine/3lu9) | Crystal structure of human thrombin mutant S195A in complex with the extracellular fragment of human PAR1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Proteinase-activated receptor 1, ... | Authors: | Gandhi, P.S, Chen, Z, Di Cera, E. | Deposit date: | 2010-02-17 | Release date: | 2010-03-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of thrombin bound to the uncleaved extracellular fragment of PAR1. J.Biol.Chem., 285, 2010
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3LVB
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![BU of 3lvb by Molmil](/molmil-images/mine/3lvb) | Crystal structure of the Ferredoxin:NADP+ reductase from maize root at 1.7 angstroms - Test Set Withheld | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin-NADP reductase | Authors: | Faber, H.R, Karplus, P.A, Aliverti, A, Ferioli, C, Spinola, M. | Deposit date: | 2010-02-19 | Release date: | 2010-03-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Biochemical and crystallographic characterization of ferredoxin-NADP(+) reductase from nonphotosynthetic tissues Biochemistry, 40, 2001
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2I59
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![BU of 2i59 by Molmil](/molmil-images/mine/2i59) | Solution structure of RGS10 | Descriptor: | Regulator of G-protein signaling 10 | Authors: | Fedorov, O, Higman, V.A, Diehl, A, Leidert, M, Lemak, A, Schmieder, P, Oschkinat, H, Elkins, J, Soundarajan, M, Doyle, D.A, Arrowsmith, C, Sundstrom, M, Weigelt, J, Edwards, A, Ball, L.J, Structural Genomics Consortium (SGC) | Deposit date: | 2006-08-24 | Release date: | 2006-10-31 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits. Proc.Natl.Acad.Sci.Usa, 105, 2008
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1I0A
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![BU of 1i0a by Molmil](/molmil-images/mine/1i0a) | |
1I0T
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![BU of 1i0t by Molmil](/molmil-images/mine/1i0t) | 0.6 A STRUCTURE OF Z-DNA CGCGCG | Descriptor: | 5'-D(*CP*GP*CP*GP*CP*G)-3', SPERMINE | Authors: | Tereshko, V, Wilds, C.J, Minasov, G, Prakash, T.P, Maier, M.A, Howard, A, Wawrzak, Z, Manoharan, M, Egli, M. | Deposit date: | 2001-01-29 | Release date: | 2001-04-04 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (0.6 Å) | Cite: | Detection of alkali metal ions in DNA crystals using state-of-the-art X-ray diffraction experiments. Nucleic Acids Res., 29, 2001
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5DO2
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![BU of 5do2 by Molmil](/molmil-images/mine/5do2) | Complex structure of MERS-RBD bound with 4C2 antibody | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4C2 heavy chain, 4C2 light chain, ... | Authors: | Li, Y, Wan, Y, Liu, P, Zhao, J, Lu, G, Qi, J, Wang, Q, Lu, X, Wu, Y, Liu, W, Yuen, K.Y, Perlman, S, Gao, G.F, Yan, J. | Deposit date: | 2015-09-10 | Release date: | 2015-10-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.409 Å) | Cite: | A humanized neutralizing antibody against MERS-CoV targeting the receptor-binding domain of the spike protein. Cell Res., 25, 2015
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2HZM
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![BU of 2hzm by Molmil](/molmil-images/mine/2hzm) | Structure of the Mediator head subcomplex Med18/20 | Descriptor: | PHOSPHATE ION, RNA polymerase II mediator complex subunit 18, RNA polymerase II mediator complex subunit 20 | Authors: | Lariviere, L, Geiger, S, Hoeppner, S, Rother, S, Straesser, K, Cramer, P. | Deposit date: | 2006-08-09 | Release date: | 2006-09-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure and TBP binding of the Mediator head subcomplex Med8-Med18-Med20. Nat.Struct.Mol.Biol., 13, 2006
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6A2C
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![BU of 6a2c by Molmil](/molmil-images/mine/6a2c) | Crystal structure of a synthase 2 from santalum album in complex with lig2 | Descriptor: | FARNESYL DIPHOSPHATE, MAGNESIUM ION, Sesquisabinene B synthase 2 | Authors: | Han, X, Ko, T.P, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T. | Deposit date: | 2018-06-10 | Release date: | 2019-06-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Crystal structure of a synthase 2 from santalum album in complex with lig2 To be published
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5DP4
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![BU of 5dp4 by Molmil](/molmil-images/mine/5dp4) | Crystal Structure of EV71 3C Proteinase in complex with compound 3 | Descriptor: | 3C proteinase, ethyl (2Z,4S)-4-{[(2S)-2-methyl-3-phenylpropanoyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate | Authors: | Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T. | Deposit date: | 2015-09-12 | Release date: | 2016-03-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71 Biochim.Biophys.Acta, 1860, 2016
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3LSV
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![BU of 3lsv by Molmil](/molmil-images/mine/3lsv) | |
1DD6
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![BU of 1dd6 by Molmil](/molmil-images/mine/1dd6) | IMP-1 METALLO BETA-LACTAMASE FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH A MERCAPTOCARBOXYLATE INHIBITOR | Descriptor: | (2-MERCAPTOMETHYL-4-PHENYL-BUTYRYLIMINO)-(5-TETRAZOL-1-YLMETHYL-THIOPHEN-2-YL)-ACETIC ACID, IMP-1 METALLO BETA-LACTAMASE, SULFATE 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: | 1999-11-08 | Release date: | 2000-11-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 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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1SI4
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![BU of 1si4 by Molmil](/molmil-images/mine/1si4) | Crystal structure of Human hemoglobin A2 (in R2 state) at 2.2 A resolution | Descriptor: | CYANIDE ION, Hemoglobin alpha chain, Hemoglobin delta chain, ... | Authors: | Sen, U, Dasgupta, J, Choudhury, D, Datta, P, Chakrabarti, A, Chakrabarty, S.B, Chakrabarty, A, Dattagupta, J.K. | Deposit date: | 2004-02-27 | Release date: | 2004-10-26 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of HbA2 and HbE and modeling of hemoglobin delta4: interpretation of the thermal stability and the antisickling effect of HbA2 and identification of the ferrocyanide binding site in Hb. Biochemistry, 43, 2004
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5DR2
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![BU of 5dr2 by Molmil](/molmil-images/mine/5dr2) | Aurora A Kinase in Complex with AA30 and ATP in Space Group P6122 | Descriptor: | 2-(3-bromophenyl)quinoline-4-carboxylic acid, ADENOSINE-5'-TRIPHOSPHATE, 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: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.46 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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5DRP
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![BU of 5drp by Molmil](/molmil-images/mine/5drp) | Structure of the AaLpxC/LPC-023 Complex | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, N~2~-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-N-hydroxy-L-isoleucinamide, ... | Authors: | Najeeb, J, Lee, C.-J, Zhou, P. | Deposit date: | 2015-09-16 | Release date: | 2016-03-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.889 Å) | Cite: | Drug design from the cryptic inhibitor envelope. Nat Commun, 7, 2016
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5XFT
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![BU of 5xft by Molmil](/molmil-images/mine/5xft) | |
6IAT
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![BU of 6iat by Molmil](/molmil-images/mine/6iat) | Icosahedrally averaged capsid of bacteriophage P68 | Descriptor: | Arstotzka protein, Major head protein | Authors: | Hrebik, D, Skubnik, K, Fuzik, T, Plevka, P. | Deposit date: | 2018-11-27 | Release date: | 2019-11-06 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structure and genome ejection mechanism ofStaphylococcus aureusphage P68. Sci Adv, 5, 2019
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2QWP
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![BU of 2qwp by Molmil](/molmil-images/mine/2qwp) | Crystal structure of disulfide-bond-crosslinked complex of bovine hsc70 (1-394aa)R171C and bovine Auxilin (810-910aa)D876C in the ADP*Pi form #2 | 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 (1.75 Å) | Cite: | Structural basis of J cochaperone binding and regulation of Hsp70. Mol.Cell, 28, 2007
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5DYR
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![BU of 5dyr by Molmil](/molmil-images/mine/5dyr) | Structure of virulence-associated protein D (VapD) from Xylella fastidiosa | Descriptor: | Virulence-associated protein D | Authors: | Kochneva, M.V, dos Santos, M.L, dos Santos, C.A, de Souza, A.P, Polikarpov, I, Aparicio, R, Golubev, A.M. | Deposit date: | 2015-09-25 | Release date: | 2016-01-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of virulence-associated protein D (VapD) from Xylella fastidiosa To Be Published
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1DMX
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![BU of 1dmx by Molmil](/molmil-images/mine/1dmx) | |
5XK3
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![BU of 5xk3 by Molmil](/molmil-images/mine/5xk3) | Crystal structure of apo form Isosesquilavandulyl Diphosphate Synthase from Streptomyces sp. strain CNH-189 | Descriptor: | SULFATE ION, Undecaprenyl diphosphate synthase | Authors: | Ko, T.P, Guo, R.T, Liu, W, Chen, C.C, Gao, J. | Deposit date: | 2017-05-05 | Release date: | 2018-01-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.996 Å) | Cite: | "Head-to-Middle" and "Head-to-Tail" cis-Prenyl Transferases: Structure of Isosesquilavandulyl Diphosphate Synthase. Angew. Chem. Int. Ed. Engl., 57, 2018
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1DNM
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![BU of 1dnm by Molmil](/molmil-images/mine/1dnm) | CRYSTAL STRUCTURE AND SEQUENCE-DEPENDENT CONFORMATION OF THE A.G MIS-PAIRED OLIGONUCLEOTIDE D(CGCAAGCTGGCG) | Descriptor: | DNA (5'-D(*CP*GP*CP*AP*AP*GP*CP*TP*GP*GP*CP*G)-3') | Authors: | Webster, G.D, Sanderson, M.R, Skelly, J.V, Neidle, S, Swann, P.F, Li, B.F, Tickle, I.J. | Deposit date: | 1990-06-22 | Release date: | 1991-07-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure and sequence-dependent conformation of the A.G mispaired oligonucleotide d(CGCAAGCTGGCG). Proc.Natl.Acad.Sci.USA, 87, 1990
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4KEA
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![BU of 4kea by Molmil](/molmil-images/mine/4kea) | Crystal structure of D196N mutant of Monoglyceride lipase from Bacillus sp. H257 in space group P212121 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Thermostable monoacylglycerol lipase | Authors: | Rengachari, S, Aschauer, P, Gruber, K, Dreveny, I, Oberer, M. | Deposit date: | 2013-04-25 | Release date: | 2013-09-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Conformational plasticity and ligand binding of bacterial monoacylglycerol lipase. J.Biol.Chem., 288, 2013
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