5E0B
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![BU of 5e0b by Molmil](/molmil-images/mine/5e0b) | Crystal structure of the complex of Peptidoglycan recognition protein PGRP-S with N-Acetyl Muramic acid at 2.6 A resolution | Descriptor: | GLYCEROL, L(+)-TARTARIC ACID, N-acetyl-beta-muramic acid, ... | Authors: | Sharma, P, Yamini, S, Dube, D, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2015-09-28 | Release date: | 2015-10-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of the complex of Peptidoglycan recognition protein PGRP-S with N-Acetyl Muramic acid at 2.6 A resolution To Be Published
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1NOG
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![BU of 1nog by Molmil](/molmil-images/mine/1nog) | Crystal Structure of Conserved Protein 0546 from Thermoplasma Acidophilum | Descriptor: | conserved hypothetical protein TA0546 | Authors: | Saridakis, V, Sanishvili, R, Iakounine, A, Xu, X, Pennycooke, M, Gu, J, Joachimiak, A, Arrowsmith, C.H, Edwards, A.M, Christendat, D, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2003-01-16 | Release date: | 2003-07-29 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | The structural basis for methylmalonic aciduria. The crystal structure of archaeal ATP:cobalamin adenosyltransferase. J.Biol.Chem., 279, 2004
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5E3O
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5E5X
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6N17
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![BU of 6n17 by Molmil](/molmil-images/mine/6n17) | Crystal structure of Tdp1 catalytic domain in complex with compound XZ577 | Descriptor: | 1,2-ETHANEDIOL, 4-[(3-carboxypropanoyl)amino]benzene-1,2-dicarboxylic acid, DIMETHYL SULFOXIDE, ... | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | Deposit date: | 2018-11-08 | Release date: | 2019-07-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.639 Å) | Cite: | Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening. Nucleic Acids Res., 47, 2019
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6NRC
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![BU of 6nrc by Molmil](/molmil-images/mine/6nrc) | hTRiC-hPFD Class3 | Descriptor: | Prefoldin subunit 1, Prefoldin subunit 2, Prefoldin subunit 3, ... | Authors: | Gestaut, D, Roh, S.H, Ma, B, Pintilie, G, Joachimiak, L.A, Leitner, A, Walzthoeni, T, Aebersold, R, Chiu, W, Frydman, J. | Deposit date: | 2019-01-23 | Release date: | 2019-06-19 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (8.3 Å) | Cite: | The Chaperonin TRiC/CCT Associates with Prefoldin through a Conserved Electrostatic Interface Essential for Cellular Proteostasis. Cell, 177, 2019
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5E7D
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![BU of 5e7d by Molmil](/molmil-images/mine/5e7d) | Crystal Structure of the fifth bromodomain of human PB1 in complex with a hydroxyphenyl ligand | Descriptor: | (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one, 1,2-ETHANEDIOL, Protein polybromo-1 | Authors: | Filippakopoulos, P, Picaud, S, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Owen, D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2015-10-12 | Release date: | 2016-10-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Crystal Structure of the fifth bromodomain of human PB1 in complex with a hydroxyphenyl ligand To Be Published
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5E2X
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![BU of 5e2x by Molmil](/molmil-images/mine/5e2x) | The crystal structure of the C-terminal domain of Ebola (Tai Forest) nucleoprotein | Descriptor: | NONAETHYLENE GLYCOL, NP | Authors: | Baker, L.E, Handing, K.B, Derewenda, U, Utepbergenov, D, Derewenda, Z.S. | Deposit date: | 2015-10-01 | Release date: | 2015-10-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Molecular architecture of the nucleoprotein C-terminal domain from the Ebola and Marburg viruses. Acta Crystallogr D Struct Biol, 72, 2016
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5BWN
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![BU of 5bwn by Molmil](/molmil-images/mine/5bwn) | Crystal Structure of SIRT3 with a H3K9 Peptide Containing a Myristoyl Lysine | Descriptor: | NAD-dependent protein deacetylase sirtuin-3, mitochondrial, ZINC ION, ... | Authors: | Gai, W, Liu, D. | Deposit date: | 2015-06-08 | Release date: | 2016-07-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.942 Å) | Cite: | Crystal structures of SIRT3 reveal that the alpha 2-alpha 3 loop and alpha 3-helix affect the interaction with long-chain acyl lysine. Febs Lett., 590, 2016
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2XTP
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6NM2
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![BU of 6nm2 by Molmil](/molmil-images/mine/6nm2) | NMR Structure of WW291 | Descriptor: | WW291 peptide | Authors: | Wang, G, Zarena, D. | Deposit date: | 2019-01-10 | Release date: | 2020-07-15 | Last modified: | 2020-09-09 | Method: | SOLUTION NMR | Cite: | The pi Configuration of the WWW Motif of a Short Trp-Rich Peptide Is Critical for Targeting Bacterial Membranes, Disrupting Preformed Biofilms, and Killing Methicillin-Resistant Staphylococcus aureus. Biochemistry, 56, 2017
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5BYZ
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![BU of 5byz by Molmil](/molmil-images/mine/5byz) | ERK5 in complex with small molecule | Descriptor: | 4-({5-fluoro-4-[2-methyl-1-(propan-2-yl)-1H-imidazol-5-yl]pyrimidin-2-yl}amino)-N-[2-(piperidin-1-yl)ethyl]benzamide, GLYCEROL, Mitogen-activated protein kinase 7 | Authors: | Chen, H, Tucker, J, Wang, X, Gavine, P.R, Philips, C, Augustin, M.A, Schreiner, P, Steinbacher, S, Preston, M, Ogg, D. | Deposit date: | 2015-06-11 | Release date: | 2016-05-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Discovery of a novel allosteric inhibitor-binding site in ERK5: comparison with the canonical kinase hinge ATP-binding site. Acta Crystallogr D Struct Biol, 72, 2016
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5C2T
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![BU of 5c2t by Molmil](/molmil-images/mine/5c2t) | Crystal structure of Mitochondrial rhodoquinol-fumarate reductase from Ascaris suum with rhodoquinone-2 | Descriptor: | 2-amino-5-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-3-methoxy-6-methylcyclohexa-2,5-diene-1,4-dione, Cytochrome b-large subunit, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Harada, S, Shiba, T, Sato, D, Yamamoto, A, Nagahama, M, Yone, A, Inaoka, D.K, Sakamoto, K, Inoue, M, Honma, T, Kita, K. | Deposit date: | 2015-06-16 | Release date: | 2015-08-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structural Insights into the Molecular Design of Flutolanil Derivatives Targeted for Fumarate Respiration of Parasite Mitochondria Int J Mol Sci, 16, 2015
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6NQT
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![BU of 6nqt by Molmil](/molmil-images/mine/6nqt) | GalNac-T2 soaked with UDP-sugar | Descriptor: | MANGANESE (II) ION, Polypeptide N-acetylgalactosaminyltransferase 2, [[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R},6~{R})-3-(hex-5-ynoylamino)-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] hydrogen phosphate | Authors: | Fernandez, D, Bertozzi, C.R, Schumann, B, Agbay, A. | Deposit date: | 2019-01-21 | Release date: | 2020-01-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Bump-and-Hole Engineering Identifies Specific Substrates of Glycosyltransferases in Living Cells. Mol.Cell, 78, 2020
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5C65
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![BU of 5c65 by Molmil](/molmil-images/mine/5c65) | Structure of the human glucose transporter GLUT3 / SLC2A3 | Descriptor: | CHOLESTEROL HEMISUCCINATE, Octyl Glucose Neopentyl Glycol, Solute carrier family 2, ... | Authors: | Pike, A.C.W, Quigley, A, Chu, A, Tessitore, A, Xia, X, Mukhopadhyay, S, Wang, D, Kupinska, K, Strain-Damerell, C, Chalk, R, Burgess-Brown, N.A, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | Deposit date: | 2015-06-22 | Release date: | 2015-07-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structure of the human glucose transporter GLUT3 / SLC2A3 To Be Published
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5C7D
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![BU of 5c7d by Molmil](/molmil-images/mine/5c7d) | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 17 | Descriptor: | (2R)-4-[2-(6-chloro-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION | Authors: | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | Deposit date: | 2015-06-24 | Release date: | 2015-08-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP. J.Med.Chem., 58, 2015
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6NU5
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![BU of 6nu5 by Molmil](/molmil-images/mine/6nu5) | Pyruvate Kinase M2 Mutant - S437Y in Complex with L-cysteine | Descriptor: | 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CYSTEINE, ... | Authors: | Srivastava, D, Nandi, S, Dey, M. | Deposit date: | 2019-01-30 | Release date: | 2019-08-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Mechanistic and Structural Insights into Cysteine-Mediated Inhibition of Pyruvate Kinase Muscle Isoform 2. Biochemistry, 58, 2019
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5CCR
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![BU of 5ccr by Molmil](/molmil-images/mine/5ccr) | Human Cyclophilin D Complexed with Inhibitor | Descriptor: | DI(HYDROXYETHYL)ETHER, FORMIC ACID, POTASSIUM ION, ... | Authors: | Gibson, R.P, Shore, E, Kershaw, N, Awais, M, Javed, A, Latawiec, D, Pandalaneni, S, Wen, L, Berry, N, O'Neill, P, Sutton, R, Lian, L.Y. | Deposit date: | 2015-07-02 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Human Cyclophilin D Complexed with Inhibitor To Be Published
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6O2L
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5CDW
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![BU of 5cdw by Molmil](/molmil-images/mine/5cdw) | Crystal Structure Analysis of a mutant Grb2 SH2 domain (W121G) with a pYVNV peptide | Descriptor: | Growth factor receptor-bound protein 2, SER-PTR-VAL-ASN-VAL-GLN | Authors: | Papaioannou, D, Geibel, S, Kunze, M, Kay, C, Waksman, G. | Deposit date: | 2015-07-05 | Release date: | 2016-05-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.602 Å) | Cite: | Structural and biophysical investigation of the interaction of a mutant Grb2 SH2 domain (W121G) with its cognate phosphopeptide. Protein Sci., 25, 2016
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5CMN
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![BU of 5cmn by Molmil](/molmil-images/mine/5cmn) | FLRT3 LRR domain in complex with LPHN3 Olfactomedin domain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Latrophilin-3, ... | Authors: | Lu, Y, Salzman, G, Arac, D. | Deposit date: | 2015-07-17 | Release date: | 2015-08-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.605 Å) | Cite: | Structural Basis of Latrophilin-FLRT-UNC5 Interaction in Cell Adhesion. Structure, 23, 2015
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5COP
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![BU of 5cop by Molmil](/molmil-images/mine/5cop) | X-ray crystal structure of wild type HIV-1 protease in complex with GRL-097 | Descriptor: | (3R,3aS,4S,7aS)-3-hydroxyhexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-(4-methoxyphenyl)butan-2-yl]carbamate, HIV-1 protease | Authors: | Yedidi, R.S, Hayashi, H, Aoki, M, Das, D, Ghosh, A.K, Mitsuya, H. | Deposit date: | 2015-07-20 | Release date: | 2016-01-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | C-5-Modified Tetrahydropyrano-Tetrahydofuran-Derived Protease Inhibitors (PIs) Exert Potent Inhibition of the Replication of HIV-1 Variants Highly Resistant to Various PIs, including Darunavir. J.Virol., 90, 2015
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4NDY
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![BU of 4ndy by Molmil](/molmil-images/mine/4ndy) | Human MHF1-MHF2 DNA complex | Descriptor: | Centromere protein S, Centromere protein X, DNA (26-MER) | Authors: | Zhao, Q, Saro, D, Sachpatzidis, A, Sung, P, Xiong, Y. | Deposit date: | 2013-10-28 | Release date: | 2014-01-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (6.999 Å) | Cite: | The MHF complex senses branched DNA by binding a pair of crossover DNA duplexes. Nat Commun, 5, 2014
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1QP5
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![BU of 1qp5 by Molmil](/molmil-images/mine/1qp5) | BASE-PAIRING SHIFT IN A DODECAMER CONTAINING A (CA)N TRACT | Descriptor: | DNA (5'-D(*AP*CP*CP*GP*GP*CP*GP*CP*CP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*GP*GP*CP*GP*CP*CP*GP*GP*T)-3'), MAGNESIUM ION | Authors: | Timsit, Y, Vilbois, E, Moras, D. | Deposit date: | 1999-06-01 | Release date: | 1999-06-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Base-pairing shift in the major groove of (CA)n tracts by B-DNA crystal structures. Nature, 354, 1991
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2XSL
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![BU of 2xsl by Molmil](/molmil-images/mine/2xsl) | The crystal structure of a Thermus thermophilus tRNAGly acceptor stem microhelix at 1.6 Angstroem resolution | Descriptor: | 5'-R(*CP*UP*CP*CP*CP*GP*C)-3', 5'-R(*GP*CP*GP*GP*GP*AP*G)-3' | Authors: | Oberthuer, D, Eichert, A, Erdmann, V.A, Fuerste, J.P, Betzel, C, Foerster, C. | Deposit date: | 2010-10-29 | Release date: | 2011-08-10 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | The Crystal Structure of a Thermus Thermophilus tRNA(Gly) Acceptor Stem Microhelix at 1.6 A Resolution. Biochem.Biophys.Res.Commun., 404, 2011
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