2C2Z
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![BU of 2c2z by Molmil](/molmil-images/mine/2c2z) | Crystal structure of caspase-8 in complex with aza-peptide Michael acceptor inhibitor | Descriptor: | AZA-PEPTIDE INHIBITOR (5S, 8R, 11S)-8-(2-CARBOXYETHYL) -14-[4-(3,4-DIHYDROQUINOLIN-1(2H)-YL)-4-OXOBUTANOYL] -11-[(1R)-1-HYDROXYETHYL]-5-(2-METHYLPROPYL)-3,6,9,12-TETRAOXO -1-PHENYL-2-OXA-4,7,10,13,14-PENTAAZAHEXADECAN-16-OIC ACID, ... | Authors: | Ganesan, R, Jelakovic, S, Ekici, O.D, Li, Z.Z, James, K.E, Asgian, J.L, Campbell, A.J, Mikolajczyk, J, Salvesen, G.S, Powers, J.C, Gruetter, M.G. | Deposit date: | 2005-10-02 | Release date: | 2006-09-20 | Last modified: | 2017-02-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Design, Synthesis, and Evaluation of Aza-Peptide Michael Acceptors as Selective and Potent Inhibitors of Caspases-2, -3, -6, -7, -8, -9, and - 10. J.Med.Chem., 49, 2006
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4JRP
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![BU of 4jrp by Molmil](/molmil-images/mine/4jrp) | Structure of E. coli Exonuclease I in complex with a 5cy-dT13 oligonucleotide | Descriptor: | 5cy-dT13, Exodeoxyribonuclease I, GLYCEROL, ... | Authors: | Bell, C.E. | Deposit date: | 2013-03-21 | Release date: | 2013-05-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structures of Escherichia coli exonuclease I in complex with single-stranded DNA provide insights into the mechanism of processive digestion. Nucleic Acids Res., 41, 2013
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1R5V
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![BU of 1r5v by Molmil](/molmil-images/mine/1r5v) | Evidence that structural rearrangements and/or flexibility during TCR binding can contribute to T-cell activation | Descriptor: | H-2 class II histocompatibility antigen, E-K alpha chain, MHC H2-IE-beta, ... | Authors: | Krogsgaard, M, Prado, N, Adams, E.J, He, X.L, Chow, D.C, Wilson, D.B, Garcia, K.C, Davis, M.M. | Deposit date: | 2003-10-13 | Release date: | 2004-02-03 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Evidence that structural rearrangements and/or flexibility during TCR binding can contribute to T cell activation. Mol.Cell, 12, 2003
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6MYF
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5YHL
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![BU of 5yhl by Molmil](/molmil-images/mine/5yhl) | Crystal structure of the human prostaglandin E receptor EP4 in complex with Fab and an antagonist Br-derivative | Descriptor: | 4-[2-[[(2R)-2-(4-bromanylnaphthalen-1-yl)propanoyl]amino]-4-cyano-phenyl]butanoic acid, Heavy chain of Fab fragment, Light chain of Fab fragment, ... | Authors: | Toyoda, Y, Morimoto, K, Suno, R, Horita, S, Iwata, S, Kobayashi, T. | Deposit date: | 2017-09-28 | Release date: | 2018-12-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (4.2 Å) | Cite: | Ligand binding to human prostaglandin E receptor EP4at the lipid-bilayer interface. Nat. Chem. Biol., 15, 2019
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2C7I
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![BU of 2c7i by Molmil](/molmil-images/mine/2c7i) | |
2C8M
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![BU of 2c8m by Molmil](/molmil-images/mine/2c8m) | |
2WN9
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![BU of 2wn9 by Molmil](/molmil-images/mine/2wn9) | Crystal structure of Aplysia ACHBP in complex with 4-0H-DMXBA | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(E)-5,6-DIHYDRO-2,3'-BIPYRIDIN-3(4H)-YLIDENEMETHYL]-3-METHOXYPHENOL, SOLUBLE ACETYLCHOLINE RECEPTOR, ... | Authors: | Sulzenbacher, G, Hibbs, R, Shi, J, Talley, T, Conrod, S, Kem, W, Taylor, P, Marchot, P, Bourne, Y. | Deposit date: | 2009-07-07 | Release date: | 2009-09-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural determinants for interaction of partial agonists with acetylcholine binding protein and neuronal alpha7 nicotinic acetylcholine receptor. Embo J., 28, 2009
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1KK1
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![BU of 1kk1 by Molmil](/molmil-images/mine/1kk1) | Structure of the large gamma subunit of initiation factor eIF2 from Pyrococcus abyssi-G235D mutant complexed with GDPNP-Mg2+ | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ZINC ION, ... | Authors: | Schmitt, E, Blanquet, S, Mechulam, Y. | Deposit date: | 2001-12-06 | Release date: | 2002-04-10 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The large subunit of initiation factor aIF2 is a close structural homologue of elongation factors. EMBO J., 21, 2002
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1SQ5
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![BU of 1sq5 by Molmil](/molmil-images/mine/1sq5) | Crystal Structure of E. coli Pantothenate kinase | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, PANTOTHENOIC ACID, Pantothenate kinase | Authors: | Ivey, R.A, Zhang, Y.-M, Virga, K.G, Hevener, K, Lee, R.E, Rock, C.O, Jackowski, S, Park, H.-W. | Deposit date: | 2004-03-17 | Release date: | 2004-09-28 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The structure of the pantothenate kinase.ADP.pantothenate ternary complex reveals the relationship between the binding sites for substrate, allosteric regulator, and antimetabolites. J.Biol.Chem., 279, 2004
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4IQ6
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![BU of 4iq6 by Molmil](/molmil-images/mine/4iq6) | Gsk-3beta with inhibitor 6-chloro-N-cyclohexyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine | Descriptor: | 6-chloro-N-cyclohexyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine, Glycogen synthase kinase-3 beta | Authors: | Tong, Y, Stewart, K.D, Florjancic, A.S, Harlan, J.E, Merta, P.J, Przytulinska, M, Soni, N, Swinger, K.S, Zhu, H, Johnson, E.F, Shoemaker, A.R, Penning, T.D. | Deposit date: | 2013-01-10 | Release date: | 2013-04-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.12 Å) | Cite: | Azaindole-Based Inhibitors of Cdc7 Kinase: Impact of the Pre-DFG Residue, Val 195. ACS Med Chem Lett, 4, 2013
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4BJQ
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![BU of 4bjq by Molmil](/molmil-images/mine/4bjq) | Crystal structure of E. coli penicillin binding protein 3, domain V88- S165 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PENICILLIN BINDING PROTEIN TRANSPEPTIDASE DOMAIN PROTEIN, SULFATE ION | Authors: | Sauvage, E, Joris, M, Herman, R, Kerff, F, Rocaboy, M, Charlier, P. | Deposit date: | 2013-04-19 | Release date: | 2014-05-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of Penicillin-Binding Protein 3 (Pbp3) from Escherichia Coli. Plos One, 9, 2014
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3BEP
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![BU of 3bep by Molmil](/molmil-images/mine/3bep) | Structure of a sliding clamp on DNA | Descriptor: | 1-(3-hydroxypropyl)-2-{(1E,3E,5E)-5-[1-(3-hydroxypropyl)-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene]penta-1,3-dien-1-y l}-3,3-dimethyl-3H-indolium, DNA (5'-D(*DTP*DTP*DTP*DTP*DAP*DTP*DAP*DCP*DGP*DAP*DTP*DGP*DGP*DG)-3'), DNA (5'-D(P*DCP*DCP*DCP*DAP*DTP*DCP*DGP*DTP*DAP*DT)-3'), ... | Authors: | Georgescu, R.E, Kim, S.S, Yurieva, O, Kuriyan, J, Kong, X.-P, O'Donnell, M. | Deposit date: | 2007-11-19 | Release date: | 2008-01-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structure of a sliding clamp on DNA Cell(Cambridge,Mass.), 132, 2008
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1YDP
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![BU of 1ydp by Molmil](/molmil-images/mine/1ydp) | 1.9A crystal structure of HLA-G | Descriptor: | Beta-2-microglobulin, CHLORIDE ION, COBALT (II) ION, ... | Authors: | Clements, C.S, Kjer-nielsen, L, Kostenko, L, Hoare, H.L, Dunstone, M.A, Moses, E, Freed, K, Brooks, A.G, Rossjohn, J, Mccluskey, J. | Deposit date: | 2004-12-25 | Release date: | 2005-03-08 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of HLA-G: A nonclassical MHC class I molecule expressed at the fetal-maternal interface PROC.NATL.ACAD.SCI.USA, 102, 2005
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5AGW
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![BU of 5agw by Molmil](/molmil-images/mine/5agw) | Bcl-2 alpha beta-1 complex | Descriptor: | APOPTOSIS REGULATOR BCL-2, BCL-2-LIKE PROTEIN 1, BCL-2-LIKE PROTEIN 11 | Authors: | Smith, B.J, F Lee, E, Checco, J.W, Gellman, S.H, Fairlie, W.D. | Deposit date: | 2015-02-04 | Release date: | 2015-09-09 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.695 Å) | Cite: | Alpha Beta Peptide Foldamers Targeting Intracellular Protein-Protein Interactions with Activity on Living Cells J.Am.Chem.Soc., 137, 2015
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8JDW
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1XHO
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![BU of 1xho by Molmil](/molmil-images/mine/1xho) | Chorismate mutase from Clostridium thermocellum Cth-682 | Descriptor: | Chorismate mutase, UNKNOWN ATOM OR ION | Authors: | Xu, H, Chen, L, Lee, D, Habel, J.E, Nguyen, J, Chang, S.-H, Kataeva, I, Chang, J, Zhao, M, Yang, H, Horanyi, P, Florence, Q, Tempel, W, Zhou, W, Lin, D, Zhang, H, Praissman, J, Arendall III, W.B, Richardson, J.S, Richardson, D.C, Ljungdahl, L, Liu, Z.-J, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2004-09-20 | Release date: | 2004-11-23 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Away from the edge II: in-house Se-SAS phasing with chromium radiation. Acta Crystallogr.,Sect.D, 61, 2005
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4S39
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![BU of 4s39 by Molmil](/molmil-images/mine/4s39) | IspG in complex with HMBPP | Descriptor: | (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, GLYCEROL, ... | Authors: | Quitterer, F, Frank, A, Wang, K, Guodong, R, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M. | Deposit date: | 2015-01-26 | Release date: | 2015-04-29 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE). J.Mol.Biol., 427, 2015
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3FFO
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![BU of 3ffo by Molmil](/molmil-images/mine/3ffo) | F17b-G lectin domain with bound GlcNAc(beta1-2)man | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-beta-D-mannopyranose, Adhesin, ... | Authors: | Buts, L, De Boer, A, Olsson, J.D.M, Jonckheere, W, De Kerpel, M, De Genst, E, Guerardel, Y, Willaert, R, Wyns, L, Wuhrer, M, Oscarson, S, De Greve, H, Bouckaert, J. | Deposit date: | 2008-12-04 | Release date: | 2009-12-22 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Sampling of Glycan Interaction Profiles Reveals Mucosal Receptors for Fimbrial Adhesins of Enterotoxigenic Escherichia coli. Biology (Basel), 2, 2013
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1KK2
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![BU of 1kk2 by Molmil](/molmil-images/mine/1kk2) | Structure of the large gamma subunit of initiation factor eIF2 from Pyrococcus abyssi-G235D mutant complexed with GDP-Mg2+ | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ZINC ION, ... | Authors: | Schmitt, E, Blanquet, S, Mechulam, Y. | Deposit date: | 2001-12-06 | Release date: | 2002-04-10 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The large subunit of initiation factor aIF2 is a close structural homologue of elongation factors. EMBO J., 21, 2002
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1XJW
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![BU of 1xjw by Molmil](/molmil-images/mine/1xjw) | The Structure of E. coli Aspartate Transcarbamoylase Q137A Mutant in The R-State | Descriptor: | Aspartate carbamoyltransferase catalytic chain, Aspartate carbamoyltransferase regulatory chain, N-(PHOSPHONACETYL)-L-ASPARTIC ACID, ... | Authors: | Stieglitz, K.A, Alam, N, Xia, J, Gourinath, S, Tsuruta, H, Kantrowitz, E.R. | Deposit date: | 2004-09-25 | Release date: | 2005-05-24 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | A Single Amino Acid Substitution in the Active Site of Escherichia coli Aspartate Transcarbamoylase Prevents the Allosteric Transition. J.Mol.Biol., 349, 2005
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6MZ3
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![BU of 6mz3 by Molmil](/molmil-images/mine/6mz3) | mCherry pH sensitive mutant - M66T (mCherryTYG) | Descriptor: | PAmCherry1 protein | Authors: | Haynes, E.P, Tantama, M. | Deposit date: | 2018-11-03 | Release date: | 2019-10-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.088 Å) | Cite: | Quantifying Acute Fuel and Respiration Dependent pH Homeostasis in Live Cells Using the mCherryTYG Mutant as a Fluorescence Lifetime Sensor. Anal.Chem., 91, 2019
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5SYF
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![BU of 5syf by Molmil](/molmil-images/mine/5syf) | |
3NXV
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![BU of 3nxv by Molmil](/molmil-images/mine/3nxv) | Preferential Selection of Isomer Binding from Chiral Mixtures: Alternate Binding Modes Observed for the E- and Z-isomers of a Series of 5-Substituted 2,4-Diaminofuro[2,3-d]pyrimidines as Ternary Complexes with NADPH and Human Dihydrofolate Reductase | Descriptor: | 5-[(1E)-2-(2-methoxyphenyl)hex-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Cody, V. | Deposit date: | 2010-07-14 | Release date: | 2010-12-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Preferential selection of isomer binding from chiral mixtures: alternate binding modes observed for the E and Z isomers of a series of 5-substituted 2,4-diaminofuro[2,3-d]pyrimidines as ternary complexes with NADPH and human dihydrofolate reductase. Acta Crystallogr.,Sect.D, 66, 2010
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4TQ6
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![BU of 4tq6 by Molmil](/molmil-images/mine/4tq6) | Structure of a UbiA homolog from Archaeoglobus fulgidus bound to Cd2+ | Descriptor: | CADMIUM ION, prenyltransferase | Authors: | Huang, H, Levin, E.J, Bai, Y, Zhou, M, New York Consortium on Membrane Protein Structure (NYCOMPS) | Deposit date: | 2014-06-10 | Release date: | 2014-07-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.0678 Å) | Cite: | Structure of a Membrane-Embedded Prenyltransferase Homologous to UBIAD1. Plos Biol., 12, 2014
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