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2C2Z
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BU of 2c2z by Molmil
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
4JRP
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BU of 4jrp by Molmil
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
1R5V
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BU of 1r5v by Molmil
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
6MYF
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BU of 6myf by Molmil
Crystal structure of free human Scribble PDZ1 domain
Descriptor: Protein scribble homolog
Authors:Sun, Y.J, Hou, T, Gakhar, L, Fuentes, E.J.
Deposit date:2018-11-01
Release date:2019-04-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:SGEF forms a complex with Scribble and Dlg1 and regulates epithelial junctions and contractility.
J.Cell Biol., 218, 2019
5YHL
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BU of 5yhl by Molmil
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
2C7I
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BU of 2c7i by Molmil
Structure of protein Ta0514, putative lipoate protein ligase from T. acidophilum.
Descriptor: PUTATIVE LIPOATE PROTEIN LIGASE
Authors:Mcmanus, E, Perham, R.N, Luisi, B.F.
Deposit date:2005-11-24
Release date:2005-12-15
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of a Putative Lipoate Protein Ligase from Thermoplasma Acidophilum and the Mechanism of Target Selection for Post-Translational Modification.
J.Mol.Biol., 356, 2006
2C8M
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BU of 2c8m by Molmil
Structure of protein Ta0514, putative lipoate protein ligase from T. acidophilum with bound lipoic acid
Descriptor: LIPOATE-PROTEIN LIGASE A, LIPOIC ACID
Authors:McManus, E, Perham, R.N, Luisi, B.F.
Deposit date:2005-12-06
Release date:2005-12-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structure of a Putative Lipoate Protein Ligase from Thermoplasma Acidophilum and the Mechanism of Target Selection for Post-Translational Modification.
J.Mol.Biol., 356, 2006
2WN9
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BU of 2wn9 by Molmil
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
1KK1
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BU of 1kk1 by Molmil
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
1SQ5
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BU of 1sq5 by Molmil
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
4IQ6
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BU of 4iq6 by Molmil
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
4BJQ
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BU of 4bjq by Molmil
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
3BEP
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BU of 3bep by Molmil
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
1YDP
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BU of 1ydp by Molmil
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
5AGW
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BU of 5agw by Molmil
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
8JDW
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BU of 8jdw by Molmil
CRYSTAL STRUCTURE OF HUMAN L-ARGININE:GLYCINE AMIDINOTRANSFERASE IN COMPLEX WITH L-ALANINE
Descriptor: ALANINE, PROTEIN (L-ARGININE:GLYCINE AMIDINOTRANSFERASE)
Authors:Fritsche, E, Humm, A, Huber, R.
Deposit date:1998-10-12
Release date:1999-02-09
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The ligand-induced structural changes of human L-Arginine:Glycine amidinotransferase. A mutational and crystallographic study.
J.Biol.Chem., 274, 1999
1XHO
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BU of 1xho by Molmil
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
4S39
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BU of 4s39 by Molmil
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
3FFO
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BU of 3ffo by Molmil
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
1KK2
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BU of 1kk2 by Molmil
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
1XJW
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BU of 1xjw by Molmil
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
6MZ3
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BU of 6mz3 by Molmil
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
5SYF
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BU of 5syf by Molmil
High-resolution cryo-EM reconstruction of Taxol-stabilized microtubule
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Kellogg, E.H, Nogales, E.
Deposit date:2016-08-11
Release date:2017-02-01
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Insights into the Distinct Mechanisms of Action of Taxane and Non-Taxane Microtubule Stabilizers from Cryo-EM Structures.
J. Mol. Biol., 429, 2017
3NXV
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BU of 3nxv by Molmil
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
4TQ6
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BU of 4tq6 by Molmil
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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