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2YOE
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BU of 2yoe by Molmil
X-ray structure of a pentameric ligand gated ion channel from Erwinia chrysanthemi (ELIC) in complex with GABA and flurazepam
Descriptor: CYS-LOOP LIGAND-GATED ION CHANNEL, Flurazepam, GAMMA-AMINO-BUTANOIC ACID
Authors:Spurny, R, Brams, M, Nury, H, Legrand, P, Ulens, C.
Deposit date:2012-10-23
Release date:2012-10-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Pentameric Ligand-Gated Ion Channel Elic is Activated by Gaba and Modulated by Benzodiazepines.
Proc.Natl.Acad.Sci.USA, 109, 2012
6AK2
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BU of 6ak2 by Molmil
Crystal structure of the syntenin PDZ1 domain in complex with the peptide inhibitor KSL-128018
Descriptor: Syntenin-1, peptide inhibitor KSL-128018
Authors:Jin, Z.Y, Park, J.H, Yun, J.H, Haugaard-Kedstrom, L.M, Lee, W.T.
Deposit date:2018-08-29
Release date:2019-09-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.868 Å)
Cite:A High-Affinity Peptide Ligand Targeting Syntenin Inhibits Glioblastoma.
J.Med.Chem., 64, 2021
6HWP
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BU of 6hwp by Molmil
Structure of A3_bGFPD, an artificial bi-domain protein based on two different alphaRep domains : A3 and a GFP binding domain (bGFPD)
Descriptor: A3_bGFPD, MALONATE ION, SODIUM ION
Authors:Li de la Sierra-Gallay, I, Leger, C.
Deposit date:2018-10-12
Release date:2018-10-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.547 Å)
Cite:Ligand-induced conformational switch in an artificial bidomain protein scaffold.
Sci Rep, 9, 2019
6S84
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BU of 6s84 by Molmil
TsaBDE complex from Thermotoga maritima
Descriptor: ATPase YjeE, predicted to have essential role in cell wall biosynthesis, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ...
Authors:Missoury, S, Li-de-La-Sierra-Gallay, I, van Tilbeurgh, H.
Deposit date:2019-07-08
Release date:2019-07-17
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:The structure of the TsaB/TsaD/TsaE complex reveals an unexpected mechanism for the bacterial t6A tRNA-modification.
Nucleic Acids Res., 46, 2018
6HJY
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BU of 6hjy by Molmil
X-ray structure of a pentameric ligand gated ion channel from Erwinia chrysanthemi (ELIC) Delta8 truncation mutant in complex with nanobody 72
Descriptor: Cys-loop ligand-gated ion channel, nanobody 72
Authors:Spurny, R, Govaerts, C, Evans, G.L, Pardon, E, Steyaert, J, Ulens, C.
Deposit date:2018-09-04
Release date:2019-10-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:A lipid site shapes the agonist response of a pentameric ligand-gated ion channel.
Nat.Chem.Biol., 15, 2019
5LPR
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BU of 5lpr by Molmil
STRUCTURAL BASIS FOR BROAD SPECIFICITY IN ALPHA-LYTIC PROTEASE MUTANTS
Descriptor: ALPHA-LYTIC PROTEASE, METHOXYSUCCINYL-ALA-ALA-PRO-ALANINE BORONIC ACID INHIBITOR, SULFATE ION
Authors:Fujishige, A, Bone, R, Agard, D.A.
Deposit date:1991-08-05
Release date:1993-01-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structural basis for broad specificity in alpha-lytic protease mutants.
Biochemistry, 30, 1991
6HJX
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BU of 6hjx by Molmil
X-ray structure of a pentameric ligand gated ion channel from Erwinia chrysanthemi (ELIC) 7'C pore mutant (L238C) in complex with nanobody 72
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cys-loop ligand-gated ion channel, DODECYL-BETA-D-MALTOSIDE, ...
Authors:Spurny, R, Govaerts, C, Evans, G.L, Pardon, E, Steyaert, J, Ulens, C.
Deposit date:2018-09-04
Release date:2019-10-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A lipid site shapes the agonist response of a pentameric ligand-gated ion channel.
Nat.Chem.Biol., 15, 2019
6FT5
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BU of 6ft5 by Molmil
Structure of A3_A3, an artificial bi-domain protein based on two identical alphaRep A3 domains
Descriptor: GLYCEROL, SULFATE ION, alphaRep A3_A3
Authors:Li de la Sierra-Gallay, I, Leger, C, Di Meo, T.
Deposit date:2018-02-20
Release date:2018-08-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Ligand-induced conformational switch in an artificial bidomain protein scaffold.
Sci Rep, 9, 2019
5NBK
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BU of 5nbk by Molmil
NDM-1 metallo-beta-lactamase: a parsimonious interpretation of the diffraction data
Descriptor: CHLORIDE ION, HEXAETHYLENE GLYCOL, Metallo-beta-lactamase type 2, ...
Authors:Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A.
Deposit date:2017-03-02
Release date:2018-10-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A close look onto structural models and primary ligands of metallo-beta-lactamases.
Drug Resist. Updat., 40, 2018
2XQB
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BU of 2xqb by Molmil
Crystal Structure of anti-IL-15 Antibody in Complex with human IL-15
Descriptor: ANTI-IL-15 ANTIBODY, INTERLEUKIN 15, SULFATE ION
Authors:Lowe, D.C, Gerhardt, S, Ward, A, Hargreaves, D, Anderson, M, StGallay, S, Vousden, K, Ferraro, F, Pauptit, R.A, Cochrane, D, Pattison, D.V, Buchanan, C, Popovic, B, Finch, D.K, Wilkinson, T, Sleeman, M, Vaughan, T.J, Cruwys, S, Mallinder, P.R.
Deposit date:2010-09-01
Release date:2010-12-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Engineering a High Affinity Anti-Il-15 Antibody: Crystal Structure Reveals an Alpha-Helix in Vh Cdr3 as Key Component of Paratope.
J.Mol.Biol., 406, 2011
2H36
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BU of 2h36 by Molmil
Structure of ORF14 from Sulfolobus Islandicus Filamentous Virus (SIFV)
Descriptor: Hypothetical protein SIFV0014
Authors:Goulet, A, Spinelli, S, Cambillau, C.
Deposit date:2006-05-22
Release date:2007-06-05
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:The crystal structure of ORF14 from Sulfolobus islandicus filamentous virus
Proteins, 76, 2009
6BXI
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BU of 6bxi by Molmil
X-ray crystal structure of NDR1 kinase domain
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase 38
Authors:Xiong, S, Sicheri, F.
Deposit date:2017-12-18
Release date:2018-08-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis for Auto-Inhibition of the NDR1 Kinase Domain by an Atypically Long Activation Segment.
Structure, 26, 2018
2MIO
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BU of 2mio by Molmil
Solution NMR Structure of SH3 Domain 1 of Rho GTPase-activating Protein 10 from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR9129A
Descriptor: Rho GTPase-activating protein 10
Authors:Xu, X, Eletsky, A, Pulavarti, S.V.S.R.K, Wang, H, Janjua, H, Xiao, R, Everett, J.K, Sukumaran, D.K, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-12-16
Release date:2014-01-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution NMR Structure of SH3 Domain 1 of Rho GTPase-activating Protein 10 from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR9129A
To be Published
6C5B
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BU of 6c5b by Molmil
Crystal Structure Analysis of LaPhzM
Descriptor: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, FORMIC ACID, Methyltransferase, ...
Authors:Beltran, D.G, Schacht, A, Zhang, L.
Deposit date:2018-01-15
Release date:2018-03-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Functional and Structural Analysis of Phenazine O-Methyltransferase LaPhzM from Lysobacter antibioticus OH13 and One-Pot Enzymatic Synthesis of the Antibiotic Myxin.
ACS Chem. Biol., 13, 2018
2NV5
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BU of 2nv5 by Molmil
Crystal structure of a C-terminal phosphatase domain of Rattus norvegicus ortholog of human protein tyrosine phosphatase, receptor type, D (PTPRD)
Descriptor: PTPRD, PHOSPHATASE
Authors:Bonanno, J.B, Gilmore, J, Bain, K.T, Iizuka, M, Xu, W, Wasserman, S, Smith, D, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2006-11-10
Release date:2006-11-21
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural genomics of protein phosphatases.
J.STRUCT.FUNCT.GENOM., 8, 2007
7PSZ
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BU of 7psz by Molmil
Crystal structure of CaM in complex with CDZ (form 1)
Descriptor: 1-[bis(4-chlorophenyl)methyl]-3-[(2~{R})-2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole, CALCIUM ION, Calmodulin-1, ...
Authors:Mechaly, A.E, Leger, C, Haouz, A, Chenal, A.
Deposit date:2021-09-24
Release date:2022-08-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.898 Å)
Cite:Dynamics and structural changes of calmodulin upon interaction with the antagonist calmidazolium.
Bmc Biol., 20, 2022
7PU9
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BU of 7pu9 by Molmil
Crystal structure of CaM in complex with CDZ (form 2)
Descriptor: 1-[bis(4-chlorophenyl)methyl]-3-[(2~{R})-2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole, CALCIUM ION, Calmodulin-1
Authors:Mechaly, A.E, Leger, C, Haouz, A, Chenal, A.
Deposit date:2021-09-28
Release date:2022-08-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.279 Å)
Cite:Dynamics and structural changes of calmodulin upon interaction with the antagonist calmidazolium.
Bmc Biol., 20, 2022
5VDB
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BU of 5vdb by Molmil
Crystal structure of a GNAT superfamily acetyltransferase PA4794 in complex with bisubstrate analog 3
Descriptor: (3R,5S,9R,26S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,20-trioxo-26-({[(phenylacetyl)amino]acetyl}amino)-2,4,6-trioxa-18-thia-11,15,21-triaza-3,5-diphosphaheptacosan-27-oic acid 3,5-dioxide (non-preferred name), SULFATE ION, acetyltransferase PA4794
Authors:Majorek, K.A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2017-04-01
Release date:2017-07-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Generating enzyme and radical-mediated bisubstrates as tools for investigating Gcn5-related N-acetyltransferases.
FEBS Lett., 591, 2017
2P8E
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BU of 2p8e by Molmil
Crystal structure of the serine/threonine phosphatase domain of human PPM1B
Descriptor: MAGNESIUM ION, PPM1B beta isoform variant 6
Authors:Bonanno, J.B, Freeman, J, Bain, K.T, Lau, C, Xu, W, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-03-22
Release date:2007-04-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.816 Å)
Cite:Structural genomics of protein phosphatases.
J.Struct.Funct.Genom., 8, 2007
2R0B
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BU of 2r0b by Molmil
Crystal structure of human tyrosine phosphatase-like serine/threonine/tyrosine-interacting protein
Descriptor: GLYCEROL, SULFATE ION, Serine/threonine/tyrosine-interacting protein
Authors:Bonanno, J.B, Freeman, J, Bain, K.T, Iizuka, M, Romero, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-08-18
Release date:2007-08-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural genomics of protein phosphatases.
J.Struct.Funct.Genom., 8, 2007
3LTM
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BU of 3ltm by Molmil
Structure of a new family of artificial alpha helicoidal repeat proteins (alpha-Rep) based on thermostable HEAT-like repeats
Descriptor: Alpha-Rep4, DODECAETHYLENE GLYCOL, GLYCEROL, ...
Authors:Urvoas, A, Guellouz, A, Graille, M, van Tilbeurgh, H, Desmadril, M, Minard, P.
Deposit date:2010-02-16
Release date:2010-10-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Design, production and molecular structure of a new family of artificial alpha-helicoidal repeat proteins ( alpha Rep) based on thermostable HEAT-like repeats
J.Mol.Biol., 404, 2010
3C6B
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BU of 3c6b by Molmil
Reaction product of paraoxon and S-formylglutathione hydrolase W197I mutant
Descriptor: S-formylglutathione hydrolase
Authors:Legler, P.M, Millard, C.B.
Deposit date:2008-02-04
Release date:2008-08-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Structural characterization and reversal of the natural organophosphate resistance of a D-type esterase, Saccharomyces cerevisiae S-formylglutathione hydrolase.
Biochemistry, 47, 2008
3LTJ
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BU of 3ltj by Molmil
Structure of a new family of artificial alpha helicoidal repeat proteins (alpha-Rep) based on thermostable HEAT-like repeats
Descriptor: AlphaRep-4
Authors:Urvoas, A, Guellouz, A, Graille, M, van Tilbeurgh, H, Desmadril, M, Minard, P.
Deposit date:2010-02-16
Release date:2010-10-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design, production and molecular structure of a new family of artificial alpha-helicoidal repeat proteins ( alpha Rep) based on thermostable HEAT-like repeats
J.Mol.Biol., 404, 2010
5LXL
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BU of 5lxl by Molmil
NMR structure of the N-terminal domain of the Bacteriophage T5 decoration protein pb10
Descriptor: Decoration protein
Authors:Vernhes, E, Gilquin, B, Cuniasse, P, Boulanger, P, Zinn-Justin, S.
Deposit date:2016-09-22
Release date:2017-04-19
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:High affinity anchoring of the decoration protein pb10 onto the bacteriophage T5 capsid.
Sci Rep, 7, 2017
8C78
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BU of 8c78 by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound CCT374705
Descriptor: (2~{S})-10-[(3-chloranyl-2-fluoranyl-pyridin-4-yl)amino]-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-2,4-dihydro-1~{H}-[1,4]oxazepino[2,3-c]quinolin-6-one, 1,2-ETHANEDIOL, B-cell lymphoma 6 protein, ...
Authors:Le Bihan, Y.-V, van Montfort, R.L.M.
Deposit date:2023-01-13
Release date:2023-04-26
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of an In Vivo Chemical Probe for BCL6 Inhibition by Optimization of Tricyclic Quinolinones.
J.Med.Chem., 66, 2023

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