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PDB: 199 results

3RCL
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BU of 3rcl by Molmil
Human Cyclophilin D Complexed with a Fragment
Descriptor: 3-(1,3-oxazol-5-yl)aniline, O-ACETALDEHYDYL-HEXAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase F, ...
Authors:Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F.
Deposit date:2011-03-31
Release date:2012-03-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.
Nat Commun, 7, 2016
3R49
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Human cyclophilin D complexed with quinolin-8-amine
Descriptor: Peptidyl-prolyl cis-trans isomerase F, mitochondrial, quinolin-8-amine
Authors:Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F.
Deposit date:2011-03-17
Release date:2012-03-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.
Nat Commun, 7, 2016
5MLQ
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BU of 5mlq by Molmil
Structure of CDPS from Nocardia brasiliensis
Descriptor: CDPS, CITRIC ACID
Authors:Bourgeois, G, Seguin, J, Moutiez, M, Babin, M, Belin, P, Mechulam, Y, Gondry, M, Schmitt, E.
Deposit date:2016-12-07
Release date:2018-05-02
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.18 Å)
Cite:Structural basis for partition of the cyclodipeptide synthases into two subfamilies.
J.Struct.Biol., 203, 2018
3QYU
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BU of 3qyu by Molmil
Crystal structure of human cyclophilin D at 1.54 A resolution at room temperature
Descriptor: Peptidyl-prolyl cis-trans isomerase F
Authors:Colliandre, L, Gelin, M, Labesse, G, Guichou, J.-F.
Deposit date:2011-03-04
Release date:2011-08-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:In-plate protein crystallization, in situ ligand soaking and X-ray diffraction.
Acta Crystallogr.,Sect.D, 67, 2011
3QYZ
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BU of 3qyz by Molmil
Crystal structure of ERK2 in complex with an inhibitor
Descriptor: 5'-azido-8-bromo-5'-deoxyadenosine, BETA-MERCAPTOETHANOL, DIMETHYL SULFOXIDE, ...
Authors:Gelin, M, Pochet, S, Hoh, F, Pirochi, M, Guichou, J.-F, Ferrer, J.-L, Labesse, G.
Deposit date:2011-03-04
Release date:2011-08-24
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:In-plate protein crystallization, in situ ligand soaking and X-ray diffraction.
Acta Crystallogr.,Sect.D, 67, 2011
3RD9
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BU of 3rd9 by Molmil
Human Cyclophilin D Complexed with a Fragment
Descriptor: 3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonamide, DI(HYDROXYETHYL)ETHER, Peptidyl-prolyl cis-trans isomerase F, ...
Authors:Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F.
Deposit date:2011-04-01
Release date:2012-03-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.
Nat Commun, 7, 2016
3R59
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BU of 3r59 by Molmil
Human Cyclophilin D Complexed with a Fragment
Descriptor: 1-(3-aminophenyl)ethanone, Peptidyl-prolyl cis-trans isomerase F, mitochondrial
Authors:Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F.
Deposit date:2011-03-18
Release date:2012-03-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.
Nat Commun, 7, 2016
3RDA
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Human Cyclophilin D Complexed with a Fragment
Descriptor: 3-methyl-1,2-oxazol-5-amine, Peptidyl-prolyl cis-trans isomerase F, mitochondrial
Authors:Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F.
Deposit date:2011-04-01
Release date:2012-03-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.
Nat Commun, 7, 2016
3RDB
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Human Cyclophilin D Complexed with a Fragment
Descriptor: 3-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]aniline, O-ACETALDEHYDYL-HEXAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase F, ...
Authors:Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F.
Deposit date:2011-04-01
Release date:2012-03-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.
Nat Commun, 7, 2016
3R54
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BU of 3r54 by Molmil
Human Cyclophilin D Complexed with a Fragment
Descriptor: Peptidyl-prolyl cis-trans isomerase F, mitochondrial, pyrrolidine-1-carbaldehyde
Authors:Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F.
Deposit date:2011-03-18
Release date:2012-03-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.
Nat Commun, 7, 2016
3R2J
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BU of 3r2j by Molmil
Crystal Structure of PnC1 from L. infantum in complex with nicotinate
Descriptor: Alpha/beta-hydrolase-like protein, CHLORIDE ION, NICOTINIC ACID, ...
Authors:Gazanion, E, Garcia, D, Guichou, J.-F, Labesse, G, Sereno, D, Vergnes, B.
Deposit date:2011-03-14
Release date:2011-08-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:The Leishmania nicotinamidase is essential for NAD(+) production and parasite proliferation.
Mol.Microbiol., 82, 2011
3R56
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BU of 3r56 by Molmil
Human Cyclophilin D Complexed with a Fragment
Descriptor: 1H-indazol-6-amine, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Peptidyl-prolyl cis-trans isomerase F, ...
Authors:Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F.
Deposit date:2011-03-18
Release date:2012-03-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.
Nat Commun, 7, 2016
3RCK
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BU of 3rck by Molmil
Human Cyclophilin D Complexed with a Fragment
Descriptor: Peptidyl-prolyl cis-trans isomerase F, mitochondrial, piperazine-1-carbaldehyde
Authors:Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F.
Deposit date:2011-03-31
Release date:2012-03-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.
Nat Commun, 7, 2016
3RCI
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BU of 3rci by Molmil
Human cyclophilin D complexed with 5-methyl-1,2-oxazol-3-amine
Descriptor: 5-methyl-1,2-oxazol-3-amine, Peptidyl-prolyl cis-trans isomerase F, mitochondrial
Authors:Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F.
Deposit date:2011-03-31
Release date:2012-03-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.
Nat Commun, 7, 2016
3RDD
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BU of 3rdd by Molmil
Human Cyclophilin A Complexed with an Inhibitor
Descriptor: Peptidyl-prolyl cis-trans isomerase A, ethyl N-[(4-aminobenzyl)carbamoyl]glycinate
Authors:Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F.
Deposit date:2011-04-01
Release date:2012-03-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.
Nat Commun, 7, 2016
3O23
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BU of 3o23 by Molmil
Human unphosphorylated IGF1-R Kinase domain in complex with an hydantoin inhibitor
Descriptor: (5S)-5-methyl-1-(quinolin-4-ylmethyl)-3-{4-[(trifluoromethyl)sulfonyl]phenyl}imidazolidine-2,4-dione, Insulin-like growth factor 1 receptor
Authors:Maignan, S, Guilloteau, J.P, Dupuy, A.
Deposit date:2010-07-22
Release date:2011-05-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of the first non-ATP competitive IGF-1R kinase inhibitors: Advantages in comparison with competitive inhibitors
Bioorg.Med.Chem.Lett., 21, 2011
3RCG
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BU of 3rcg by Molmil
Human cyclophilin D complexed with dimethylformamide
Descriptor: CHLORIDE ION, DIMETHYLFORMAMIDE, Peptidyl-prolyl cis-trans isomerase F, ...
Authors:Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F.
Deposit date:2011-03-31
Release date:2012-03-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.
Nat Commun, 7, 2016
9C5E
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BU of 9c5e by Molmil
Covalent Complex Between Parkin Catalytic (Rcat) Domain and Ubiquitin
Descriptor: E3 ubiquitin-protein ligase parkin, Polyubiquitin-B, ZINC ION
Authors:Connelly, E.M, Rintala-Dempsey, A.C, Gundogdu, M, Freeman, E.A, Koszela, J, Aguirre, J.D, Zhu, G, Kamarainen, O, Tadayon, R, Walden, H, Shaw, G.S.
Deposit date:2024-06-06
Release date:2024-08-14
Last modified:2024-10-09
Method:SOLUTION NMR
Cite:Capturing the catalytic intermediates of parkin ubiquitination.
Proc.Natl.Acad.Sci.USA, 121, 2024
2LL6
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BU of 2ll6 by Molmil
Solution NMR structure of CaM bound to iNOS CaM binding domain peptide
Descriptor: Calmodulin, Nitric oxide synthase, inducible
Authors:Piazza, M, Futrega, K, Spratt, D.E, Dieckmann, T, Guillemette, J.G.
Deposit date:2011-10-29
Release date:2012-05-16
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure and Dynamics of Calmodulin (CaM) Bound to Nitric Oxide Synthase Peptides: Effects of a Phosphomimetic CaM Mutation.
Biochemistry, 51, 2012
2LL7
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BU of 2ll7 by Molmil
Solution NMR structure of CaM bound to the eNOS CaM binding domain peptide
Descriptor: Calmodulin, Nitric oxide synthase, endothelial
Authors:Piazza, M, Futrega, K, Spratt, D.E, Guillemette, J.G, Dieckmann, T.
Deposit date:2011-10-29
Release date:2012-05-16
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure and Dynamics of Calmodulin (CaM) Bound to Nitric Oxide Synthase Peptides: Effects of a Phosphomimetic CaM Mutation.
Biochemistry, 51, 2012
2LK9
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BU of 2lk9 by Molmil
Structure of BST-2/Tetherin Transmembrane Domain
Descriptor: Bone marrow stromal antigen 2
Authors:Skasko, M, Wang, Y, Tian, Y, Tokarev, A, Munguia, J, Ruiz, A, Stephens, E, Opella, S, Guatelli, J.
Deposit date:2011-10-07
Release date:2011-11-09
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:HIV-1 Vpu Protein Antagonizes Innate Restriction Factor BST-2 via Lipid-embedded Helix-Helix Interactions.
J.Biol.Chem., 287, 2012
4LT7
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BU of 4lt7 by Molmil
Crystal structure of the c2a domain of rabphilin-3a in complex with a calcium
Descriptor: CALCIUM ION, Rabphilin-3A
Authors:Verdaguer, N, Ferrer-Orta, C, Buxaderas, M, Corbalan-Garcia, S, Perez-Sanchez, D, Guerrero-Valero, M, Luengo, G, Pous, J, Guerra, P, Gomez-Fernandez, J.C, Guillen, J.
Deposit date:2013-07-23
Release date:2013-12-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insights into the Ca2+ and PI(4,5)P2 binding modes of the C2 domains of rabphilin 3A and synaptotagmin 1.
Proc.Natl.Acad.Sci.USA, 110, 2013
4N57
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BU of 4n57 by Molmil
Crystal structure of aminoglycoside phosphotransferase APH(2'')-IVa ADP complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, APH(2'')-Id, MAGNESIUM ION
Authors:Kaplan, E, Leban, N, Chaloin, L, Guichou, J.-F, Lionne, C.
Deposit date:2013-10-09
Release date:2014-12-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of aminoglycoside phosphotransferase APH(2'')-IVa ADP complex
To be Published
4Q24
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BU of 4q24 by Molmil
Crystal structure of Cyclo(L-leucyl-L-phenylalanyl) synthase
Descriptor: Cyclo(L-leucyl-L-phenylalanyl) synthase, PHENYLMETHYL N-[(2S)-4-CHLORO-3-OXO-1-PHENYL-BUTAN-2-YL]CARBAMATE
Authors:Moutiez, M, Schmitt, E, Seguin, J, Thai, R, Favry, E, Mechulam, Y, Gondry, M.
Deposit date:2014-04-07
Release date:2014-10-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Unravelling the mechanism of non-ribosomal peptide synthesis by cyclodipeptide synthases.
Nat Commun, 5, 2014

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