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5I5L
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BU of 5i5l by Molmil
The photosensory module (PAS-GAF-PHY) of the bacterial phytochrome Agp1 (AtBphP1) in the Pr form, chromophore modelled with an endocyclic double bond in pyrrole ring A
Descriptor: BILIVERDINE IX ALPHA, Bacteriophytochrome protein, CALCIUM ION, ...
Authors:Nagano, S, Scheerer, P, Zubow, K, Lamparter, T, Krauss, N.
Deposit date:2016-02-15
Release date:2016-08-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The Crystal Structures of the N-terminal Photosensory Core Module of Agrobacterium Phytochrome Agp1 as Parallel and Anti-parallel Dimers.
J.Biol.Chem., 291, 2016
5I86
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BU of 5i86 by Molmil
Crystal structure of the bromodomain of human CREBBP bound to the benzodiazepinone G02778174
Descriptor: (4R)-N-benzyl-4-methyl-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-6-carboxamide, 1,2-ETHANEDIOL, CREB-binding protein, ...
Authors:Jayaram, H, Poy, F, Setser, J.W, Bellon, S.F.
Deposit date:2016-02-18
Release date:2016-04-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637).
Acs Med.Chem.Lett., 7, 2016
3O1D
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BU of 3o1d by Molmil
Structure-function study of Gemini derivatives with two different side chains at C-20, Gemini-0072 and Gemini-0097.
Descriptor: (1R,3R,7E,17beta)-17-[(1S)-6,6,6-trifluoro-5-hydroxy-1-(4-hydroxy-4-methylpentyl)-5-(trifluoromethyl)hex-3-yn-1-yl]-9,10-secoestra-5,7-diene-1,3-diol, Nuclear receptor coactivator 2, Vitamin D3 receptor A
Authors:Huet, T, Moras, D, Rochel, N.
Deposit date:2010-07-21
Release date:2011-07-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4007 Å)
Cite:Structure-function study of gemini derivatives with two different side chains at C-20, Gemini-0072 and Gemini-0097.
Medchemcomm, 2, 2011
4X7Q
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BU of 4x7q by Molmil
PIM2 kinase in complex with Compound 1s
Descriptor: 2-(2,6-difluorophenyl)-N-{4-[(3S)-pyrrolidin-3-yloxy]pyridin-3-yl}-1,3-thiazole-4-carboxamide, PHOSPHATE ION, Serine/threonine-protein kinase pim-2
Authors:Marcotte, D.J, Silvian, L.F.
Deposit date:2014-12-09
Release date:2015-02-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structure-based design of low-nanomolar PIM kinase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
5WE1
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BU of 5we1 by Molmil
Structural Basis for Shelterin Bridge Assembly
Descriptor: Protection of telomeres protein poz1,Protection of telomeres protein poz1, Protection of telomeres protein tpz1, ZINC ION
Authors:Kim, J.-K, Liu, J, Hu, X, Yu, C, Roskamp, K, Sankaran, B, Huang, L, Komives, E.-A, Qiao, F.
Deposit date:2017-07-06
Release date:2017-12-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.202 Å)
Cite:Structural Basis for Shelterin Bridge Assembly.
Mol. Cell, 68, 2017
3OBH
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BU of 3obh by Molmil
X-ray crystal structure of protein SP_0782 (7-79) from Streptococcus pneumoniae. Northeast Structural Genomics Consortium Target SpR104
Descriptor: ACETIC ACID, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Kuzin, A, Abashidze, M, Lew, S, Seetharaman, J, Patel, P, Xiao, R, Ciccosanti, C, Lee, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2010-08-06
Release date:2010-09-15
Last modified:2012-02-22
Method:X-RAY DIFFRACTION (1.891 Å)
Cite:X-ray crystal structure of protein SP_0782 (7-79) from Streptococcus pneumoniae. Northeast Structural Genomics Consortium Target SpR104
To be Published
4X1B
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BU of 4x1b by Molmil
Human serum transferrin with ferric ion bound at the C-lobe only
Descriptor: FE (III) ION, GLYCEROL, MALONATE ION, ...
Authors:Wang, M, Zhang, H, Sun, H.
Deposit date:2014-11-24
Release date:2015-04-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:"Anion clamp" allows flexible protein to impose coordination geometry on metal ions
Chem.Commun.(Camb.), 51, 2015
5WQ0
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BU of 5wq0 by Molmil
Receiver domain of Spo0A from Paenisporosarcina sp. TG-14
Descriptor: MAGNESIUM ION, Stage 0 sporulation protein
Authors:Lee, J.H, Lee, C.W.
Deposit date:2016-11-22
Release date:2017-03-22
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.604 Å)
Cite:Crystal structure of the inactive state of the receiver domain of Spo0A from Paenisporosarcina sp. TG-14, a psychrophilic bacterium isolated from an Antarctic glacier
J. Microbiol., 55, 2017
5I62
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BU of 5i62 by Molmil
Crystal structure of the insertion loop deletion mutant of the RNA-dependent RNA polymerase of a human picorbirnavirus
Descriptor: Potential RNA-dependent RNA polymerase
Authors:Collier, A.M, Guo, Y.R, Tao, Y.J.
Deposit date:2016-02-15
Release date:2016-03-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Initiation of RNA Polymerization and Polymerase Encapsidation by a Small dsRNA Virus.
Plos Pathog., 12, 2016
5IPD
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BU of 5ipd by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) nucleoside thiophosphoramidate covalent intermediate complex
Descriptor: 5'-S-phosphono-5'-thioguanosine, Histidine triad nucleotide-binding protein 1
Authors:Maize, K.M, Finzel, B.C.
Deposit date:2016-03-09
Release date:2017-03-15
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Caught before Released: Structural Mapping of the Reaction Trajectory for the Sofosbuvir Activating Enzyme, Human Histidine Triad Nucleotide Binding Protein 1 (hHint1).
Biochemistry, 56, 2017
4WZM
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BU of 4wzm by Molmil
Mutant K18E of RNA dependent RNA polymerase from Foot-and-Mouth Disease Virus complexed with RNA
Descriptor: ACETATE ION, GLYCEROL, MANGANESE (II) ION, ...
Authors:Verdaguer, N, Ferrer-Orta, C, de la Higuera, N.
Deposit date:2014-11-20
Release date:2015-05-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Multifunctionality of a picornavirus polymerase domain: nuclear localization signal and nucleotide recognition.
J.Virol., 89, 2015
4X9D
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BU of 4x9d by Molmil
High-resolution structure of Hfq from Methanococcus jannaschii in complex with UMP
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Nikulin, A.D, Tishchenko, S.V, Nikonova, E.Y, Murina, V.N, Mihailina, A.O, Lekontseva, N.V.
Deposit date:2014-12-11
Release date:2015-12-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Characterization of RNA-binding properties of the archaeal Hfq-like protein from Methanococcus jannaschii.
J. Biomol. Struct. Dyn., 35, 2017
2P8D
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BU of 2p8d by Molmil
The Structure of the Dickerson Sequence with an Incorporated CeNA Residue
Descriptor: 5'-D(*DCP*DGP*DCP*DGP*DAP*(XAR)P*DTP*DTP*DCP*DGP*DCP*DG)-3', COBALT HEXAMMINE(III)
Authors:Robeyns, K, Van Meervelt, L.
Deposit date:2007-03-22
Release date:2008-02-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Influence of the incorporation of a cyclohexenyl nucleic acid (CeNA) residue onto the sequence d(CGCGAATTCGCG).
Nucleic Acids Res., 36, 2008
5IPB
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BU of 5ipb by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) H112N mutant
Descriptor: CHLORIDE ION, Histidine triad nucleotide-binding protein 1
Authors:Maize, K.M, Finzel, B.C.
Deposit date:2016-03-09
Release date:2017-03-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Caught before Released: Structural Mapping of the Reaction Trajectory for the Sofosbuvir Activating Enzyme, Human Histidine Triad Nucleotide Binding Protein 1 (hHint1).
Biochemistry, 56, 2017
4WZQ
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BU of 4wzq by Molmil
Mutant K20E of RNA dependent RNA polymerase 3D from Foot-and-Mouth disease Virus complexed with RNA
Descriptor: MANGANESE (II) ION, RNA dependent-RNA polymerase 3D, RNA template, ...
Authors:Verdaguer, N, Ferrer-Orta, C.
Deposit date:2014-11-20
Release date:2015-05-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Multifunctionality of a picornavirus polymerase domain: nuclear localization signal and nucleotide recognition.
J.Virol., 89, 2015
1QYM
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BU of 1qym by Molmil
X-ray structure of human gankyrin
Descriptor: 26S proteasome non-ATPase regulatory subunit 10
Authors:Manjasetty, B.A, Quedenau, C, Sievert, V, Buessow, K, Niesen, F, Delbrueck, H, Heinemann, U.
Deposit date:2003-09-11
Release date:2003-11-18
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:X-ray structure of human gankyrin, the product of a gene linked to hepatocellular carcinoma.
Proteins, 55, 2004
3NSP
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BU of 3nsp by Molmil
Crystal structure of tetrameric RXRalpha-LBD
Descriptor: Retinoid X receptor, alpha
Authors:Zhang, H, Hu, T, Li, L, Zhou, R, Chen, L, Hu, L, Jiang, H, Shen, X.
Deposit date:2010-07-02
Release date:2010-11-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Danthron functions as a retinoic X receptor antagonist by stabilizing tetramers of the receptor.
J.Biol.Chem., 286, 2011
3GWX
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BU of 3gwx by Molmil
MOLECULAR RECOGNITION OF FATTY ACIDS BY PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS
Descriptor: 5,8,11,14,17-EICOSAPENTAENOIC ACID, PROTEIN (PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR (PPAR-DELTA))
Authors:Xu, H.E, Lambert, M.H, Montana, V.G, Parks, D.J, Blanchard, S.G, Brown, P.J, Sternbach, D.D, Lehmann, J.M, Wisely, G.B, Willson, T.M, Kliewer, S.A, Milburn, M.V.
Deposit date:1999-04-26
Release date:2000-04-26
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular recognition of fatty acids by peroxisome proliferator-activated receptors.
Mol.Cell, 3, 1999
6OMB
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BU of 6omb by Molmil
Cdc48 Hexamer (Subunits A to E) with substrate bound to the central pore
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Cell division control protein 48, ...
Authors:Cooney, I, Han, H, Stewart, M, Carson, R.H, Hansen, D, Price, J.C, Hill, C.P, Shen, P.S.
Deposit date:2019-04-18
Release date:2019-07-17
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structure of the Cdc48 segregase in the act of unfolding an authentic substrate.
Science, 365, 2019
3O1E
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BU of 3o1e by Molmil
Structure-function of Gemini derivatives with two different side chains at C-20, Gemini-0072 and Gemini-0097.
Descriptor: (1R,3R,7E,17beta)-17-[(1R)-6,6,6-trifluoro-5-hydroxy-1-(4-hydroxy-4-methylpentyl)-5-(trifluoromethyl)hex-3-yn-1-yl]-9,1 0-secoestra-5,7-diene-1,3-diol, Nuclear receptor coactivator 2, Vitamin D3 receptor A
Authors:Huet, T, Moras, D, Rochel, N.
Deposit date:2010-07-21
Release date:2011-07-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5001 Å)
Cite:Structure-function study of gemini derivatives with two different side chains at C-20, Gemini-0072 and Gemini-0097.
Medchemcomm, 2, 2011
3GU0
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BU of 3gu0 by Molmil
Promiscuous Substrate Recognition in Folding and Assembly Activities of the Trigger Factor Chaperone
Descriptor: Trigger factor
Authors:Martinez-Hackert, E, Hendrickson, W.A.
Deposit date:2009-03-28
Release date:2009-12-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Promiscuous substrate recognition in folding and assembly activities of the trigger factor chaperone
Cell(Cambridge,Mass.), 138, 2009
3NPI
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BU of 3npi by Molmil
Crystal structure of a TetR family regulatory protein (DIP1788) from CORYNEBACTERIUM DIPHTHERIAE at 2.96 A resolution
Descriptor: SULFATE ION, TetR family regulatory protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2010-06-28
Release date:2010-08-18
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Crystal structure of a TetR family regulatory protein (DIP1788) from CORYNEBACTERIUM DIPHTHERIAE at 2.96 A resolution
To be published
4Y2A
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BU of 4y2a by Molmil
Crystal Structure of Coxsackie Virus B3 3D polymerase in complex with GPC-N114 inhibitor
Descriptor: 2,2'-[(4-chlorobenzene-1,2-diyl)bis(oxy)]bis(5-nitrobenzonitrile), 3D polymerase, GLYCEROL, ...
Authors:Vives-Adrian, L, Ferrer-Orta, C, Verdaguer, N.
Deposit date:2015-02-09
Release date:2015-04-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The RNA Template Channel of the RNA-Dependent RNA Polymerase as a Target for Development of Antiviral Therapy of Multiple Genera within a Virus Family.
Plos Pathog., 11, 2015
6K8K
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BU of 6k8k by Molmil
Crystal structure of Arabidopsis thaliana BIC2-CRY2 complex
Descriptor: ADENOSINE MONOPHOSPHATE, Cryptochrome-2, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Wang, X, Ma, L, Guan, Z, Yin, P.
Deposit date:2019-06-12
Release date:2020-05-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insights into BIC-mediated inactivation of Arabidopsis cryptochrome 2.
Nat.Struct.Mol.Biol., 27, 2020
5X03
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BU of 5x03 by Molmil
Crystal structure of the C-terminal domain of Bacillus subtilis GabR reveals a closed conformation by the binding of gamma-aminobutyric acid, inducing the transcriptional activation
Descriptor: GAMMA-AMINO-BUTANOIC ACID, HTH-type transcriptional regulatory protein GabR, PYRIDOXAL-5'-PHOSPHATE
Authors:Park, S.A, Lee, K.S.
Deposit date:2017-01-19
Release date:2017-05-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the C-terminal domain of Bacillus subtilis GabR reveals a closed conformation by gamma-aminobutyric acid binding, inducing transcriptional activation
Biochem. Biophys. Res. Commun., 487, 2017

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