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1N5S
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BU of 1n5s by Molmil
Crystal structure of a Monooxygenase from the gene ActVA-Orf6 of Streptomyces coelicolor in complex with the ligand Acetyl Dithranol
Descriptor: (1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, ActVA-Orf6 monooxygenase
Authors:Sciara, G, Kendrew, S.G, Miele, A.E, Marsh, N.G, Federici, L, Malatesta, F, Schimperna, G, Savino, C, Vallone, B.
Deposit date:2002-11-07
Release date:2003-01-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The structure of ActVA-Orf6, a novel type of monooxygenase involved in actinorhodin biosynthesis
Embo J., 22, 2003
1N5T
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BU of 1n5t by Molmil
Crystal structure of a Monooxygenase from the gene ActVA-Orf6 of Streptomyces coelicolor in complex with the ligand Oxidized Acetyl Dithranol
Descriptor: (1,8-DIHYDROXY-9,10-DIOXO-9,10-DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID, ActVA-Orf6 monooxygenase
Authors:Sciara, G, G Kendrew, S, Miele, A.E, Marsh, N.G, Federici, L, Malatesta, F, Schimperna, G, Savino, C, Vallone, B.
Deposit date:2002-11-07
Release date:2003-01-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The structure of ActVA-Orf6, a novel type of monooxygenase involved in actinorhodin biosynthesis
Embo J., 22, 2003
6HUE
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BU of 6hue by Molmil
ParkinS65N
Descriptor: CHLORIDE ION, E3 ubiquitin-protein ligase parkin, GLYCEROL, ...
Authors:McWilliams, T.G, Barini, E, Pohjolan-Pirhonen, R, Brooks, S.P, Singh, F, Burel, S, Balk, K, Kumar, A, Montava-Garriga, L, Prescott, A.R, Hassoun, S.M, Mouton-Liger, F, Ball, G, Hills, R, Knebel, A, Ulusoy, A, Di Monte, D.A, Tamjar, J, Antico, O, Fears, K, Smith, L, Brambilla, R, Palin, E, Valori, M, Eerola-Rautio, J, Tienari, P, Corti, O, Dunnett, S.B, Ganley, I.G, Suomalainen, A, Muqit, M.M.K.
Deposit date:2018-10-07
Release date:2018-10-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Phosphorylation of Parkin at serine 65 is essential for its activation in vivo .
Open Biology, 8, 2018
1N5V
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BU of 1n5v by Molmil
Crystal structure of a Monooxygenase from the gene ActVA-Orf6 of Streptomyces coelicolor in complex with the ligand Nanaomycin D
Descriptor: 7-HYDROXY-5-METHYL-3,3A,5,11B-TETRAHYDRO-1,4-DIOXA-CYCLOPENTA[A]ANTHRACENE-2,6,11-TRIONE, ActVA-Orf6 monooxygenase
Authors:Sciara, G, Kendrew, S.G, Miele, A.E, Marsh, N.G, Federici, L, Malatesta, F, Schimperna, G, Savino, C, Vallone, B.
Deposit date:2002-11-07
Release date:2003-01-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:The structure of ActVA-Orf6, a novel type of monooxygenase involved in actinorhodin biosynthesis
Embo J., 22, 2003
3ES5
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BU of 3es5 by Molmil
Crystal Structure of Partitivirus (PsV-F)
Descriptor: Putative capsid protein
Authors:Pan, J, Dong, L, Lin, L, Ochoa, W.F, Sinkovits, R.S, Havens, W.M, Nibert, M.L, Baker, T.S, Ghabrial, S.A, Tao, Y.J.
Deposit date:2008-10-03
Release date:2009-03-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Atomic structure reveals the unique capsid organization of a dsRNA virus.
Proc.Natl.Acad.Sci.USA, 106, 2009
6OGN
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BU of 6ogn by Molmil
Crystal structure of mouse protein arginine methyltransferase 7 in complex with SGC8158 chemical probe
Descriptor: 5'-S-(4-{[(4'-chloro[1,1'-biphenyl]-3-yl)methyl]amino}butyl)-5'-thioadenosine, Protein arginine N-methyltransferase 7, UNKNOWN ATOM OR ION, ...
Authors:Halabelian, L, Dong, A, Zeng, H, Li, Y, Hutchinson, A, Seitova, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
Deposit date:2019-04-03
Release date:2019-04-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Pharmacological inhibition of PRMT7 links arginine monomethylation to the cellular stress response.
Nat Commun, 11, 2020
6HY6
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BU of 6hy6 by Molmil
Ni(II)-substituted Wells-Dawson binding to Hen Egg-White Lysozyme (HEWL)
Descriptor: CHLORIDE ION, Lysozyme C, Ni(II)-substituted Wells-Dawson
Authors:Vandebroek, L, Van Meervelt, L, Parac-Vogt, T.N.
Deposit date:2018-10-19
Release date:2019-10-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Noncovalent Complexes Formed between Metal-Substituted Polyoxometalates and Hen Egg White Lysozyme
Eur J Inorg Chem, 2019
6HYB
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BU of 6hyb by Molmil
Zr(IV)-substituted Wells-Dawson binding to Hen Egg-White Lysozyme (HEWL)
Descriptor: Lysozyme C, POTASSIUM ION, W-Zr-cluster
Authors:Vandebroek, L, Van Meervelt, L, Parac-Vogt, T.N.
Deposit date:2018-10-19
Release date:2019-10-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.964 Å)
Cite:Noncovalent Complexes Formed between Metal-Substituted Polyoxometalates and Hen Egg White Lysozyme
Eur J Inorg Chem, 2019
1N5W
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BU of 1n5w by Molmil
Crystal Structure of the Cu,Mo-CO Dehydrogenase (CODH); Oxidized form
Descriptor: CU(I)-S-MO(VI)(=O)OH CLUSTER, Carbon monoxide dehydrogenase large chain, Carbon monoxide dehydrogenase medium chain, ...
Authors:Dobbek, H, Gremer, L, Kiefersauer, R, Huber, R, Meyer, O.
Deposit date:2002-11-07
Release date:2002-12-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Catalysis at a dinuclear [CuSMo(=O)OH] cluster in a CO dehydrogenase resolved at 1.1-A resolution
Proc.Natl.Acad.Sci.USA, 99, 2002
1N63
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BU of 1n63 by Molmil
Crystal Structure of the Cu,Mo-CO Dehydrogenase (CODH); Carbon monoxide reduced state
Descriptor: CU(I)-S-MO(IV)(=O)OH CLUSTER, Carbon monoxide dehydrogenase large chain, Carbon monoxide dehydrogenase medium chain, ...
Authors:Dobbek, H, Gremer, L, Kiefersauer, R, Huber, R, Meyer, O.
Deposit date:2002-11-08
Release date:2002-12-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Catalysis at a dinuclear [CuSMo(=O)OH] cluster in a CO dehydrogenase resolved at 1.1-A resolution
Proc.Natl.Acad.Sci.USA, 99, 2002
3DA1
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BU of 3da1 by Molmil
X-Ray structure of the glycerol-3-phosphate dehydrogenase from Bacillus halodurans complexed with FAD. Northeast Structural Genomics Consortium target BhR167.
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Glycerol-3-phosphate dehydrogenase
Authors:Kuzin, A.P, Abashidze, M, Seetharaman, J, Wang, D, Janjua, H, Owens, L, Xiao, R, Nair, R, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-05-28
Release date:2008-07-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:X-Ray structure of the glycerol-3-phosphate dehydrogenase from Bacillus halodurans complexed with FAD. Northeast Structural Genomics Consortium target BhR167.
To be Published
1N61
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BU of 1n61 by Molmil
Crystal Structure of the Cu,Mo-CO Dehydrogenase (CODH); Dithionite reduced state
Descriptor: CU(I)-S-MO(IV)(=O)OH CLUSTER, Carbon monoxide dehydrogenase large chain, Carbon monoxide dehydrogenase medium chain, ...
Authors:Dobbek, H, Gremer, L, Kiefersauer, R, Huber, R, Meyer, O.
Deposit date:2002-11-08
Release date:2002-12-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Catalysis at a dinuclear [CuSMo(=O)OH] cluster in a CO dehydrogenase resolved at 1.1-A resolution
Proc.Natl.Acad.Sci.USA, 99, 2002
6ODB
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BU of 6odb by Molmil
Crystal structure of HDAC8 in complex with compound 3
Descriptor: GLYCEROL, Histone deacetylase 8, N-{2-[(1E)-3-(hydroxyamino)-3-oxoprop-1-en-1-yl]phenyl}-2-phenoxybenzamide, ...
Authors:Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C.
Deposit date:2019-03-26
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors
To Be Published
6O3V
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BU of 6o3v by Molmil
Crystal structure for RVA-VP3
Descriptor: 1,2-ETHANEDIOL, GUANOSINE-5'-MONOPHOSPHATE, Protein VP3, ...
Authors:Kumar, D, Yu, X, Wang, Z, Hu, L, Prasad, V.
Deposit date:2019-02-27
Release date:2020-03-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:2.7 angstrom cryo-EM structure of rotavirus core protein VP3, a unique capping machine with a helicase activity.
Sci Adv, 6, 2020
6OO5
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BU of 6oo5 by Molmil
Cryo-EM structure of the C2-symmetric TRPV2/RTx complex in amphipol resolved to 4.2 A
Descriptor: TRPV2, resiniferatoxin
Authors:Zubcevic, L, Hsu, A.L, Borgnia, M.J, Lee, S.-Y.
Deposit date:2019-04-22
Release date:2019-05-29
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Symmetry transitions during gating of the TRPV2 ion channel in lipid membranes.
Elife, 8, 2019
1KF3
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BU of 1kf3 by Molmil
Atomic Resolution Structure of RNase A at pH 5.9
Descriptor: SULFATE ION, pancreatic ribonuclease
Authors:Berisio, R, Sica, F, Lamzin, V.S, Wilson, K.S, Zagari, A, Mazzarella, L.
Deposit date:2001-11-19
Release date:2001-12-19
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Atomic resolution structures of ribonuclease A at six pH values.
Acta Crystallogr.,Sect.D, 58, 2002
3DP3
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BU of 3dp3 by Molmil
Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with compound 3q
Descriptor: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 4-tert-butyl-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide, BENZAMIDINE, ...
Authors:Zhang, L, He, L, Liu, X, Liu, H, Shen, X, Jiang, H.
Deposit date:2008-07-07
Release date:2009-05-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination.
J.Med.Chem., 52, 2009
1SXP
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BU of 1sxp by Molmil
BGT in complex with a 13mer DNA containing a central A:G mismatch
Descriptor: 5'-D(*A*AP*TP*AP*CP*TP*AP*AP*GP*AP*TP*AP*G)-3', 5'-D(*CP*TP*AP*TP*CP*TP*GP*AP*GP*TP*AP*TP*T)-3', DNA beta-glucosyltransferase, ...
Authors:Lariviere, L, Morera, S.
Deposit date:2004-03-31
Release date:2004-06-22
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural evidence of a passive base flipping mechanism for {beta}-Glucosyltransferase
J.Biol.Chem., 279, 2004
3DB9
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BU of 3db9 by Molmil
Crystal structure of UPF0317 protein Atu3911 from Agrobacterium tumefaciens. NorthEast Strcutural Genomics target AtR186
Descriptor: UPF0317 protein Atu3911
Authors:Seetharaman, J, Abashidze, M, Wang, D, Janjua, H, Owens, L, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-05-30
Release date:2008-07-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of UPF0317 protein Atu3911 from Agrobacterium tumefaciens. NorthEast Strcutural Genomics target AtR186 (CASP Target)
TO BE PUBLISHED
6O3X
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BU of 6o3x by Molmil
Crystal structure of yeast Nrd1 CID in complex with Sen1 NIM2
Descriptor: CHLORIDE ION, Helicase SEN1, Protein NRD1
Authors:Zhang, Y, Tong, L.
Deposit date:2019-02-27
Release date:2019-06-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.994 Å)
Cite:Identification of Three Sequence Motifs in the Transcription Termination Factor Sen1 that Mediate Direct Interactions with Nrd1.
Structure, 27, 2019
2GLV
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BU of 2glv by Molmil
Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(FabZ) mutant(Y100A) from Helicobacter pylori
Descriptor: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, CHLORIDE ION
Authors:Zhang, L, Liu, W, Shen, X, Jiang, H.
Deposit date:2006-04-05
Release date:2007-03-13
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for catalytic and inhibitory mechanisms of beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ).
J.Biol.Chem., 283, 2008
6OUC
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BU of 6ouc by Molmil
Asymmetric focsued reconstruction of human norovirus GII.2 Snow Mountain Virus strain VLP asymmetric unit in T=1 symmetry
Descriptor: Viral protein 1, ZINC ION
Authors:Jung, J, Grant, T, Thomas, D.R, Diehnelt, C.W, Grigorieff, N, Joshua-Tor, L.
Deposit date:2019-05-04
Release date:2019-06-26
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:High-resolution cryo-EM structures of outbreak strain human norovirus shells reveal size variations.
Proc.Natl.Acad.Sci.USA, 116, 2019
6OUG
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BU of 6oug by Molmil
Structure of drug-resistant V27A mutant of the influenza M2 proton channel bound to spiroadamantyl amine inhibitor, TM + cytosolic helix construct
Descriptor: (1r,1'S,3'S,5'S,7'S)-spiro[cyclohexane-1,2'-tricyclo[3.3.1.1~3,7~]decan]-4-amine, Matrix protein 2
Authors:Thomaston, J.L, Liu, L, DeGrado, W.F.
Deposit date:2019-05-04
Release date:2020-01-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:X-ray Crystal Structures of the Influenza M2 Proton Channel Drug-Resistant V27A Mutant Bound to a Spiro-Adamantyl Amine Inhibitor Reveal the Mechanism of Adamantane Resistance.
Biochemistry, 59, 2020
6OUU
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BU of 6ouu by Molmil
Symmetric reconstruction of human norovirus GII.4 Minerva strain VLP in T=4 symmetry
Descriptor: Major capsid protein
Authors:Jung, J, Grant, T, Thomas, D.R, Diehnelt, C.W, Grigorieff, N, Joshua-Tor, L.
Deposit date:2019-05-05
Release date:2019-06-26
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:High-resolution cryo-EM structures of outbreak strain human norovirus shells reveal size variations.
Proc.Natl.Acad.Sci.USA, 116, 2019
6OVD
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BU of 6ovd by Molmil
Crystal structure of GluN1/GluN2A NMDA receptor agonist binding domains with glycine and antagonist, 3-ethylphenyl-ACEPC
Descriptor: (3S,5S)-5-[(2R)-2-amino-2-carboxyethyl]-1-(3-ethylphenyl)pyrazolidine-3-carboxylic acid, GLYCINE, Glutamate receptor ionotropic, ...
Authors:Syrenne, J.T, Mou, T.C, Tamborini, L, Pinto, A, Sprang, S.R, Hansen, K.B.
Deposit date:2019-05-07
Release date:2020-05-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.102 Å)
Cite:Crystal structure of GluN1/GluN2A NMDA receptor agonist binding domains with glycine and antagonist, 3-ethylphenyl-ACEPC
To Be Published

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