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4WQJ
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BU of 4wqj by Molmil
Crystal Structure of CYP119 from Sulfolobus acidocaldarius, Collected at 298K and Complexed with 4-(4-bromophenyl)-1H imidazole
Descriptor: 4-(4-bromophenyl)-1H-imidazole, Cytochrome P450 119, GLYCEROL, ...
Authors:Madrona, Y.
Deposit date:2014-10-22
Release date:2015-02-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:TWO DIMENSIONAL NMR AND X-RAY ANALYSIS OF CYP119 LIGAND-DEPENDENT CONFORMATIONAL DYNAMICS.
To Be Published
2P2O
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BU of 2p2o by Molmil
Crystal structure of maltose transacetylase from Geobacillus kaustophilus P2(1) crystal form
Descriptor: Maltose transacetylase
Authors:Liu, Z.J, Li, Y, Chen, L, Zhu, J, Rose, J.P, Ebihara, A, Yokoyama, S, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG), RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-03-07
Release date:2007-05-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal Structure of Maltose Transacetylase from Geobacillus Kaustophilus at 1.8 Angstrom Resolution
To be Published
6BOJ
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BU of 6boj by Molmil
Crystal Structure of the PDE4D Catalytic Domain and UCR2 Regulatory Helix with BPN5004
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(4-{[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl}phenyl)acetamide, CHLORIDE ION, ...
Authors:Fox III, D, Fairman, J.W, Gurney, M.E.
Deposit date:2017-11-20
Release date:2018-08-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Memory enhancing effects of BPN14770, an allosteric inhibitor of phosphodiesterase-4D, in wild-type and humanized mice.
Neuropsychopharmacology, 43, 2018
5TPG
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BU of 5tpg by Molmil
Optimization of spirocyclic proline tryptophanhydroxylase-1 inhibitors
Descriptor: (3S)-8-(2-amino-6-{(1R)-1-[5-chloro-3'-(methylsulfonyl)[1,1'-biphenyl]-2-yl]-2,2,2-trifluoroethoxy}pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETONITRILE, ...
Authors:Stein, A.J, Goldberg, D.R, De Lombaert, S, Holt, M.C.
Deposit date:2016-10-20
Release date:2017-01-25
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Optimization of spirocyclic proline tryptophan hydroxylase-1 inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
6C16
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BU of 6c16 by Molmil
Ubiquitin variant (UbV.Fbl10.1) bound to a human Skp1-Fbl11 fragment complex.
Descriptor: Lysine-specific demethylase 2A, Polyubiquitin-B, S-phase kinase-associated protein 1
Authors:Manczyk, N, Sicheri, F.
Deposit date:2018-01-04
Release date:2018-07-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.27 Å)
Cite:A Structure-Based Strategy for Engineering Selective Ubiquitin Variant Inhibitors of Skp1-Cul1-F-Box Ubiquitin Ligases.
Structure, 26, 2018
4WVX
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BU of 4wvx by Molmil
Crystal structure of a phosphotriesterase-like lactonase Gkap in native form
Descriptor: 1,2-ETHANEDIOL, COBALT (II) ION, Phosphotriesterase
Authors:An, J, Zhang, Y, Yang, G.Y, Feng, Y.
Deposit date:2014-11-07
Release date:2015-11-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Engineering a thermostable lactonase for enhanced phosphotriesterase activity against organophosphate pesticides
To Be Published
4WUR
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BU of 4wur by Molmil
The crystal structure of the MERS-CoV papain-like protease (C111S) with human ubiquitin
Descriptor: ISOPROPYL ALCOHOL, Papain-like protease, Polyubiquitin-B, ...
Authors:Lei, J, Hilgenfeld, R.
Deposit date:2014-11-03
Release date:2014-11-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.16 Å)
Cite:Structural and mutational analysis of the interaction between the Middle-East respiratory syndrome coronavirus (MERS-CoV) papain-like protease and human ubiquitin.
Virol Sin, 31, 2016
4WWA
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BU of 4wwa by Molmil
Crystal structure of binary complex Bud32-Cgi121
Descriptor: EKC/KEOPS complex subunit BUD32, EKC/KEOPS complex subunit CGI121, SULFATE ION
Authors:Zhang, W, van Tilbeurgh, H.
Deposit date:2014-11-10
Release date:2015-03-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.953 Å)
Cite:Crystal structures of the Gon7/Pcc1 and Bud32/Cgi121 complexes provide a model for the complete yeast KEOPS complex.
Nucleic Acids Res., 43, 2015
4WUY
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BU of 4wuy by Molmil
Crystal Structure of Protein Lysine Methyltransferase SMYD2 in complex with LLY-507, a Cell-Active, Potent and Selective Inhibitor
Descriptor: 5-cyano-2'-{4-[2-(3-methyl-1H-indol-1-yl)ethyl]piperazin-1-yl}-N-[3-(pyrrolidin-1-yl)propyl]biphenyl-3-carboxamide, GLYCEROL, N-lysine methyltransferase SMYD2, ...
Authors:Nguyen, H, Allali-Hassani, A, Antonysamy, S, Chang, S, Chen, L.H, Curtis, C, Emtage, S, Fan, L, Gheyi, T, Li, F, Liu, S, Martin, J.R, Mendel, D, Olsen, J.B, Pelletier, L, Shatseva, T, Wu, S, Zhang, F.F, Arrowsmith, C.H, Brown, P.J, Campbell, R.M, Garcia, B.A, Barsyte-Lovejoy, D, Mader, M, Vedadi, M.
Deposit date:2014-11-04
Release date:2015-04-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:LLY-507, a Cell-active, Potent, and Selective Inhibitor of Protein-lysine Methyltransferase SMYD2.
J.Biol.Chem., 290, 2015
5SYO
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BU of 5syo by Molmil
Crystal structure of a chimeric acetylcholine binding protein from Aplysia californica (Ac-AChBP) containing loop C from the human alpha 3 nicotinic acetylcholine receptor in complex with Cytisine
Descriptor: (1R,5S)-1,2,3,4,5,6-HEXAHYDRO-8H-1,5-METHANOPYRIDO[1,2-A][1,5]DIAZOCIN-8-ONE, Soluble acetylcholine receptor, Neuronal acetylcholine receptor subunit alpha-3 chimera
Authors:Bobango, J, Wu, J, Talley, I.T, Talley, T.T.
Deposit date:2016-08-11
Release date:2016-10-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a chimeric acetylcholine binding protein from Aplysia californica (Ac-AChBP) containing loop C from the human alpha 3 nicotinic acetylcholine receptor in complex with Cytisine
To Be Published
6BGN
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BU of 6bgn by Molmil
Crystal Structure of 4-Oxalocrotonate Tautomerase After Incubation with 5-Fluoro-2-hydroxy-2,4-pentadienoate
Descriptor: 2-hydroxymuconate tautomerase, 5-fluoranyl-2-oxidanylidene-pentanoic acid, GLYCEROL, ...
Authors:Zhang, Y, Li, W, Stack, T.
Deposit date:2017-10-29
Release date:2018-02-21
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Inactivation of 4-Oxalocrotonate Tautomerase by 5-Halo-2-hydroxy-2,4-pentadienoates.
Biochemistry, 57, 2018
5T0V
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BU of 5t0v by Molmil
Architecture of the Yeast Mitochondrial Iron-Sulfur Cluster Assembly Machinery: the Sub-Complex Formed by the Iron Donor, Yfh1, and the Scaffold, Isu1
Descriptor: Frataxin homolog, mitochondrial, Iron sulfur cluster assembly protein 1
Authors:Ranatunga, W, Gakh, O, Galeano, B.K, Smith IV, D.Y, Soderberg, C.A, Al-Karadaghi, S, Thompson, J.R, Isaya, G.
Deposit date:2016-08-16
Release date:2016-08-31
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (17.5 Å)
Cite:Architecture of the Yeast Mitochondrial Iron-Sulfur Cluster Assembly Machinery: the Sub-Complex Formed by the Iron Donor, Yfh1, and the Scaffold, Isu1
J. Biol. Chem., 291, 2016
2OV6
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BU of 2ov6 by Molmil
The NMR structure of subunit F of the Methanogenic A1Ao ATP synthase and its interaction with the nucleotide-binding subunit B
Descriptor: V-type ATP synthase subunit F
Authors:Gayen, S, Subramanian, V, Biukovic, G.
Deposit date:2007-02-13
Release date:2007-12-25
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NMR solution structure of subunit F of the methanogenic A1AO adenosine triphosphate synthase and its interaction with the nucleotide-binding subunit B.
Biochemistry, 46, 2007
4WYW
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BU of 4wyw by Molmil
Mutant K20E of 3D polymerase from Foot-and-Mouth Disease Virus
Descriptor: ACETATE ION, GLYCEROL, RNA-directed RNA polymerase 3D-POL, ...
Authors:Ferrer-Orta, C, Verdaguer, N, de la Higuera, I, Domingo, E.
Deposit date:2014-11-18
Release date:2015-05-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Multifunctionality of a picornavirus polymerase domain: nuclear localization signal and nucleotide recognition.
J.Virol., 89, 2015
5SY4
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BU of 5sy4 by Molmil
Atomic resolution structure of reduced E. coli YajL
Descriptor: Chaperone YajL, MAGNESIUM ION
Authors:Wilson, M.A, Lin, J.
Deposit date:2016-08-10
Release date:2016-12-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Short Carboxylic Acid-Carboxylate Hydrogen Bonds Can Have Fully Localized Protons.
Biochemistry, 56, 2017
4WZK
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BU of 4wzk by Molmil
Crystal structure of P domain from norovirus strain Saga4 in complex with HBGA type H2 (triglycan)
Descriptor: ACETATE ION, VP1, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose
Authors:Singh, B.K, Hansman, G.S.
Deposit date:2014-11-20
Release date:2014-12-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Human noroviruses' fondness for histo-blood group antigens.
J.Virol., 89, 2015
4X1C
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BU of 4x1c by Molmil
Crystal structure of 4-OT from Pseudomonas putida mt-2 with an enamine adduct on the N-terminal proline at 1.7 Angstrom resolution
Descriptor: 2-hydroxymuconate tautomerase, COBALT HEXAMMINE(III)
Authors:Thunnissen, A.M.W.H, Poddar, H.
Deposit date:2014-11-24
Release date:2015-03-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Evidence for the Formation of an Enamine Species during Aldol and Michael-type Addition Reactions Promiscuously Catalyzed by 4-Oxalocrotonate Tautomerase.
Chembiochem, 16, 2015
4WZT
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BU of 4wzt by Molmil
Crystal structure of P domain from norovirus strain NSW0514 in complex with HBGA type A (triglycan)
Descriptor: 1,2-ETHANEDIOL, VP1, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]alpha-D-galactopyranose
Authors:Singh, B.K, Hansman, G.S.
Deposit date:2014-11-20
Release date:2014-12-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Human noroviruses' fondness for histo-blood group antigens.
J.Virol., 89, 2015
5SY9
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BU of 5sy9 by Molmil
Atomic resolution structure of E15Q mutant human DJ-1
Descriptor: 1,2-ETHANEDIOL, Protein deglycase DJ-1
Authors:Wilson, M.A, Lin, J.
Deposit date:2016-08-10
Release date:2016-12-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Short Carboxylic Acid-Carboxylate Hydrogen Bonds Can Have Fully Localized Protons.
Biochemistry, 56, 2017
2PHM
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BU of 2phm by Molmil
STRUCTURE OF PHENYLALANINE HYDROXYLASE DEPHOSPHORYLATED
Descriptor: FE (III) ION, PROTEIN (PHENYLALANINE-4-HYDROXYLASE)
Authors:Kobe, B, Jennings, I.G, House, C.M, Michell, B.J, Cotton, R.G, Kemp, B.E.
Deposit date:1998-11-11
Release date:1999-04-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis of autoregulation of phenylalanine hydroxylase.
Nat.Struct.Biol., 6, 1999
6BNV
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BU of 6bnv by Molmil
CryoEM structure of MyosinVI-actin complex in the rigor (nucleotide-free) state, backbone-averaged with side chains truncated to alanine
Descriptor: Actin, alpha skeletal muscle, Calmodulin, ...
Authors:Gurel, P.S, Alushin, G.A.
Deposit date:2017-11-17
Release date:2018-01-10
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Cryo-EM structures reveal specialization at the myosin VI-actin interface and a mechanism of force sensitivity.
Elife, 6, 2017
6BX0
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BU of 6bx0 by Molmil
Atomic resolution structure of human bufavirus 2
Descriptor: VP2
Authors:Mietzsch, M, Agbandje-McKenna, M.
Deposit date:2017-12-15
Release date:2018-01-24
Method:ELECTRON MICROSCOPY (3.79 Å)
Cite:Atomic Resolution Structures of Human Bufaviruses Determined by Cryo-Electron Microscopy.
Viruses, 10, 2018
2PKR
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BU of 2pkr by Molmil
Crystal structure of (A+CTE)4 chimeric form of photosyntetic glyceraldehyde-3-phosphate dehydrogenase, complexed with NADP
Descriptor: Glyceraldehyde-3-phosphate dehydrogenase Aor, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION
Authors:Fermani, S, Falini, G, Ripamonti, A.
Deposit date:2007-04-18
Release date:2007-06-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular mechanism of thioredoxin regulation in photosynthetic A2B2-glyceraldehyde-3-phosphate dehydrogenase.
Proc.Natl.Acad.Sci.Usa, 104, 2007
5SYB
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BU of 5syb by Molmil
Crystal structure of human PHF5A
Descriptor: 1,2-ETHANEDIOL, PHD finger-like domain-containing protein 5A, ZINC ION
Authors:Tsai, J.H.C, Teng, T, Zhu, P, Fekkes, P, Larsen, N.A.
Deposit date:2016-08-10
Release date:2016-09-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Splicing modulators act at the branch point adenosine binding pocket defined by the PHF5A-SF3b complex.
Nat Commun, 8, 2017
4WKG
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BU of 4wkg by Molmil
The crystal structure of apo ArnA features an unexpected central binding pocket and provides an explanation for enzymatic coop-erativity
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACETATE ION, Bifunctional polymyxin resistance protein ArnA
Authors:Grimm, C.
Deposit date:2014-10-02
Release date:2014-12-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The structure of apo ArnA features an unexpected central binding pocket and provides an explanation for enzymatic cooperativity.
Acta Crystallogr.,Sect.D, 71, 2015

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