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5QUN
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BU of 5qun by Molmil
Structure of unliganded HumRadA1.6
Descriptor: PHOSPHATE ION, RadA
Authors:Marsh, M, Hyvonen, M.
Deposit date:2020-01-27
Release date:2021-03-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUM
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BU of 5qum by Molmil
Structure of unliganded HumRadA1.4
Descriptor: RadA
Authors:Marsh, M, Hyvonen, M.
Deposit date:2020-01-27
Release date:2021-03-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUL
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BU of 5qul by Molmil
Structure of unliganded HumRadA1.3
Descriptor: PHOSPHATE ION, RadA
Authors:Marsh, M, Hyvonen, M.
Deposit date:2020-01-27
Release date:2021-03-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.278 Å)
Cite:Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUT
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BU of 5qut by Molmil
HumRadA1 soaked with 10 mM indazole in 10% DMSO
Descriptor: 1H-indazole, PHOSPHATE ION, RadA
Authors:Marsh, M, Hyvonen, M.
Deposit date:2020-01-27
Release date:2021-03-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.248 Å)
Cite:Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUS
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BU of 5qus by Molmil
HumRadA1 soaked with 5 mM indazole in 10% DMSO
Descriptor: 1H-indazole, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
Authors:Marsh, M, Hyvonen, M.
Deposit date:2020-01-27
Release date:2021-03-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.247 Å)
Cite:Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUU
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BU of 5quu by Molmil
HumRadA1 as soaking control with 10% DMSO
Descriptor: DIMETHYL SULFOXIDE, PHOSPHATE ION, RadA
Authors:Marsh, M, Hyvonen, M.
Deposit date:2020-01-27
Release date:2021-03-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.248 Å)
Cite:Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUR
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BU of 5qur by Molmil
HumRadA1 soaked with 2 mM indazole in 10% DMSO
Descriptor: 1H-indazole, PHOSPHATE ION, RadA
Authors:Marsh, M, Hyvonen, M.
Deposit date:2020-01-27
Release date:2021-03-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.247 Å)
Cite:Optimisation of crystal forms for structure-guided drug discovery
To be published
2DID
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BU of 2did by Molmil
One sequence two fold ? : Correct fold of the zf-B-box domain from human tripartite motif protein 39
Descriptor: Tripartite motif protein 39, ZINC ION
Authors:Tomizawa, T, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-03-29
Release date:2006-09-29
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:One sequence two fold ? : Correct fold of the zf-B-box domain from human tripartite motif protein 39
To be Published
3VB4
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BU of 3vb4 by Molmil
Crystal structure of SARS-CoV 3C-like protease with B4Z
Descriptor: 1,2-ETHANEDIOL, 3C-like proteinase, B4Z inhibitor, ...
Authors:Chuck, C.P, Wong, K.B.
Deposit date:2011-12-31
Release date:2012-12-12
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Design, synthesis and crystallographic analysis of nitrile-based broad-spectrum peptidomimetic inhibitors for coronavirus 3C-like proteases
Eur.J.Med.Chem., 59C, 2012
8WZB
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BU of 8wzb by Molmil
RS head-neck monomer
Descriptor: DPY30 domain containing 2, DnaJ homolog subfamily B member 13, Nucleoside diphosphate kinase homolog 5, ...
Authors:Meng, X, Cong, Y.
Deposit date:2023-11-01
Release date:2024-02-07
Method:ELECTRON MICROSCOPY (3.28 Å)
Cite:Multi-scale structures of the mammalian radial spoke and divergence of axonemal complexes in ependymal cilia.
Nat Commun, 15, 2024
8X2U
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BU of 8x2u by Molmil
Radial spoke head-neck dimer
Descriptor: DPY30 domain containing 2, DnaJ homolog subfamily B member 13, Nucleoside diphosphate kinase homolog 5, ...
Authors:Meng, X, Cong, Y.
Deposit date:2023-11-10
Release date:2024-02-07
Method:ELECTRON MICROSCOPY (3.57 Å)
Cite:Multi-scale structures of the mammalian radial spoke and divergence of axonemal complexes in ependymal cilia.
Nat Commun, 15, 2024
5M1B
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BU of 5m1b by Molmil
Crystal structure of C-terminally tagged apo-UbiD from E. coli
Descriptor: 3-octaprenyl-4-hydroxybenzoate carboxy-lyase
Authors:White, M, Leys, D.
Deposit date:2016-10-07
Release date:2017-01-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Oxidative Maturation and Structural Characterization of Prenylated FMN Binding by UbiD, a Decarboxylase Involved in Bacterial Ubiquinone Biosynthesis.
J. Biol. Chem., 292, 2017
2Z7K
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BU of 2z7k by Molmil
tRNA-Guanine transglycosylase (TGT) in complex with 2-Amino-lin-Benzoguanine
Descriptor: 2,6-diamino-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
Authors:Ritschel, T, Heine, A, Klebe, G.
Deposit date:2007-08-24
Release date:2008-08-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Crystal structure analysis and in silico pKa calculations suggest strong pKa shifts of ligands as driving force for high-affinity binding to TGT
Chembiochem, 10, 2009
2ZBN
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BU of 2zbn by Molmil
Crystal structure of PH1033 from Pyrococcus horikoshii OT3
Descriptor: UPF0310 protein PH1033
Authors:Sugahara, M, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-10-26
Release date:2008-04-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Nucleant-mediated protein crystallization with the application of microporous synthetic zeolites.
Acta Crystallogr.,Sect.D, 64, 2008
2DOB
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BU of 2dob by Molmil
Crystal Structure of Human Saposin A
Descriptor: CALCIUM ION, Proactivator polypeptide
Authors:Prive, G.G, Ahn, V.E.
Deposit date:2006-04-28
Release date:2006-07-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of saposins A and C.
Protein Sci., 15, 2006
3WVS
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BU of 3wvs by Molmil
Crystal Structure of Cytochrome P450revI
Descriptor: (2E,4S,5S,6E,8E)-10-{(2R,3S,6S,8R,9S)-9-butyl-8-[(1E,3E)-4-carboxy-3-methylbuta-1,3-dien-1-yl]-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl}-5-hydroxy-4,8-dimethyldeca-2,6,8-trienoic acid, GLYCEROL, L(+)-TARTARIC ACID, ...
Authors:Nagano, S, Takahashi, S, Osada, H, Shiro, Y.
Deposit date:2014-06-06
Release date:2014-10-01
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure-function analyses of cytochrome P450revI involved in reveromycin A biosynthesis and evaluation of the biological activity of its substrate, reveromycin T.
J.Biol.Chem., 289, 2014
8JP2
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BU of 8jp2 by Molmil
Crystal structure of AKR1C1 in complex with DFV
Descriptor: 7-HYDROXY-2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zheng, X.H, Liu, H, Yao, Z.Q, Zhang, L.P.
Deposit date:2023-06-10
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Inhibition of AKR1Cs by liquiritigenin and the structural basis.
Chem.Biol.Interact., 385, 2023
3WUY
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BU of 3wuy by Molmil
Crystal structure of Nit6803
Descriptor: Nitrilase
Authors:Yuan, Y.A, Yin, B, Wang, C.
Deposit date:2014-05-09
Release date:2014-12-31
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural insights into enzymatic activity and substrate specificity determination by a single amino acid in nitrilase from Syechocystis sp. PCC6803
J.Struct.Biol., 188, 2014
5NJ1
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BU of 5nj1 by Molmil
The X-ray structure of the adduct formed in the reaction between hen egg white lysozyme and arsenoplatin-1
Descriptor: 1,2-ETHANEDIOL, Lysozyme C, NITRATE ION, ...
Authors:Ferraro, G, Merlino, A.
Deposit date:2017-03-27
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Arsenoplatin-1 Is a Dual Pharmacophore Anticancer Agent.
J.Am.Chem.Soc., 141, 2019
3B56
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BU of 3b56 by Molmil
Crystal structure of transthyretin in complex with 3,5-diiodosalicylic acid
Descriptor: 2-HYDROXY-3,5-DIIODO-BENZOIC ACID, Transthyretin
Authors:Gales, L, Damas, A.M.
Deposit date:2007-10-25
Release date:2008-01-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Iodination of salicylic acid improves its binding to transthyretin
Biochim.Biophys.Acta, 1784, 2008
5MKV
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BU of 5mkv by Molmil
Crystal Structure of Human Dihydropyrimidinease-like 2 (DPYSL2A)/Collapsin Response Mediator Protein (CRMP2) residues 13-516
Descriptor: 1,2-ETHANEDIOL, Dihydropyrimidinase-related protein 2
Authors:Sethi, R, Zheng, Y, Krojer, T, Velupillai, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Ahmed, A.A, von Delft, F.
Deposit date:2016-12-05
Release date:2017-02-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Tuning microtubule dynamics to enhance cancer therapy by modulating FER-mediated CRMP2 phosphorylation.
Nat Commun, 9, 2018
4AKO
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BU of 4ako by Molmil
Mutations in the neighbourhood of CotA-laccase trinuclear site: E498L mutant
Descriptor: 1,2-ETHANEDIOL, COPPER (II) ION, OXYGEN MOLECULE, ...
Authors:Silva, C.S, Chen, Z, Durao, P, Pereira, M.M, Todorovic, S, Hildebrandt, P, Martins, L.O, Lindley, P.F, Bento, I.
Deposit date:2012-02-28
Release date:2012-03-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Role of Glu498 in the Dioxygen Reactivity of Cota-Laccase from Bacillus Subtilis.
Dalton Trans, 39, 2010
4A3U
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BU of 4a3u by Molmil
X-structure of the old yellow enzyme homologue from zymomonas mobilis (NCR)
Descriptor: ACETATE ION, FLAVIN MONONUCLEOTIDE, NADH:FLAVIN OXIDOREDUCTASE/NADH OXIDASE, ...
Authors:Hoeffken, H.W.
Deposit date:2011-10-04
Release date:2012-10-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure Determination and Mutagenesis Analysis of the Ene Reductase Ncr.
Chembiochem, 13, 2012
4AKP
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BU of 4akp by Molmil
Mutations in the neighbourhood of CotA-laccase trinuclear site: E498T mutant
Descriptor: 1,2-ETHANEDIOL, COPPER (II) ION, OXYGEN MOLECULE, ...
Authors:Silva, C.S, Chen, Z, Durao, P, Pereira, M.M, Todorovic, S, Hildebrandt, P, Martins, L.O, Lindley, P.F, Bento, I.
Deposit date:2012-02-28
Release date:2012-03-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Role of Glu498 in the Dioxygen Reactivity of Cota-Laccase from Bacillus Subtilis.
Dalton Trans, 39, 2010
4GWM
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BU of 4gwm by Molmil
Crystal structure of human promeprin beta
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Arolas, J.L, Broder, C, Jefferson, T, Guevara, T, Sterchi, E.E, Bode, W, Stocker, W, Becker-Pauly, C, Gomis-Ruth, F.X.
Deposit date:2012-09-03
Release date:2012-09-19
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural basis for the sheddase function of human meprin beta metalloproteinase at the plasma membrane
Proc.Natl.Acad.Sci.USA, 109, 2012

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