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4X3B
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BU of 4x3b by Molmil
A micro-patterned silicon chip as sample holder for macromolecular crystallography experiments with minimal background scattering
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Roedig, P, Vartiainen, I, Duman, R, Panneerselvam, S, Stuebe, N, Lorbeer, O, Warmer, M, Sutton, G, Stuart, D.I, Weckert, E, David, C, Wagner, A, Meents, A.
Deposit date:2014-11-28
Release date:2015-06-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A micro-patterned silicon chip as sample holder for macromolecular crystallography experiments with minimal background scattering.
Sci Rep, 5, 2015
8QTF
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BU of 8qtf by Molmil
Crystal structure of a C-terminally truncated version of Arabidopsis thaliana 14-3-3 omega in complex with a phosphopeptide from the transcription factor BZR1.
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 14-3-3-like protein GF14 omega, ...
Authors:Hothorn, M, Obergfell, E.
Deposit date:2023-10-12
Release date:2023-11-22
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanistic insights into the function of 14-3-3 proteins as negative regulators of brassinosteroid signaling in Arabidopsis.
Plant Cell.Physiol., 2024
8DRZ
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BU of 8drz by Molmil
Product structure of SARS-CoV-2 Mpro C145A mutant in complex with nsp13-nsp14 (C13) cut site sequence
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER, ...
Authors:Lee, J, Kenward, C, Worrall, L.J, Vuckovic, M, Paetzel, M, Strynadka, N.C.J.
Deposit date:2022-07-21
Release date:2022-09-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:X-ray crystallographic characterization of the SARS-CoV-2 main protease polyprotein cleavage sites essential for viral processing and maturation.
Nat Commun, 13, 2022
5BYF
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BU of 5byf by Molmil
Crystal structure of human ribokinase in complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, CHLORIDE ION, Ribokinase, ...
Authors:Park, J, Chakrabarti, J, Singh, B, Gupta, R.S, Junop, M.S.
Deposit date:2015-06-10
Release date:2016-06-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of human ribokinase in complex with AMP
To Be Published
5C40
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BU of 5c40 by Molmil
Crystal structure of human ribokinase in complex with AMPPCP in P21 spacegroup
Descriptor: PHOSPHATE ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Ribokinase, ...
Authors:Park, J, Chakrabarti, J, Singh, B, Gupta, R.S, Junop, M.S.
Deposit date:2015-06-17
Release date:2016-06-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of human ribokinase in complex with AMPPCP in P21 spacegroup
To Be Published
4X7F
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BU of 4x7f by Molmil
Crystal structure of norovirus GII.10 P domain in complex with Nano-25
Descriptor: 1,2-ETHANEDIOL, Capsid protein, IMIDAZOLE, ...
Authors:Koromyslova, A.D, Hansman, G.S.
Deposit date:2014-12-09
Release date:2014-12-31
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Nanobody binding to a conserved epitope promotes norovirus particle disassembly.
J.Virol., 89, 2015
6XNF
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BU of 6xnf by Molmil
GCN4-p1 Peptide Trimer with Tetrafluoroiodophenylalanine residue at position 16 (TFI-F16)
Descriptor: GCN4-p1 peptide with A16, GCN4-p1 peptide with TFI-F16, SODIUM ION
Authors:Rowe Hartje, R.K, Czarny, R.S, Ho, A.
Deposit date:2020-07-02
Release date:2021-07-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Engineering Specific Protein-Protein Interactions Through Halogen and Hydrogen Bonds
To Be Published
4WLD
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BU of 4wld by Molmil
High pressure protein crystallography of hen egg white lysozyme at 0.1 MPa
Descriptor: Lysozyme C, SODIUM ION
Authors:Yamada, H, Nagae, T, Watanabe, N.
Deposit date:2014-10-07
Release date:2015-04-08
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:High-pressure protein crystallography of hen egg-white lysozyme
Acta Crystallogr.,Sect.D, 71, 2015
4J07
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BU of 4j07 by Molmil
Crystal structure of a PROBABLE RIBOFLAVIN SYNTHASE, BETA CHAIN RIBH (6,7-dimethyl-8-ribityllumazine synthase, DMRL synthase, Lumazine synthase) from Mycobacterium leprae
Descriptor: 6,7-dimethyl-8-ribityllumazine synthase, SODIUM ION, SULFATE ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-01-30
Release date:2013-03-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of a Probable Riboflavin Synthase, Beta chain RIBH (6,7-dimethyl-8-ribityllumazine synthase, DMRL synthase, Lumazine synthase) from Mycobacterium leprae
TO BE PUBLISHED
4WZU
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BU of 4wzu by Molmil
Crystal structure of beta-ketoacyl-(acyl carrier protein) synthase III-2 (FabH2) from Vibrio cholerae
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 3 protein 2, SODIUM ION
Authors:Hou, J, Chruszcz, M, Zheng, H, Cooper, D.R, Chordia, M.D, Zimmerman, M.D, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2014-11-20
Release date:2014-12-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structural and enzymatic studies of beta-ketoacyl-(acyl carrier protein) synthase III (FabH) from Vibrio cholerae
To Be Published
6RIJ
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BU of 6rij by Molmil
CDK2/cyclin A2 in complex with open-ring 5-nitrosopyrimidine inhibitor LC436
Descriptor: 4-[[[5-nitroso-2-[[(2~{R})-1-oxidanylbutan-2-yl]amino]-6-(propan-2-ylamino)pyrimidin-4-yl]amino]methyl]phenol, Cyclin-A2, Cyclin-dependent kinase 2, ...
Authors:Skerlova, J, Rezacova, P, Brynda, J.
Deposit date:2019-04-24
Release date:2020-07-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:CDK2/cyclin A2 in complex with open-ring 5-nitrosopyrimidine inhibitor LC436
To Be Published
6YD2
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BU of 6yd2 by Molmil
X-ray structure of furin in complex with the canavanine-based inhibitor 4-aminomethyl-phenylacetyl-canavanine-Tle-Arg-Amba
Descriptor: 4-aminomethyl-phenylacetyl-canavanine-Tle-Arg-Amba, CALCIUM ION, CHLORIDE ION, ...
Authors:Dahms, S.O.
Deposit date:2020-03-20
Release date:2021-02-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Basicity Makes the Difference: Improved Canavanine-Derived Inhibitors of the Proprotein Convertase Furin.
Acs Med.Chem.Lett., 12, 2021
5C80
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BU of 5c80 by Molmil
X-ray structure uridine phosphorylase from Vibrio cholerae in complex with uridine at 2.24 A resolution
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Prokofev, I.I, Lashkov, A.A, Gabdoulkhakov, A.G, Betzel, C, Mikhailov, A.M.
Deposit date:2015-06-25
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.243 Å)
Cite:X-ray structures of uridine phosphorylase from Vibrio cholerae in complexes with uridine, thymidine, uracil, thymine, and phosphate anion: Substrate specificity of bacterial uridine phosphorylases
Crystallography Reports, 61, 2016
6Y76
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BU of 6y76 by Molmil
AP01 - a redesigned transferrin receptor apical domain
Descriptor: SODIUM ION, Transferrin receptor protein 1
Authors:Oberdorfer, G, Berger, S.A, Bjelic, S, Sjostrom, D.J.
Deposit date:2020-02-28
Release date:2020-07-22
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Computational backbone design enables soluble engineering of transferrin receptor apical domain.
Proteins, 88, 2020
4WLX
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BU of 4wlx by Molmil
High pressure protein crystallography of hen egg white lysozyme at 280 MPa
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Yamada, H, Nagae, T, Watanabe, N.
Deposit date:2014-10-08
Release date:2015-04-08
Last modified:2020-02-05
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:High-pressure protein crystallography of hen egg-white lysozyme
Acta Crystallogr.,Sect.D, 71, 2015
4WM3
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BU of 4wm3 by Molmil
High pressure protein crystallography of hen egg white lysozyme at 710 MPa
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Yamada, H, Nagae, T, Watanabe, N.
Deposit date:2014-10-08
Release date:2015-04-08
Last modified:2020-02-05
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:High-pressure protein crystallography of hen egg-white lysozyme
Acta Crystallogr.,Sect.D, 71, 2015
4WOJ
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BU of 4woj by Molmil
Aspartate Semialdehyde Dehydrogenase from Francisella tularensis
Descriptor: Aspartate semialdehyde dehydrogenase, SODIUM ION, SULFATE ION
Authors:Mank, N.J, Arnette, A.K, Klapper, V.G, Chruszcz, M.
Deposit date:2014-10-15
Release date:2015-10-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structure of aspartate b-semialdehyde dehydrogenase from Francisella tularensis
Acta Crystallogr.,Sect.F, 74, 2018
4WRG
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BU of 4wrg by Molmil
1.9 angstrom structure of EGFR kinase domain
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, SODIUM ION
Authors:Squire, C.J, Yosaatmadja, Y, Flanagan, J.U, McKeage, M.
Deposit date:2014-10-23
Release date:2014-11-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:1.9 angstrom structure of EGFR kinase domain
To Be Published
4WWF
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BU of 4wwf by Molmil
High-resolution structure of two Ni-bound forms of the M123C mutant of C. metallidurans CnrXs
Descriptor: NICKEL (II) ION, Nickel and cobalt resistance protein CnrR, SODIUM ION
Authors:Volbeda, A, Coves, J, Maillard, A.P, Kinnemann, S, Grosse, C, Schleuder, G, Petit-Hurtlein, I, de Rosny, E, Nies, D.H.
Deposit date:2014-11-10
Release date:2015-02-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Response of CnrX from Cupriavidus metallidurans CH34 to nickel binding.
Metallomics, 7, 2015
4WX2
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BU of 4wx2 by Molmil
Crystal structure of Tryptophan Synthase from Salmonella typhimurium in complex with two F6F molecules in the alpha-site and one F6F molecule in the beta-site
Descriptor: 1,2-ETHANEDIOL, 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
Authors:Hilario, E, Caulkins, B.G, Young, R.P, Niks, D, Dunn, M.F, Mueller, L.J, Fan, L.
Deposit date:2014-11-13
Release date:2015-11-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Visualizing the tunnel in tryptophan synthase with crystallography: Insights into a selective filter for accommodating indole and rejecting water.
Biochim.Biophys.Acta, 1864, 2016
4WXU
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BU of 4wxu by Molmil
Crystal Structure of the Selenomthionine Incorporated Myocilin Olfactomedin Domain E396D Variant.
Descriptor: CALCIUM ION, GLYCEROL, HEXAETHYLENE GLYCOL, ...
Authors:Donegan, R.K, Freeman, D.M, Lieberman, R.L.
Deposit date:2014-11-14
Release date:2015-04-01
Method:X-RAY DIFFRACTION (2.092 Å)
Cite:Structural basis for misfolding in myocilin-associated glaucoma.
Hum.Mol.Genet., 24, 2015
4X8O
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BU of 4x8o by Molmil
Crystal structure of E. coli Adenylate kinase Y171W mutant in complex with inhibitor Ap5a
Descriptor: Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, MAGNESIUM ION, ...
Authors:Sauer-Eriksson, A.E, Kovermann, M, Aden, J, Grundstrom, C, Wolf-Watz, M, Sauer, U.H.
Deposit date:2014-12-10
Release date:2015-07-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for catalytically restrictive dynamics of a high-energy enzyme state.
Nat Commun, 6, 2015
4WM5
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BU of 4wm5 by Molmil
High pressure protein crystallography of hen egg white lysozyme at 890 MPa
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Yamada, H, Nagae, T, Watanabe, N.
Deposit date:2014-10-08
Release date:2015-04-08
Last modified:2020-02-05
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:High-pressure protein crystallography of hen egg-white lysozyme
Acta Crystallogr.,Sect.D, 71, 2015
6YMJ
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BU of 6ymj by Molmil
Crystal structure of the SAM-SAH riboswitch with adenosine.
Descriptor: 5-BROMOCYTIDINE 5'-(DIHYDROGEN PHOSPHATE), ADENOSINE, Chains: A,C,F,I,M,O, ...
Authors:Huang, L, Lilley, D.M.J.
Deposit date:2020-04-08
Release date:2020-07-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Crystal structure and ligand-induced folding of the SAM/SAH riboswitch.
Nucleic Acids Res., 48, 2020
5ACK
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BU of 5ack by Molmil
Human PDK1 Kinase Domain in Complex with Allosteric Compound 7 Bound to the PIF-Pocket
Descriptor: 1-(4-CHLOROPHENETHYL)-2-(2-CHLOROPHENYL)-6-OXOPIPERIDINE-3-CARBOXYLIC ACID, 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Schulze, J.O, Kroon, E, Doemling, A, Biondi, R.M.
Deposit date:2015-08-17
Release date:2015-10-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Discovery of a Potent Allosteric Kinase Modulator by Combining Computational and Synthetic Methods.
Angew.Chem.Int.Ed.Engl., 54, 2015

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