5OH2
 
 | | Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Pyrrolidin-2-one (Butyrolactam) | | Descriptor: | Cereblon isoform 4, ZINC ION, pyrrolidin-2-one | | Authors: | Boichenko, I, Albrecht, R, Lupas, A.N, Hernandez Alvarez, B, Hartmann, M.D. | | Deposit date: | 2017-07-14 | | Release date: | 2018-10-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Chemical Ligand Space of Cereblon.
Acs Omega, 3, 2018
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5OHB
 | | Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Piperidin-2-one (Valerolactam) | | Descriptor: | Cereblon isoform 4, ZINC ION, piperidin-2-one | | Authors: | Boichenko, I, Albrecht, R, Lupas, A.N, Hernandez Alvarez, B, Hartmann, M.D. | | Deposit date: | 2017-07-14 | | Release date: | 2018-10-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Chemical Ligand Space of Cereblon.
Acs Omega, 3, 2018
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5OH1
 | | Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Aminoglutethimide | | Descriptor: | (3~{R})-3-(4-aminophenyl)-3-ethyl-piperidine-2,6-dione, Cereblon isoform 4, S-Thalidomide, ... | | Authors: | Boichenko, I, Albrecht, R, Lupas, A.N, Hernandez Alvarez, B, Hartmann, M.D. | | Deposit date: | 2017-07-14 | | Release date: | 2018-10-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Chemical Ligand Space of Cereblon.
Acs Omega, 3, 2018
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5OH9
 | | Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Thiazolidine-2,4-dione | | Descriptor: | 1,3-thiazole-2,4-dione, Cereblon isoform 4, ZINC ION | | Authors: | Boichenko, I, Albrecht, R, Lupas, A.N, Hernandez Alvarez, B, Hartmann, M.D. | | Deposit date: | 2017-07-14 | | Release date: | 2018-10-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Chemical Ligand Space of Cereblon.
Acs Omega, 3, 2018
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5J7V
 | | Faustovirus major capsid protein | | Descriptor: | major capsid protein | | Authors: | Klose, T, Rossmann, M.G. | | Deposit date: | 2016-04-06 | | Release date: | 2016-05-18 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (15.5 Å) | | Cite: | Structure of faustovirus, a large dsDNA virus.
Proc.Natl.Acad.Sci.USA, 113, 2016
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3ZXT
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5TIQ
 | | The Structure of the Major Capsid protein of PBCV-1 | | Descriptor: | 6-deoxy-2,3-di-O-methyl-alpha-L-mannopyranose-(1-2)-beta-L-rhamnopyranose-(1-4)-beta-D-xylopyranose-(1-4)-[alpha-D-mannopyranose-(1-3)-alpha-D-rhamnopyranose-(1-3)][alpha-D-galactopyranose-(1-2)]alpha-L-fucopyranose-(1-3)-[beta-D-xylopyranose-(1-4)]beta-D-glucopyranose, MERCURY (II) ION, Major capsid protein, ... | | Authors: | Klose, T, De Castro, C, Speciale, I, Molinaro, A, Van Etten, J.L, Rossmann, M.G. | | Deposit date: | 2016-10-03 | | Release date: | 2017-10-18 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.537 Å) | | Cite: | Structure of the chlorovirus PBCV-1 major capsid glycoprotein determined by combining crystallographic and carbohydrate molecular modeling approaches.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5OVU
 | | Cupriavidus metallidurans BPH | | Descriptor: | BETA-PROTEOBACTERIA PROTEASOME HOMOLOGUE, MALONATE ION | | Authors: | Fuchs, A.C.D, Albrecht, R, Martin, J, Hartmann, M.D. | | Deposit date: | 2017-08-29 | | Release date: | 2017-12-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural characterization of the bacterial proteasome homolog BPH reveals a tetradecameric double-ring complex with unique inner cavity properties.
J. Biol. Chem., 293, 2018
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5TIP
 | | The Structure of the Major Capsid protein of PBCV-1 | | Descriptor: | 6-deoxy-2,3-di-O-methyl-alpha-L-mannopyranose-(1-2)-beta-L-rhamnopyranose-(1-4)-beta-D-xylopyranose-(1-4)-[alpha-D-mannopyranose-(1-3)-alpha-D-rhamnopyranose-(1-3)][alpha-D-galactopyranose-(1-2)]alpha-L-fucopyranose-(1-3)-[beta-D-xylopyranose-(1-4)]beta-D-glucopyranose, MERCURY (II) ION, Major capsid protein, ... | | Authors: | Klose, T, De Castro, C, Speciale, I, Molinaro, A, Van Etten, J.L, Rossmann, M.G. | | Deposit date: | 2016-10-03 | | Release date: | 2017-10-18 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of the chlorovirus PBCV-1 major capsid glycoprotein determined by combining crystallographic and carbohydrate molecular modeling approaches.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5WK1
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6CO8
 | | Structure of Zika virus at a resolution of 3.1 Angstrom | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, E protein, M protein | | Authors: | Sevvana, M, Long, F, Miller, A.J, Klose, T, Buda, G, Sun, L, Kuhn, R.J, Rossmann, M.R. | | Deposit date: | 2018-03-12 | | Release date: | 2018-07-04 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Refinement and Analysis of the Mature Zika Virus Cryo-EM Structure at 3.1 angstrom Resolution.
Structure, 26, 2018
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6SVH
 | | Protein allostery of the WW domain at atomic resolution: FFpSPR bound structure | | Descriptor: | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | | Authors: | Strotz, D, Orts, J, Friedmann, M, Guntert, P, Vogeli, B, Riek, R. | | Deposit date: | 2019-09-18 | | Release date: | 2020-09-30 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Protein Allostery at Atomic Resolution.
Angew.Chem.Int.Ed.Engl., 59, 2020
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6SVE
 | | Protein allostery of the WW domain at atomic resolution: pCdc25C bound structure | | Descriptor: | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | | Authors: | Strotz, D, Orts, J, Friedmann, M, Guntert, P, Vogeli, B, Riek, R. | | Deposit date: | 2019-09-18 | | Release date: | 2020-10-07 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Protein Allostery at Atomic Resolution.
Angew.Chem.Int.Ed.Engl., 59, 2020
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6SVC
 | | Protein allostery of the WW domain at atomic resolution: apo structure | | Descriptor: | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | | Authors: | Strotz, D, Orts, J, Friedmann, M, Guntert, P, Vogeli, B, Riek, R. | | Deposit date: | 2019-09-18 | | Release date: | 2020-09-30 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Protein Allostery at Atomic Resolution.
Angew.Chem.Int.Ed.Engl., 59, 2020
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4ATH
 | | MITF apo structure | | Descriptor: | MICROPHTHALMIA-ASSOCIATED TRANSCRIPTION FACTOR, SULFATE ION | | Authors: | Pogenberg, V, Milewski, M, Wilmanns, M. | | Deposit date: | 2012-05-08 | | Release date: | 2012-12-12 | | Last modified: | 2019-07-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Restricted Leucine Zipper Dimerization and Specificity of DNA Recognition of the Melanocyte Master Regulator Mitf
Genes Dev., 26, 2012
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3ZR4
 | | STRUCTURAL EVIDENCE FOR AMMONIA TUNNELING ACROSS THE (BETA-ALPHA)8 BARREL OF THE IMIDAZOLE GLYCEROL PHOSPHATE SYNTHASE BIENZYME COMPLEX | | Descriptor: | GLUTAMINE, GLYCEROL, IMIDAZOLE GLYCEROL PHOSPHATE SYNTHASE SUBUNIT HISF, ... | | Authors: | Vega, M.C, Kuper, J, Haeger, M.C, Mohrlueder, J, Marquardt, S, Sterner, R, Wilmanns, M. | | Deposit date: | 2011-06-13 | | Release date: | 2012-10-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Catalysis Uncoupling in a Glutamine Amidotransferase Bienzyme by Unblocking the Glutaminase Active Site.
Chem.Biol., 19, 2012
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9EZZ
 | | Bacterial histone protein HBb from Bdellovibrio bacteriovorus bound to DNA | | Descriptor: | DNA (5'-D(P*AP*GP*CP*CP*C)-3'), DNA (5'-D(P*GP*GP*GP*CP*T)-3'), PHOSPHATE ION, ... | | Authors: | Hu, Y, Albrecht, R, Hartmann, M.D. | | Deposit date: | 2024-04-14 | | Release date: | 2024-06-26 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Bacterial histone HBb from Bdellovibrio bacteriovorus compacts DNA by bending.
Nucleic Acids Res., 52, 2024
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6ELP
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9F0E
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6EL5
 | | Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation | | Descriptor: | 8-(2-CHLORO-3,4,5-TRIMETHOXY-BENZYL)-2-FLUORO-9-PENT-4-YLNYL-9H-PURIN-6-YLAMINE, Heat shock protein HSP 90-alpha | | Authors: | Musil, D, Lehmann, M, Eggenweiler, H.-M. | | Deposit date: | 2017-09-27 | | Release date: | 2018-05-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations.
J Chem Theory Comput, 14, 2018
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6EI5
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3ZNJ
 | | Crystal structure of unliganded ClcF from R.opacus 1CP in crystal form 1. | | Descriptor: | 1,2-ETHANEDIOL, 5-CHLOROMUCONOLACTONE DEHALOGENASE, CHLORIDE ION | | Authors: | Roth, C, Groening, J.A.D, Kaschabek, S.R, Schloemann, M, Straeter, N. | | Deposit date: | 2013-02-14 | | Release date: | 2013-03-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure and Catalytic Mechanism of Chloromuconolactone Dehalogenase Clcf from Rhodococcus Opacus 1Cp.
Mol.Microbiol., 88, 2013
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6EII
 | | The crystal structure of CK2alpha in complex with compound 18 | | Descriptor: | (3-chloranyl-4-phenyl-phenyl)methyl-(3-phenylpropyl)azanium, ACETATE ION, Casein kinase II subunit alpha, ... | | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | | Deposit date: | 2017-09-19 | | Release date: | 2018-02-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.935 Å) | | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
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6EHK
 | | The crystal structure of CK2alpha in complex with CAM4712 and compound 37 | | Descriptor: | 2-(1~{H}-benzimidazol-2-yl)-~{N}-[[3,5-bis(chloranyl)-4-(2-ethylphenyl)phenyl]methyl]ethanamine, 2-hydroxy-5-methylbenzoic acid, ACETATE ION, ... | | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | | Deposit date: | 2017-09-13 | | Release date: | 2018-02-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
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6EHU
 | | The crystal structure of CK2alpha in complex with compound 32 | | Descriptor: | 2-(1~{H}-benzimidazol-2-yl)-~{N}-[[4-(2-ethylphenyl)-3-(trifluoromethyl)phenyl]methyl]ethanamine, ACETATE ION, Casein kinase II subunit alpha | | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | | Deposit date: | 2017-09-15 | | Release date: | 2018-02-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
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