3LKD
 
 | | Crystal Structure of the type I restriction-modification system methyltransferase subunit from Streptococcus thermophilus, Northeast Structural Genomics Consortium Target SuR80 | | Descriptor: | Type I restriction-modification system methyltransferase subunit | | Authors: | Vorobiev, S, Su, M, Seetharaman, J, Mao, M, Xiao, R, Foote, E.L, Ciccosanti, C, Wang, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2010-01-27 | | Release date: | 2010-02-09 | | Last modified: | 2019-07-17 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Northeast Structural Genomics Consortium Target SuR80
To be published
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5G2I
 | | S. enterica HisA mutant Dup13-15(VVR) | | Descriptor: | 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, PHOSPHATE ION, SODIUM ION | | Authors: | Guo, X, Soderholm, A, Newton, M, Nasvall, J, Duarte, F, Andersson, D, Patrick, W, Selmer, M. | | Deposit date: | 2016-04-08 | | Release date: | 2017-04-19 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.601 Å) | | Cite: | Structural and functional innovations in the real-time evolution of new ( beta alpha )8 barrel enzymes.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5E4K
 | | Structure of ligand binding region of uPARAP at pH 7.4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, C-type mannose receptor 2, ... | | Authors: | Yuan, C, Huang, M. | | Deposit date: | 2015-10-06 | | Release date: | 2016-08-10 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Crystal structures of the ligand-binding region of uPARAP: effect of calcium ion binding
Biochem.J., 473, 2016
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3LAQ
 | | Structure-based engineering of species selectivity in the uPA-uPAR interaction | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Urokinase plasminogen activator surface receptor, Urokinase-type plasminogen activator | | Authors: | Huang, M. | | Deposit date: | 2010-01-06 | | Release date: | 2010-02-02 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structure-based engineering of species selectivity in the interaction between urokinase and its receptor: implication for preclinical cancer therapy.
J.Biol.Chem., 285, 2010
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3TB2
 | | 1-Cys peroxidoxin from Plasmodium Yoelli | | Descriptor: | 1,2-ETHANEDIOL, 1-Cys peroxiredoxin, GLYCEROL, ... | | Authors: | Qiu, W, Artz, J.D, Vedadi, M, Sharma, S, Houston, S, Lew, J, Wasney, G, Amani, M, Xu, X, Bray, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Hui, R, Bochkarev, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-08-04 | | Release date: | 2011-10-19 | | Last modified: | 2018-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
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8F3K
 | | Anti-CRISPR protein AcrIIC5 inhibits CRISPR-Cas9 by acting as a DNA mimic | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACRIIC5Nch, AMMONIUM ION, ... | | Authors: | Shah, M, Sungwon, H, Davidson, A.R, Maxwell, K.L, Moraes, T.F. | | Deposit date: | 2022-11-10 | | Release date: | 2023-03-08 | | Last modified: | 2023-04-12 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Anti-CRISPR Protein AcrIIC5 Inhibits CRISPR-Cas9 by Occupying the Target DNA Binding Pocket.
J.Mol.Biol., 435, 2023
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7ARS
 | | The de novo designed hybrid alpha/beta-miniprotein (with Se-Methionine) | | Descriptor: | MAGNESIUM ION, alpha/beta-peptide, trifluoroacetic acid | | Authors: | Bejger, M, Fortuna, P, Drewniak-Switalska, M, Rypniewski, W, Berlicki, L. | | Deposit date: | 2020-10-26 | | Release date: | 2021-07-14 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | A computationally designed beta-amino acid-containing miniprotein.
Chem.Commun.(Camb.), 57, 2021
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7ARR
 | | The de novo designed hybrid alpha/beta-miniprotein | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, alpha/beta-peptide, ... | | Authors: | Bejger, M, Fortuna, P, Drewniak-Switalska, M, Rypniewski, W, Berlicki, L. | | Deposit date: | 2020-10-26 | | Release date: | 2021-07-14 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | A computationally designed beta-amino acid-containing miniprotein.
Chem.Commun.(Camb.), 57, 2021
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8BRF
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6FMV
 | | IMISX-EP of Hg-BacA soaking SIRAS | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CITRATE ANION, ... | | Authors: | Huang, C.-Y, Olieric, V, Howe, N, Warshamanage, R, Weinert, T, Panepucci, E, Vogeley, L, Basu, S, Diederichs, K, Caffrey, M, Wang, M. | | Deposit date: | 2018-02-02 | | Release date: | 2018-09-05 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | In situ serial crystallography for rapid de novo membrane protein structure determination.
Commun Biol, 1, 2018
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8BS0
 | | Room-temperature structure of Pedobacter heparinus N-acetylglucosamine 2-epimerase at 80 MPa helium gas pressure in a sapphire capillary | | Descriptor: | CHLORIDE ION, N-acylglucosamine 2-epimerase, PHOSPHATE ION | | Authors: | Lieske, J, Saouane, S, Assmann, M, Zaun, H, Kuballa, J, Meents, A. | | Deposit date: | 2022-11-24 | | Release date: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | High-pressure macromolecular crystallography to explore the conformational space of proteins
To Be Published
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8BRZ
 | | Room-temperature structure of Pedobacter heparinus N-acetylglucosamine 2-epimerase at 52 MPa helium gas pressure in a sapphire capillary | | Descriptor: | CHLORIDE ION, N-acylglucosamine 2-epimerase, PHOSPHATE ION | | Authors: | Lieske, J, Saouane, S, Assmann, M, Zaun, H, Kuballa, J, Meents, A. | | Deposit date: | 2022-11-24 | | Release date: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | High-pressure macromolecular crystallography to explore the conformational space of proteins
To Be Published
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4IXU
 | | Crystal structure of human Arginase-2 complexed with inhibitor 11d: {(5R)-5-amino-5-carboxy-5-[(3-endo)-8-(3,4-dichlorobenzyl)-8-azabicyclo[3.2.1]oct-3-yl]pentyl}(trihydroxy)borate(1-) | | Descriptor: | Arginase-2, mitochondrial, BENZAMIDINE, ... | | Authors: | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Whitehouse, D, Beckett, P, Van Zandt, M.C, Ji, M.K, Ryder, T, Jagdmann, R, Andreoli, M, Olczak, J, Mazur, M, Czestkowski, W, Piotrowska, W, Schroeter, H, Golebiowski, A, Podjarny, A. | | Deposit date: | 2013-01-28 | | Release date: | 2013-12-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Synthesis of quaternary alpha-amino acid-based arginase inhibitors via the Ugi reaction.
Bioorg.Med.Chem.Lett., 23, 2013
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8F23
 | | The crystal structure of a rationally designed zinc sensor based on maltose binding protein - Apo conformation | | Descriptor: | Zinc Sensor protein | | Authors: | Zhao, Z, Zhou, M, Zemerov, S.d, Marmorstein, R, Dmochowski, I.J. | | Deposit date: | 2022-11-06 | | Release date: | 2023-03-22 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Rational design of a genetically encoded NMR zinc sensor.
Chem Sci, 14, 2023
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8BRY
 | | Room-temperature structure of Pedobacter heparinus N-acetylglucosamine 2-epimerase at atmospheric pressure | | Descriptor: | CHLORIDE ION, N-acylglucosamine 2-epimerase, PHOSPHATE ION | | Authors: | Lieske, J, Saouane, S, Assmann, M, Zaun, H, Kuballa, J, Meents, A. | | Deposit date: | 2022-11-24 | | Release date: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | High-pressure macromolecular crystallography to explore the conformational space of proteins
To Be Published
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7AH8
 | | NF-Y bound to suramin inhibitor | | Descriptor: | 8,8'-[CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(4-METHYL-3,1-PHENYLENE)CARBONYLIMINO]]BIS-1,3,5-NAPHTHALENETRISULFON IC ACID, CITRATE ANION, GLYCEROL, ... | | Authors: | Nardone, V, Chaves-Sanjuan, A, Lapi, M, Nardini, M. | | Deposit date: | 2020-09-24 | | Release date: | 2021-08-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.70001364 Å) | | Cite: | Structural Basis of Inhibition of the Pioneer Transcription Factor NF-Y by Suramin.
Cells, 9, 2020
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7AT5
 | | Structure of protein kinase ck2 catalytic subunit (csnk2a1 gene product) in complex with the bivalent inhibitor KN2 | | Descriptor: | 1,2-ETHANEDIOL, 2-(3,4-dichlorophenyl)ethanamine, Casein kinase II subunit alpha, ... | | Authors: | Lindenblatt, D, Applegate, V, Nickelsen, A, Klussmann, M, Neundorf, I, Goetz, C, Jose, J, Niefind, K. | | Deposit date: | 2020-10-29 | | Release date: | 2021-08-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Molecular Plasticity of Crystalline CK2 alpha ' Leads to KN2, a Bivalent Inhibitor of Protein Kinase CK2 with Extraordinary Selectivity.
J.Med.Chem., 65, 2022
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6FMX
 | | IMISX-EP of W-PgpB | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Phosphatidylglycerophosphatase B, TUNGSTATE(VI)ION | | Authors: | Huang, C.-Y, Olieric, V, Howe, N, Warshamanage, R, Weinert, T, Panepucci, E, Vogeley, L, Basu, S, Diederichs, K, Caffrey, M, Wang, M. | | Deposit date: | 2018-02-02 | | Release date: | 2018-09-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | In situ serial crystallography for rapid de novo membrane protein structure determination.
Commun Biol, 1, 2018
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7AT9
 | | Structure of protein kinase ck2 catalytic subunit (csnk2a2 gene product) in complex with the ATP-competitive inhibitor MB002 and the alphaD-pocket ligand 3,4-dichlorophenethylamine | | Descriptor: | 1,2-ETHANEDIOL, 2-(3,4-dichlorophenyl)ethanamine, 3-(4,5,6,7-tetrabromo-1H-benzotriazol-1-yl)propan-1-ol, ... | | Authors: | Lindenblatt, D, Applegate, V, Nickelsen, A, Klussmann, M, Neundorf, I, Goetz, C, Jose, J, Niefind, K. | | Deposit date: | 2020-10-29 | | Release date: | 2021-08-04 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Molecular Plasticity of Crystalline CK2 alpha ' Leads to KN2, a Bivalent Inhibitor of Protein Kinase CK2 with Extraordinary Selectivity.
J.Med.Chem., 65, 2022
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7ATV
 | | Structure of protein kinase ck2 catalytic subunit (csnk2a2 gene product) in complex with the bivalent inhibitor KN2 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Casein kinase II subunit alpha', ... | | Authors: | Lindenblatt, D, Applegate, V, Nickelsen, A, Klussmann, M, Neundorf, I, Goetz, C, Jose, J, Niefind, K. | | Deposit date: | 2020-10-31 | | Release date: | 2021-08-04 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (0.98 Å) | | Cite: | Molecular Plasticity of Crystalline CK2 alpha ' Leads to KN2, a Bivalent Inhibitor of Protein Kinase CK2 with Extraordinary Selectivity.
J.Med.Chem., 65, 2022
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7ATG
 | | Crystal structure of Z-DNA in complex with putrescinium and potassium cations at ultrahigh-resolution | | Descriptor: | 4-azaniumylbutylazanium, DNA (5'-D(*CP*GP*CP*GP*CP*G)-3'), POTASSIUM ION | | Authors: | Drozdzal, P, Gilski, M, Jaskolski, M. | | Deposit date: | 2020-10-30 | | Release date: | 2021-08-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (0.6 Å) | | Cite: | Crystal structure of Z-DNA in complex with the polyamine putrescine and potassium cations at ultra-high resolution.
Acta Crystallogr.,Sect.B, 77, 2021
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6PD7
 | | Crystal Structure of EcDsbA in a complex with purified morpholine carboxylic acid 7 | | Descriptor: | (3R)-4-{[4-(4-cyano-3-methylphenoxy)phenyl]acetyl}morpholine-3-carboxylic acid, Thiol:disulfide interchange protein DsbA | | Authors: | Ilyichova, O.V, Bentley, M, Doak, B, Scanlon, M.J. | | Deposit date: | 2019-06-18 | | Release date: | 2020-05-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiL X ).
J.Med.Chem., 63, 2020
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8EZD
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8EZE
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3LQD
 | | Crystal structure determination of Lepus europaeus 2.8 A resolution | | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, OXYGEN MOLECULE, ... | | Authors: | Thenmozhi, M, Sathya Moothy, Pon, Balasubramanian, M, Ponnuswamy, M.N. | | Deposit date: | 2010-02-09 | | Release date: | 2011-02-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure determination of Lepus europaeus 2.8 A resolution
To be published
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