6ST6
 
 | | Crystal Structure of Domain Swapped Trp Repressor V58I Variant | | Descriptor: | ISOPROPYL ALCOHOL, Trp operon repressor | | Authors: | Sprenger, J, Lawson, C.L, Carey, J, Drouard, F, von Wachenfeldt, C, Schulz, A, Linse, S, Lo Leggio, L. | | Deposit date: | 2019-09-10 | | Release date: | 2020-09-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structures of Val58Ile tryptophan repressor in a domain-swapped array in the presence and absence of L-tryptophan.
Acta Crystallogr.,Sect.F, 77, 2021
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6JD7
 | | Crystal structure of anti-CRISPR protein AcrIIC2 dimer | | Descriptor: | ACETATE ION, AcrIIC2, MAGNESIUM ION | | Authors: | Cheng, Z, Huang, X, Sun, W, Wang, Y.L. | | Deposit date: | 2019-01-31 | | Release date: | 2019-05-15 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Inhibition of CRISPR-Cas9 ribonucleoprotein complex assembly by anti-CRISPR AcrIIC2.
Nat Commun, 10, 2019
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6S9U
 | | Crystal structure of sucrose 6F-phosphate phosphorylase from Ilumatobacter coccineus | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PHOSPHATE ION, ... | | Authors: | Capra, N, Franceus, J, Desmet, T, Thunnissen, A.M.W.H. | | Deposit date: | 2019-07-15 | | Release date: | 2019-08-28 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural Comparison of a Promiscuous and a Highly Specific Sucrose 6 F -Phosphate Phosphorylase.
Int J Mol Sci, 20, 2019
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6JDV
 | | Crystal structure of Nme1Cas9 in complex with sgRNA and target DNA (ATATGATT PAM) in catalytic state | | Descriptor: | 1,2-ETHANEDIOL, CRISPR-associated endonuclease Cas9, MAGNESIUM ION, ... | | Authors: | Sun, W, Yang, J, Cheng, Z, Liu, C, Wang, K, Huang, X, Wang, Y. | | Deposit date: | 2019-02-02 | | Release date: | 2019-11-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structures of Neisseria meningitidis Cas9 Complexes in Catalytically Poised and Anti-CRISPR-Inhibited States.
Mol.Cell, 76, 2019
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5M3Q
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6SAV
 | | Structural and functional characterisation of three novel fungal amylases with enhanced stability and pH tolerance | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-amylase, CALCIUM ION, ... | | Authors: | Roth, C, Moroz, O.V, Turkenburg, J.P, Blagova, E, Waterman, J, Ariza, A, Ming, L, Tianqi, S, Andersen, C, Davies, G.J, Wilson, K.S. | | Deposit date: | 2019-07-17 | | Release date: | 2019-10-23 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural and Functional Characterization of Three Novel Fungal Amylases with Enhanced Stability and pH Tolerance.
Int J Mol Sci, 20, 2019
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5LVM
 | | Human PDK1 Kinase Domain in Complex with Adenine Bound to the ATP-Binding Site | | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, ADENINE, DITHIANE DIOL | | Authors: | Schulze, J.O, Saladino, G, Busschots, K, Neimanis, S, Suess, E, Odadzic, D, Zeuzem, S, Hindie, V, Herbrand, A.K, Lisa, M.N, Alzari, P.M, Gervasio, F.L, Biondi, R.M. | | Deposit date: | 2016-09-14 | | Release date: | 2016-10-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Bidirectional Allosteric Communication between the ATP-Binding Site and the Regulatory PIF Pocket in PDK1 Protein Kinase.
Cell Chem Biol, 23, 2016
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5NAD
 | | TTK kinase domain in complex with BAY 1217389 | | Descriptor: | BAY 1217389, Dual specificity protein kinase TTK | | Authors: | Uitdehaag, J.C.M, Willemsen-Seegers, N, Sterrenburg, J.G, de Man, J, Buijsman, R.C, Zaman, G.J.R. | | Deposit date: | 2017-02-27 | | Release date: | 2017-05-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity.
J. Mol. Biol., 429, 2017
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6SP7
 | | Crystal Structure of the VIM-2 Acquired Metallo-beta-Lactamase in Complex with Taniborbactam (VNRX-5133) | | Descriptor: | (4~{R})-4-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid, ACETATE ION, Metallo-beta-lactamase VIM-2, ... | | Authors: | Docquier, J.D, Pozzi, C, De Luca, F, Benvenuti, M, Mangani, S. | | Deposit date: | 2019-08-31 | | Release date: | 2020-01-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of Taniborbactam (VNRX-5133): A Broad-Spectrum Serine- and Metallo-beta-lactamase Inhibitor for Carbapenem-Resistant Bacterial Infections.
J.Med.Chem., 63, 2020
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5XAN
 | | Crystal structure of SecDF in I form (P212121 space group) | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, POLYETHYLENE GLYCOL (N=34), Protein translocase subunit SecD | | Authors: | Tsukazaki, T, Tanaka, Y, Furukwa, A. | | Deposit date: | 2017-03-14 | | Release date: | 2017-05-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Tunnel Formation Inferred from the I-Form Structures of the Proton-Driven Protein Secretion Motor SecDF
Cell Rep, 19, 2017
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5NBW
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5NCJ
 | | GriE in complex with manganese, succinate and (2S,4R)-5-hydroxyleucine | | Descriptor: | (2S,4R)-5-hydroxyleucine, Leucine hydroxylase, MANGANESE (II) ION, ... | | Authors: | Lukat, P, Blankenfeldt, W, Mueller, R. | | Deposit date: | 2017-03-05 | | Release date: | 2017-10-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.529 Å) | | Cite: | Biosynthesis of methyl-proline containing griselimycins, natural products with anti-tuberculosis activity.
Chem Sci, 8, 2017
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5X3F
 | | Crystal structure of the YgjG-Protein A-Zpa963-PKA catalytic domain | | Descriptor: | Putrescine aminotransferase,Immunoglobulin G-binding protein A, Zpa963,cAMP-dependent protein kinase catalytic subunit alpha | | Authors: | Youn, S.J, Kwon, N.Y, Lee, J.H, Kim, J.H, Lee, H, Lee, J.O. | | Deposit date: | 2017-02-05 | | Release date: | 2017-06-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.38 Å) | | Cite: | Construction of novel repeat proteins with rigid and predictable structures using a shared helix method.
Sci Rep, 7, 2017
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7UU5
 | | Crystal structure of APOBEC3G complex with 5'-Overhang dsRNA | | Descriptor: | DNA dC->dU-editing enzyme APOBEC-3G, RNA (5'-R(P*UP*AP*AP*CP*CP*GP*CP*AP*GP*CP*G)-3'), RNA (5'-R(P*UP*AP*AP*CP*GP*CP*UP*GP*CP*GP*G)-3'), ... | | Authors: | Yang, H, Li, S, Chen, X.S. | | Deposit date: | 2022-04-28 | | Release date: | 2023-01-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural basis of sequence-specific RNA recognition by the antiviral factor APOBEC3G.
Nat Commun, 13, 2022
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6S9J
 | | Crystal structure of TfR1 mimicry in complex with GP1 from MACV | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Pre-glycoprotein polyprotein GP complex, ... | | Authors: | Diskin, R, Cohen-Dvashi, H. | | Deposit date: | 2019-07-15 | | Release date: | 2020-01-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.698 Å) | | Cite: | Rational design of universal immunotherapy for TfR1-tropic arenaviruses.
Nat Commun, 11, 2020
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5JN8
 | | Crystal Structure for the complex of human carbonic anhydrase IV and acetazolamide | | Descriptor: | 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, ACETATE ION, Carbonic anhydrase 4, ... | | Authors: | Chen, Z, Waheed, A, Di Cera, E, Sly, W.S. | | Deposit date: | 2016-04-29 | | Release date: | 2017-05-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Intrinsic thermodynamics of high affinity inhibitor binding to recombinant human carbonic anhydrase IV.
Eur. Biophys. J., 47, 2018
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5XHB
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7LET
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7LEU
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6SBX
 | | CdbA Form Two | | Descriptor: | CdbA | | Authors: | Lovering, A.L, Cadby, I.T. | | Deposit date: | 2019-07-22 | | Release date: | 2020-04-22 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | CdbA is a DNA-binding protein and c-di-GMP receptor important for nucleoid organization and segregation in Myxococcus xanthus.
Nat Commun, 11, 2020
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6K1N
 | | PLP-bound form of a putative cystathionine gamma-lyase | | Descriptor: | Cystathionine gamma-lyase, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Chen, S, Wang, Y. | | Deposit date: | 2019-05-10 | | Release date: | 2020-05-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Structural characterization of cystathionine gamma-lyase smCSE enables aqueous metal quantum dot biosynthesis.
Int.J.Biol.Macromol., 174, 2021
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5JEU
 | | del-[Ru(phen)2(dppz)]2+ bound to d(TCGGCGCCGA) with Ba2+ | | Descriptor: | BARIUM ION, CHLORIDE ION, DNA (5'-D(*TP*CP*GP*GP*CP*GP*CP*CP*GP*A)-3'), ... | | Authors: | Hall, J.P, Cardin, C.J. | | Deposit date: | 2016-04-19 | | Release date: | 2016-09-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | Delta chirality ruthenium 'light-switch' complexes can bind in the minor groove of DNA with five different binding modes.
Nucleic Acids Res., 44, 2016
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6TEL
 | | Crystal structure of Dot1L in complex with an inhibitor (compound 10). | | Descriptor: | Histone-lysine N-methyltransferase, H3 lysine-79 specific, POTASSIUM ION, ... | | Authors: | Scheufler, C, Stauffer, F, Be, C, Moebitz, H. | | Deposit date: | 2019-11-12 | | Release date: | 2019-12-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | New Potent DOT1L Inhibitors forin VivoEvaluation in Mouse.
Acs Med.Chem.Lett., 10, 2019
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5JEY
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5VC6
 | | crystal structure of human WEE1 kinase domain in complex with PHA-848125 | | Descriptor: | 1,2-ETHANEDIOL, N,1,4,4-TETRAMETHYL-8-{[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]AMINO}-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE, Wee1-like protein kinase | | Authors: | Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2017-03-31 | | Release date: | 2017-08-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Basis of Wee Kinases Functionality and Inactivation by Diverse Small Molecule Inhibitors.
J. Med. Chem., 60, 2017
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