2J0Z
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![BU of 2j0z by Molmil](/molmil-images/mine/2j0z) | p53 tetramerization domain wild type | Descriptor: | CELLULAR TUMOR ANTIGEN P53 | Authors: | Carbajo, R.J, Mora, P, Sanchez del Pino, M.M, Perez-Paya, E, Pineda-Lucena, A. | Deposit date: | 2006-08-08 | Release date: | 2007-08-28 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solvent-exposed residues located in the beta-sheet modulate the stability of the tetramerization domain of p53--a structural and combinatorial approach. Proteins, 71, 2008
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6NWT
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![BU of 6nwt by Molmil](/molmil-images/mine/6nwt) | RORgamma Ligand Binding Domain | Descriptor: | 1,1,1,3,3,3-hexafluoro-2-[2-fluoro-4'-({4-[(pyridin-4-yl)methyl]piperazin-1-yl}methyl)[1,1'-biphenyl]-4-yl]propan-2-ol, Nuclear receptor ROR-gamma | Authors: | Strutzenberg, T.S, Park, H, Griffin, P.R. | Deposit date: | 2019-02-07 | Release date: | 2019-07-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | HDX-MS reveals structural determinants for ROR gamma hyperactivation by synthetic agonists. Elife, 8, 2019
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4DD1
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![BU of 4dd1 by Molmil](/molmil-images/mine/4dd1) | EVAL processed HEWL, cisplatin aqueous paratone | Descriptor: | 2-methylprop-1-ene, Lysozyme C | Authors: | Tanley, S.W, Schreurs, A.M, Kroon-Batenburg, L.M, Meredith, J, Prendergast, R, Walsh, D, Bryant, P, Levy, C, Helliwell, J.R. | Deposit date: | 2012-01-18 | Release date: | 2012-04-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural studies of the effect that dimethyl sulfoxide (DMSO) has on cisplatin and carboplatin binding to histidine in a protein. Acta Crystallogr.,Sect.D, 68, 2012
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2IL5
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4DAP
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![BU of 4dap by Molmil](/molmil-images/mine/4dap) | The structure of Escherichia coli SfsA | Descriptor: | SODIUM ION, Sugar fermentation stimulation protein A | Authors: | Baker, P.J, Allen, F.L. | Deposit date: | 2012-01-13 | Release date: | 2013-08-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The structure of SfsA and its DNA complex; A DNA/RNA nuclease with a novel domain combination To be Published
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6NXW
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![BU of 6nxw by Molmil](/molmil-images/mine/6nxw) | Crystal structure of Arabidopsis thaliana cytosolic triosephosphate isomerase C218S mutant | Descriptor: | Triosephosphate isomerase, cytosolic | Authors: | Jimenez-Sandoval, P, Diaz-Quezada, C, Torres-Larios, A, Brieba, L.G. | Deposit date: | 2019-02-10 | Release date: | 2020-02-19 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural basis for the modulation of plant cytosolic triosephosphate isomerase activity by mimicry of redox-based modifications. Plant J., 99, 2019
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4DDA
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![BU of 4dda by Molmil](/molmil-images/mine/4dda) | EVAL processed HEWL, NAG | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Lysozyme C | Authors: | Tanley, S.W, Schreurs, A.M, Kroon-Batenburg, L.M, Meredith, J, Prendergast, R, Walsh, D, Bryant, P, Levy, C, Helliwell, J.R. | Deposit date: | 2012-01-18 | Release date: | 2012-04-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Structural studies of the effect that dimethyl sulfoxide (DMSO) has on cisplatin and carboplatin binding to histidine in a protein. Acta Crystallogr.,Sect.D, 68, 2012
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4DHS
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![BU of 4dhs by Molmil](/molmil-images/mine/4dhs) | Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening | Descriptor: | (2-{2-[(3,5-dichlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid, 14-3-3 PROTEIN SIGMA, CHLORIDE ION, ... | Authors: | Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C. | Deposit date: | 2012-01-30 | Release date: | 2013-07-31 | Last modified: | 2013-09-04 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions. Chem.Commun.(Camb.), 49, 2013
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4DJJ
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![BU of 4djj by Molmil](/molmil-images/mine/4djj) | Crystal structure of the complex of Peptidyl-tRNA hydrolase from Pseudomonas aeruginosa with Pimelic acid at 2.9 Angstrom resolution | Descriptor: | PIMELIC ACID, Peptidyl-tRNA hydrolase | Authors: | Kumar, A, Singh, A, Singh, N, Sinha, M, Sharma, S, Arora, A, Singh, T.P. | Deposit date: | 2012-02-02 | Release date: | 2012-03-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Crystal structure of the complex of Peptidyl-tRNA hydrolase from Pseudomonas aeruginosa with Pimelic acid at 2.9 Angstrom resolution To be Published
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2IIP
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![BU of 2iip by Molmil](/molmil-images/mine/2iip) | Human Nicotinamide N-methyltransferase | Descriptor: | Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Bernstein, G, Min, J, Wu, H, Tempel, W, Zeng, H, Loppnau, P, Avvakumov, G.V, Wasney, G, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | Deposit date: | 2006-09-28 | Release date: | 2006-10-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | The Crystal Structure of Human Nicotinamide N-methyltransferase in complex with SAH To be Published
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9BBH
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![BU of 9bbh by Molmil](/molmil-images/mine/9bbh) | Co-crystal structure of human DDB1 bound to fragment UB028670 | Descriptor: | 1,2-ETHANEDIOL, 4-methoxy-1H-indole, DNA damage-binding protein 1, ... | Authors: | Zeng, H, Dong, A, Frommlet, A, Seitova, A, Loppnau, P, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2024-04-05 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Co-crystal structure of human DDB1 bound to fragment UB028670 To be published
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2IST
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4DRF
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![BU of 4drf by Molmil](/molmil-images/mine/4drf) | Crystal Structure of Bacterial Pnkp-C/Hen1-N Heterodimer | Descriptor: | GLYCEROL, Metallophosphoesterase, Methyltransferase type 12 | Authors: | Huang, R.H, Wang, P. | Deposit date: | 2012-02-17 | Release date: | 2012-08-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Molecular basis of bacterial protein Hen1 activating the ligase activity of bacterial protein Pnkp for RNA repair. Proc.Natl.Acad.Sci.USA, 109, 2012
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2J4Y
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![BU of 2j4y by Molmil](/molmil-images/mine/2j4y) | Crystal structure of a rhodopsin stabilizing mutant expressed in mammalian cells | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, RETINAL, RHODOPSIN | Authors: | Standfuss, J, Xie, G, Edwards, P.C, Burghammer, M, Oprian, D.D, Schertler, G.F.X. | Deposit date: | 2006-09-07 | Release date: | 2007-09-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Crystal Structure of a Thermally Stable Rhodopsin Mutant. J.Mol.Biol., 372, 2007
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4WS7
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![BU of 4ws7 by Molmil](/molmil-images/mine/4ws7) | Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 5-chlorouracil, Form II | Descriptor: | 1,2-ETHANEDIOL, 5-chloropyrimidine-2,4(1H,3H)-dione, CHLORIDE ION, ... | Authors: | Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M. | Deposit date: | 2014-10-25 | Release date: | 2015-07-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications. Acta Crystallogr.,Sect.D, 71, 2015
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4WS0
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![BU of 4ws0 by Molmil](/molmil-images/mine/4ws0) | Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 5-fluorouracil (A), Form II | Descriptor: | 1,2-ETHANEDIOL, 5-FLUOROURACIL, CHLORIDE ION, ... | Authors: | Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M. | Deposit date: | 2014-10-25 | Release date: | 2015-07-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.974 Å) | Cite: | Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications. Acta Crystallogr.,Sect.D, 71, 2015
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4WRU
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![BU of 4wru by Molmil](/molmil-images/mine/4wru) | Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with uracil, Form II | Descriptor: | CHLORIDE ION, GLYCEROL, URACIL, ... | Authors: | Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M. | Deposit date: | 2014-10-25 | Release date: | 2015-07-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications. Acta Crystallogr.,Sect.D, 71, 2015
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4WS1
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![BU of 4ws1 by Molmil](/molmil-images/mine/4ws1) | Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 5-fluorouracil (AB), Form II | Descriptor: | 1,2-ETHANEDIOL, 5-FLUOROURACIL, CHLORIDE ION, ... | Authors: | Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M. | Deposit date: | 2014-10-25 | Release date: | 2015-07-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications. Acta Crystallogr.,Sect.D, 71, 2015
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9BKM
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![BU of 9bkm by Molmil](/molmil-images/mine/9bkm) | DHODH in complex with Ligand 10 | Descriptor: | (2M,6P)-2-(2-chloro-6-fluorophenyl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-4-(propan-2-yl)isoquinolin-1(2H)-one, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | Authors: | Shaffer, P.L. | Deposit date: | 2024-04-29 | Release date: | 2024-07-03 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Discovery of JNJ-74856665: A Novel Isoquinolinone DHODH Inhibitor for the Treatment of AML. J.Med.Chem., 67, 2024
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3N7K
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![BU of 3n7k by Molmil](/molmil-images/mine/3n7k) | Crystal structure of botulinum neurotoxin serotype C1 binding domain | Descriptor: | Botulinum neurotoxin type C1 | Authors: | Fu, Z, Kroken, A, Karalewitz, A, Baldwin, M.R, Barbieri, J.T, Kim, J.-J.P. | Deposit date: | 2010-05-27 | Release date: | 2010-09-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Identification of a Unique Ganglioside Binding Loop within Botulinum Neurotoxins C and D-SA . Biochemistry, 49, 2010
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4LPL
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![BU of 4lpl by Molmil](/molmil-images/mine/4lpl) | Structure of CBM32-1 from a family 31 glycoside hydrolase from Clostridium perfringens | Descriptor: | CALCIUM ION, Glycosyl hydrolase, family 31/fibronectin type III domain protein, ... | Authors: | Grondin, J.M, Duan, D, Heather, F.S, Spencer, C.A, Allingham, J.S, Smith, S.P. | Deposit date: | 2013-07-16 | Release date: | 2014-07-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Diverse modes of galacto-specific carbohydrate recognition by a family 31 glycoside hydrolase from Clostridium perfringens. Plos One, 12, 2017
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4V9K
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![BU of 4v9k by Molmil](/molmil-images/mine/4v9k) | 70S ribosome translocation intermediate GDPNP-I containing elongation factor EFG/GDPNP, mRNA, and tRNA bound in the pe*/E state. | Descriptor: | 23S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | Authors: | Zhou, J, Lancaster, L, Donohue, J.P, Noller, H.F. | Deposit date: | 2013-04-24 | Release date: | 2014-07-09 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Crystal structures of EF-G-ribosome complexes trapped in intermediate states of translocation. Science, 340, 2013
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4V95
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![BU of 4v95 by Molmil](/molmil-images/mine/4v95) | Crystal structure of YAEJ bound to the 70S ribosome | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S Ribosomal Protein S10, ... | Authors: | Gagnon, M.G, Seetharaman, S.V, Bulkley, D.P, Steitz, T.A. | Deposit date: | 2012-01-27 | Release date: | 2014-07-09 | Last modified: | 2018-07-11 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural basis for the rescue of stalled ribosomes: structure of YaeJ bound to the ribosome. Science, 335, 2012
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8ZN1
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![BU of 8zn1 by Molmil](/molmil-images/mine/8zn1) | Structure of erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii at 3.00 A resolution | Descriptor: | Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION | Authors: | Viswanathan, V, Kumari, A, Singh, A, Kumar, A, Sharma, P, Chopra, S, Sharma, S, Raje, C.I, Singh, T.P. | Deposit date: | 2024-05-25 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii at 3.00 A resolution To Be Published
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9BKN
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![BU of 9bkn by Molmil](/molmil-images/mine/9bkn) | DHODH in complex with Ligand 16 | Descriptor: | (2P,6P)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-2-(2-methylphenyl)-4-(propan-2-yl)isoquinolin-1(2H)-one, ACETATE ION, CHLORIDE ION, ... | Authors: | Shaffer, P.L. | Deposit date: | 2024-04-29 | Release date: | 2024-07-03 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Discovery of JNJ-74856665: A Novel Isoquinolinone DHODH Inhibitor for the Treatment of AML. J.Med.Chem., 67, 2024
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