6SFG
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![BU of 6sfg by Molmil](/molmil-images/mine/6sfg) | CRYSTAL STRUCTURE OF DHQ1 FROM SALMONELLA TYPHI COVALENTLY MODIFIED BY COMPOUND 9 | Descriptor: | (1~{R},3~{S},4~{R},5~{R})-3-methyl-4,5-bis(hydroxyl)cyclohexane-1-carboxylic acid, (1~{S},3~{R},4~{S},5~{R})-3-methyl-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic Acid, 3-dehydroquinate dehydratase | Authors: | Sanz-Gaitero, M, Lence, E, Maneiro, M, Thompson, R, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | Deposit date: | 2019-08-01 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Self-Immolation of a Bacterial Dehydratase Enzyme by its Epoxide Product. Chemistry, 26, 2020
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6NOV
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![BU of 6nov by Molmil](/molmil-images/mine/6nov) | A Fab derived from ixekizumab | Descriptor: | DODECAETHYLENE GLYCOL, Fab Heavy Chain, Fab Light Chain | Authors: | Durbin, J.D, Clawson, D.K, Lu, F, Tian, Y, Lu, J, Schmitt, M, Atwell, S. | Deposit date: | 2019-01-16 | Release date: | 2019-06-19 | Last modified: | 2019-08-14 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Development of tibulizumab, a tetravalent bispecific antibody targeting BAFF and IL-17A for the treatment of autoimmune disease. Mabs, 11, 2019
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5UI6
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![BU of 5ui6 by Molmil](/molmil-images/mine/5ui6) | Solution NMR Structure of Lasso Peptide Acinetodin | Descriptor: | Acinetodin | Authors: | Bushin, L.B, Metelev, M, Severinov, K, Seyedsayamdost, M.R. | Deposit date: | 2017-01-12 | Release date: | 2017-02-08 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Acinetodin and Klebsidin, RNA Polymerase Targeting Lasso Peptides Produced by Human Isolates of Acinetobacter gyllenbergii and Klebsiella pneumoniae. ACS Chem. Biol., 12, 2017
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1Y8V
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![BU of 1y8v by Molmil](/molmil-images/mine/1y8v) | Crystal structure of the A-DNA GCGTAT*CGC with a 2'-O-propyl Thymidine (T*) | Descriptor: | 5'-D(*GP*CP*GP*TP*AP*(P2T)P*AP*CP*GP*C)-3' | Authors: | Egli, M, Minasov, G, Tereshko, V, Pallan, P.S, Teplova, M, Inamati, G.B, Lesnik, E.A, Owens, S.R, Ross, B.S, Prakash, T.P, Manoharan, M. | Deposit date: | 2004-12-13 | Release date: | 2005-06-28 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Probing the Influence of Stereoelectronic Effects on the Biophysical Properties of Oligonucleotides: Comprehensive Analysis of the RNA Affinity, Nuclease Resistance, and Crystal Structure of Ten 2'-O-Ribonucleic Acid Modifications. Biochemistry, 44, 2005
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3O6R
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![BU of 3o6r by Molmil](/molmil-images/mine/3o6r) | Crystal Structure of 4-Chlorocatechol Dioxygenase from Rhodococcus opacus 1CP in complex with pyrogallol | Descriptor: | (2R)-3-(PHOSPHONOOXY)-2-(TETRADECANOYLOXY)PROPYL PALMITATE, BENZENE-1,2,3-TRIOL, Chlorocatechol 1,2-dioxygenase, ... | Authors: | Ferraroni, M, Briganti, F, Kolomitseva, M, Golovleva, L. | Deposit date: | 2010-07-29 | Release date: | 2011-08-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | X-ray structures of 4-chlorocatechol 1,2-dioxygenase adducts with substituted catechols: new perspectives in the molecular basis of intradiol ring cleaving dioxygenases specificity. J. Struct. Biol., 181, 2013
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3OFJ
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![BU of 3ofj by Molmil](/molmil-images/mine/3ofj) | Crystal structure of N-methyltransferase NodS from Bradyrhizobium japonicum WM9 | Descriptor: | Nodulation protein S | Authors: | Cakici, O, Sikorski, M, Stepkowski, T, Bujacz, G, Jaskolski, M. | Deposit date: | 2010-08-15 | Release date: | 2010-10-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Crystal Structures of NodS N-Methyltransferase from Bradyrhizobium japonicum in Ligand-Free Form and as SAH Complex. J.Mol.Biol., 404, 2010
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8AF4
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![BU of 8af4 by Molmil](/molmil-images/mine/8af4) | Room temperature SSX structure of GH11 xylanase from Nectria haematococca (40000 frames) | Descriptor: | Endo-1,4-beta-xylanase | Authors: | Oberthuer, D, Andaleeb, H, Betzel, C, Perbandt, M, Yefanov, O, Zielinski, K. | Deposit date: | 2022-07-15 | Release date: | 2022-11-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Rapid and efficient room-temperature serial synchrotron crystallography using the CFEL TapeDrive. Iucrj, 9, 2022
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8AF8
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![BU of 8af8 by Molmil](/molmil-images/mine/8af8) | Room temperature SSX crystal structure of CTX-M-14 (5K dataset) | Descriptor: | Beta-lactamase, SULFATE ION | Authors: | Oberthuer, D, Perbandt, M, Prester, A, Rohde, H, Betzel, C, Yefanov, O. | Deposit date: | 2022-07-15 | Release date: | 2022-11-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Rapid and efficient room-temperature serial synchrotron crystallography using the CFEL TapeDrive. Iucrj, 9, 2022
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1LQM
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![BU of 1lqm by Molmil](/molmil-images/mine/1lqm) | ESCHERICHIA COLI URACIL-DNA GLYCOSYLASE COMPLEX WITH URACIL-DNA GLYCOSYLASE INHIBITOR PROTEIN | Descriptor: | URACIL-DNA GLYCOSYLASE, URACIL-DNA GLYCOSYLASE INHIBITOR | Authors: | Saikrishnan, K, Sagar, M.B, Ravishankar, R, Roy, S, Purnapatre, K, Varshney, U, Vijayan, M. | Deposit date: | 2002-05-10 | Release date: | 2002-11-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Domain closure and action of uracil DNA glycosylase (UDG): structures of new crystal forms containing the Escherichia coli enzyme and a comparative study of the known structures involving UDG. Acta Crystallogr.,Sect.D, 58, 2002
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8AF5
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![BU of 8af5 by Molmil](/molmil-images/mine/8af5) | Room temperature SSX structure of GH11 xylanase from Nectria haematococca (10000 frames) | Descriptor: | Endo-1,4-beta-xylanase | Authors: | Oberthuer, D, Andaleeb, H, Betzel, C, Perbandt, M, Yefanov, O, Zielinski, K. | Deposit date: | 2022-07-15 | Release date: | 2022-11-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Rapid and efficient room-temperature serial synchrotron crystallography using the CFEL TapeDrive. Iucrj, 9, 2022
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1UHA
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![BU of 1uha by Molmil](/molmil-images/mine/1uha) | Crystal Structure of Pokeweed Lectin-D2 | Descriptor: | CALCIUM ION, lectin-D2 | Authors: | Fujii, T, Hayashida, M, Hamasu, M, Ishiguro, M, Hata, Y. | Deposit date: | 2003-06-27 | Release date: | 2004-04-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structures of two lectins from the roots of pokeweed (Phytolacca americana). Acta Crystallogr.,Sect.D, 60, 2004
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1LMT
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![BU of 1lmt by Molmil](/molmil-images/mine/1lmt) | |
1BBZ
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![BU of 1bbz by Molmil](/molmil-images/mine/1bbz) | |
6NFW
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![BU of 6nfw by Molmil](/molmil-images/mine/6nfw) | |
2CD1
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![BU of 2cd1 by Molmil](/molmil-images/mine/2cd1) | |
5E37
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![BU of 5e37 by Molmil](/molmil-images/mine/5e37) | Redox protein from Chlamydomonas reinhardtii | Descriptor: | CALCIUM ION, EF-Hand domain-containing thioredoxin | Authors: | Charoenwattansatien, R, Hochmal, A.K, Zinzius, K, Muto, R, Tanaka, H, Hippler, M, Kurisu, G. | Deposit date: | 2015-10-02 | Release date: | 2016-06-22 | Last modified: | 2020-02-19 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Calredoxin represents a novel type of calcium-dependent sensor-responder connected to redox regulation in the chloroplast Nat Commun, 7, 2016
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1ULN
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![BU of 1uln by Molmil](/molmil-images/mine/1uln) | Crystal Structure of Pokeweed Lectin-D1 | Descriptor: | lectin-D | Authors: | Fujii, T, Hayashida, M, Hamasu, M, Ishiguro, M, Hata, Y. | Deposit date: | 2003-09-16 | Release date: | 2004-04-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structures of two lectins from the roots of pokeweed (Phytolacca americana). Acta Crystallogr.,Sect.D, 60, 2004
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5EC9
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![BU of 5ec9 by Molmil](/molmil-images/mine/5ec9) | Retinoic acid receptor alpha in complex with chiral dihydrobenzofuran benzoic acid 9a and a fragment of the coactivator TIF2 | Descriptor: | 4-[(11S,15R)-4,4,7,7-Tetramethyl-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,8-trien-11-yl]benzoic acid, LYS-HIS-LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN-ASP, Retinoic acid receptor RXR-alpha | Authors: | Leysen, S, Ottmann, C, Schafer, A, Scheepstra, M, Brunsveld, L, Sunden, R, Ma, J.N, Burnstein, E.S, Olsson, R. | Deposit date: | 2015-10-20 | Release date: | 2016-03-09 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Chiral Dihydrobenzofuran Acids Show Potent Retinoid X Receptor-Nuclear Receptor Related 1 Protein Dimer Activation. J.Med.Chem., 59, 2016
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1BDA
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![BU of 1bda by Molmil](/molmil-images/mine/1bda) | |
5ED3
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![BU of 5ed3 by Molmil](/molmil-images/mine/5ed3) | crystal structure of human Hint1 complexing with AP5A | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE MONOPHOSPHATE, Histidine triad nucleotide-binding protein 1 | Authors: | Wang, J, Fang, P, Guo, M. | Deposit date: | 2015-10-20 | Release date: | 2017-01-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.309 Å) | Cite: | Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells. Nat Commun, 10, 2019
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1ULM
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![BU of 1ulm by Molmil](/molmil-images/mine/1ulm) | Crystal Structure of Pokeweed Lectin-D2 complexed with tri-N-acetylchitotriose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, lectin-D2 | Authors: | Hayashida, M, Fujii, T, Ishiguro, M, Hata, Y. | Deposit date: | 2003-09-12 | Release date: | 2003-12-23 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Similarity between protein-protein and protein-carbohydrate interactions, revealed by two crystal structures of lectins from the roots of pokeweed. J.Mol.Biol., 334, 2003
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7OAM
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![BU of 7oam by Molmil](/molmil-images/mine/7oam) | Kinase domain of MERTK in complex with compound 8 | Descriptor: | 1,2-ETHANEDIOL, 2-[[2,5-bis(fluoranyl)phenyl]methylamino]-4-(cyclopentylamino)-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide, Tyrosine-protein kinase Mer | Authors: | Schroeder, M, Russ, N, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2021-04-19 | Release date: | 2021-05-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Design and Development of a Chemical Probe for Pseudokinase Ca 2+ /calmodulin-Dependent Ser/Thr Kinase. J.Med.Chem., 64, 2021
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2PD0
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![BU of 2pd0 by Molmil](/molmil-images/mine/2pd0) | Protein cgd2_2020 from Cryptosporidium parvum | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Hypothetical protein | Authors: | Cymborowski, M, Chruszcz, M, Hills, T, Lew, J, Melone, M, Zhao, Y, Artz, J, Wernimont, A, Edwards, A, Sundstrom, M, Weigelt, J, Bochkarev, A, Arrowsmith, C, Hui, R, Minor, W, Structural Genomics Consortium (SGC) | Deposit date: | 2007-03-30 | Release date: | 2007-04-17 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Protein cgd2_2020 from Cryptosporidium parvum To be Published
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6HVE
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![BU of 6hve by Molmil](/molmil-images/mine/6hve) | Kinase domain of cSrc in complex with compound 9 | Descriptor: | Proto-oncogene tyrosine-protein kinase Src, ~{N}-[3-(4-methoxy-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]prop-2-enamide | Authors: | Keul, M, Mueller, M.P, Rauh, D. | Deposit date: | 2018-10-10 | Release date: | 2019-10-23 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Inhibition of osimertinib-resistant epidermal growth factor receptor EGFR-T790M/C797S. Chem Sci, 10, 2019
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6W8M
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![BU of 6w8m by Molmil](/molmil-images/mine/6w8m) | Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments | Descriptor: | 2-oxo-1,2-dihydroquinazoline-4-carboxylic acid, Nonstructural polyprotein | Authors: | Zhang, S, Garzan, A, Pathak, A.K, Augelli-Szafran, C.E, Wu, M. | Deposit date: | 2020-03-20 | Release date: | 2021-01-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design. Plos One, 16, 2021
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