5EJI
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![BU of 5eji by Molmil](/molmil-images/mine/5eji) | Crystal structure of NAD kinase W78F mutant from Listeria monocytogenes in complex with NADP/Mn++/PPi | Descriptor: | CITRIC ACID, MANGANESE (II) ION, NAD kinase 1, ... | Authors: | Poncet-Montange, G, Assairi, L, Gelin, M, Pochet, S, Labesse, G. | Deposit date: | 2015-11-01 | Release date: | 2016-11-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.292 Å) | Cite: | Crystal structure of NAD kinase W78F mutant from Listeria monocytogenes in complex with NADP/Mn++/PPi to be published
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4L4E
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![BU of 4l4e by Molmil](/molmil-images/mine/4l4e) | Structure of cyanide and camphor bound P450cam mutant L358A/K178G | Descriptor: | CAMPHOR, CYANIDE ION, Camphor 5-monooxygenase, ... | Authors: | Batabyal, D, Li, H, Poulos, T.L. | Deposit date: | 2013-06-07 | Release date: | 2013-07-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.261 Å) | Cite: | Synergistic Effects of Mutations in Cytochrome P450cam Designed To Mimic CYP101D1. Biochemistry, 52, 2013
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7LMF
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![BU of 7lmf by Molmil](/molmil-images/mine/7lmf) | SARS-CoV-2 3CLPro in complex with 2-(benzotriazol-1-yl)-N-[4-(1H-imidazol-4-yl)phenyl]-N-(3-thienylmethyl)acetamide | Descriptor: | 2-(benzotriazol-1-yl)-~{N}-[4-(1~{H}-imidazol-4-yl)phenyl]-~{N}-(thiophen-3-ylmethyl)ethanamide, 3C-like proteinase | Authors: | Goins, C.M, Arya, T, Macdonald, J.D, Stauffer, S.R. | Deposit date: | 2021-02-05 | Release date: | 2021-08-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-Based Optimization of ML300-Derived, Noncovalent Inhibitors Targeting the Severe Acute Respiratory Syndrome Coronavirus 3CL Protease (SARS-CoV-2 3CL pro ). J.Med.Chem., 65, 2022
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3GEK
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![BU of 3gek by Molmil](/molmil-images/mine/3gek) | Crystal structure of putative thioesterase yhdA from Lactococcus lactis. Northeast Structural Genomics Consortium Target KR113 | Descriptor: | Putative thioesterase yhdA | Authors: | Kuzin, A.P, Su, M, Seetharaman, R, Lee, D, Foote, E.L, Ciccosanti, C, Janjua, H, Xiao, R, Nair, R, Rost, B, Acton, T.B, Everett, J.K, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2009-02-25 | Release date: | 2009-03-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | X-Ray structure of putative thioesterase yhdA from Lactococcus lactis. Northeast Structural Genomics Consortium Target KR113 To be published
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5DFS
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![BU of 5dfs by Molmil](/molmil-images/mine/5dfs) | Crystal structure of Spider Monkey Cytochrome C at 1.15 Angstrom | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Cytochrome c, ... | Authors: | MOU, T.C, McClelland, L.J, Jeakins-Cooley, M.E, Goldes, M.E, SPRANG, S.R, BOWLER, B.E. | Deposit date: | 2015-08-27 | Release date: | 2016-03-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Disruption of a hydrogen bond network in human versus spider monkey cytochrome c affects heme crevice stability. J.Inorg.Biochem., 158, 2016
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7LG5
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![BU of 7lg5 by Molmil](/molmil-images/mine/7lg5) | |
5DG2
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![BU of 5dg2 by Molmil](/molmil-images/mine/5dg2) | Sugar binding protein - human galectin-2 (dimer) | Descriptor: | Galectin-2, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Su, J.Y, Si, Y.L. | Deposit date: | 2015-08-27 | Release date: | 2016-09-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.612 Å) | Cite: | Human galectin-2 interacts with carbohydrates and peptides non-classically: new insight from X-ray crystallography and hemagglutination. Acta Biochim. Biophys. Sin. (Shanghai), 48, 2016
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2ZRT
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![BU of 2zrt by Molmil](/molmil-images/mine/2zrt) | Crystal structure of Zn2+-bound form of des3-23ALG-2 | Descriptor: | Programmed cell death protein 6, ZINC ION | Authors: | Suzuki, H, Kawasaki, M, Kakiuchi, T, Shibata, H, Wakatsuki, S, Maki, M. | Deposit date: | 2008-09-01 | Release date: | 2008-11-04 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Crystallization and X-ray diffraction analysis of N-terminally truncated human ALG-2 ACTA CRYSTALLOGR.,SECT.F, 64, 2008
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2EBA
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![BU of 2eba by Molmil](/molmil-images/mine/2eba) | |
5EGS
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![BU of 5egs by Molmil](/molmil-images/mine/5egs) | Human PRMT6 with bound fragment-type inhibitor | Descriptor: | 2-[4-(phenylmethyl)piperidin-1-yl]ethanamine, Protein arginine N-methyltransferase 6, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Steuber, H, Egner, U, Kania, J, Wu, H, Brown, P.J. | Deposit date: | 2015-10-27 | Release date: | 2016-02-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Discovery of a Potent Class I Protein Arginine Methyltransferase Fragment Inhibitor. J.Med.Chem., 59, 2016
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2ER7
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![BU of 2er7 by Molmil](/molmil-images/mine/2er7) | X-RAY ANALYSES OF ASPARTIC PROTEINASES.III. THREE-DIMENSIONAL STRUCTURE OF ENDOTHIAPEPSIN COMPLEXED WITH A TRANSITION-STATE ISOSTERE INHIBITOR OF RENIN AT 1.6 ANGSTROMS RESOLUTION | Descriptor: | ENDOTHIAPEPSIN, SULFATE ION, TRANSITION-STATE ISOSTERE INHIBITOR OF RENIN | Authors: | Veerapandian, B, Cooper, J.B, Szelke, M, Blundell, T.L. | Deposit date: | 1990-11-12 | Release date: | 1991-01-15 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | X-ray analyses of aspartic proteinases. III Three-dimensional structure of endothiapepsin complexed with a transition-state isostere inhibitor of renin at 1.6 A resolution. J.Mol.Biol., 216, 1990
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4L5Y
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![BU of 4l5y by Molmil](/molmil-images/mine/4l5y) | Methylthioadenosine phosphorylase from Schistosoma mansoni in APO form | Descriptor: | PHOSPHATE ION, S-methyl-5'-thioadenosine phosphorylase | Authors: | Torini, J.R, DeMarco, R, Brandao-Neto, J, Pereira, H.M. | Deposit date: | 2013-06-11 | Release date: | 2014-06-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.0957 Å) | Cite: | Crystal Structure of Schistosoma mansoni Adenosine Phosphorylase/5'-Methylthioadenosine Phosphorylase and Its Importance on Adenosine Salvage Pathway. Plos Negl Trop Dis, 10, 2016
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1NMT
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![BU of 1nmt by Molmil](/molmil-images/mine/1nmt) | |
7LVT
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![BU of 7lvt by Molmil](/molmil-images/mine/7lvt) | Structure of full-length GluK1 with L-Glu | Descriptor: | Isoform Glur5-2 of Glutamate receptor ionotropic, kainate 1 | Authors: | Meyerson, J.R, Selvakumar, P. | Deposit date: | 2021-02-26 | Release date: | 2021-11-03 | Last modified: | 2021-11-10 | Method: | ELECTRON MICROSCOPY (4.6 Å) | Cite: | Structural and compositional diversity in the kainate receptor family. Cell Rep, 37, 2021
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5EF1
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![BU of 5ef1 by Molmil](/molmil-images/mine/5ef1) | RADIATION DAMAGE TO THE TRAP-RNA COMPLEX: DOSE (DWD) 19.3 MGy | Descriptor: | (GAGUU)10GAG 53-NUCLEOTIDE RNA, TRYPTOPHAN, Transcription attenuation protein MtrB | Authors: | Bury, C.S, McGeehan, J.E, Garman, E.F, Shevtsov, M.B. | Deposit date: | 2015-10-23 | Release date: | 2016-05-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | RNA protects a nucleoprotein complex against radiation damage. Acta Crystallogr D Struct Biol, 72, 2016
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3G3A
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![BU of 3g3a by Molmil](/molmil-images/mine/3g3a) | |
2ZCT
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![BU of 2zct by Molmil](/molmil-images/mine/2zct) | Oxidation of archaeal peroxiredoxin involves a hypervalent sulfur intermediate | Descriptor: | Probable peroxiredoxin | Authors: | Nakamura, T, Hagihara, Y, Abe, M, Inoue, T, Yamamoto, T, Matsumura, H. | Deposit date: | 2007-11-12 | Release date: | 2008-05-27 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Oxidation of archaeal peroxiredoxin involves a hypervalent sulfur intermediate Proc.Natl.Acad.Sci.Usa, 105, 2008
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1NO6
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![BU of 1no6 by Molmil](/molmil-images/mine/1no6) | Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor Compound 5 Using a Linked-Fragment Strategy | Descriptor: | 2-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACID, Protein-tyrosine phosphatase, non-receptor type 1 | Authors: | Szczepankiewicz, B.G, Liu, G, Hajduk, P.J, Abad-Zapatero, C, Pei, Z, Xin, Z, Lubben, T, Trevillyan, J.M, Stashko, M.A, Ballaron, S.J, Liang, H, Huang, F, Hutchins, C.W, Fesik, S.W, Jirousek, M.R. | Deposit date: | 2003-01-15 | Release date: | 2003-04-08 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of a Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor
Using a Linked-Fragment Strategy J.Am.Chem.Soc., 125, 2003
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7RKT
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![BU of 7rkt by Molmil](/molmil-images/mine/7rkt) | |
5EFY
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![BU of 5efy by Molmil](/molmil-images/mine/5efy) | Apo-form of SCO3201 | Descriptor: | Putative tetR-family transcriptional regulator | Authors: | Waack, P, Hinrichs, W. | Deposit date: | 2015-10-26 | Release date: | 2016-11-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structures of free and ligand-bound forms of the TetR/AcrR-like regulator SCO3201 from Streptomyces coelicolor suggest a novel allosteric mechanism. Febs J., 2022
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5B7E
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![BU of 5b7e by Molmil](/molmil-images/mine/5b7e) | Structure of perdeuterated CueO | Descriptor: | Blue copper oxidase CueO, COPPER (II) ION, CU-O-CU LINKAGE, ... | Authors: | Akter, M, Higuchi, Y, Shibata, N. | Deposit date: | 2016-06-07 | Release date: | 2016-10-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Biochemical, spectroscopic and X-ray structural analysis of deuterated multicopper oxidase CueO prepared from a new expression construct for neutron crystallography Acta Crystallogr.,Sect.F, 72, 2016
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1NRZ
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![BU of 1nrz by Molmil](/molmil-images/mine/1nrz) | |
5EHC
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![BU of 5ehc by Molmil](/molmil-images/mine/5ehc) | Co-crystal structure of eIF4E with nucleotide mimetic inhibitor. | Descriptor: | 3-[[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-7-[(3-chlorophenyl)methyl]-6-oxidanylidene-1~{H}-purin-7-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]-4-oxidanyl-cyclobut-3-ene-1,2-dione, Eukaryotic translation initiation factor 4 gamma 1, Eukaryotic translation initiation factor 4E | Authors: | Nowicki, M.W, Walkinshaw, M.D, Fischer, P.M. | Deposit date: | 2015-10-28 | Release date: | 2016-09-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Design of nucleotide-mimetic and non-nucleotide inhibitors of the translation initiation factor eIF4E: Synthesis, structural and functional characterisation. Eur.J.Med.Chem., 124, 2016
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4LBU
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![BU of 4lbu by Molmil](/molmil-images/mine/4lbu) | tRNA guanine transglycosylase (TGT) in complex with Furanoside-Based lin-Benzoguanine 2 | Descriptor: | CHLORIDE ION, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | Authors: | Ehrmann, F.R, Heine, A, Klebe, G. | Deposit date: | 2013-06-21 | Release date: | 2014-12-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Replacement of Water Molecules in a Phosphate Binding Site by Furanoside-Appended lin-Benzoguanine Ligands of tRNA-Guanine Transglycosylase (TGT). Chemistry, 21, 2015
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5B8A
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![BU of 5b8a by Molmil](/molmil-images/mine/5b8a) | Crystal structure of oxidized chimeric EcAhpC1-186-YFSKHN | Descriptor: | Alkyl hydroperoxide reductase subunit C,Peroxiredoxin-2, GLYCEROL, SULFATE ION | Authors: | Kamariah, N, Sek, M.F, Eisenhaber, B, Eisenhaber, F, Gruber, G. | Deposit date: | 2016-06-14 | Release date: | 2017-02-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Transition steps in peroxide reduction and a molecular switch for peroxide robustness of prokaryotic peroxiredoxins. Sci Rep, 6, 2016
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