8B1Z
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![BU of 8b1z by Molmil](/molmil-images/mine/8b1z) | NDM-1 metallo-beta-lactamase in complex with triazole-based inhibitor CP56 | Descriptor: | 1,2-ETHANEDIOL, 3-[(~{E})-[3-sulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]iminomethyl]benzoic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Vascon, F, Lazzarato, L, Bersani, M, Gianquinto, E, Docquier, J.D, Spyrakis, F, Tondi, D, Cendron, L. | Deposit date: | 2022-09-12 | Release date: | 2023-12-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-Based Optimization of 1,2,4-Triazole-3-Thione Derivatives: Improving Inhibition of NDM-/VIM-Type Metallo-beta-Lactamases and Synergistic Activity on Resistant Bacteria. Pharmaceuticals, 16, 2023
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8B1W
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![BU of 8b1w by Molmil](/molmil-images/mine/8b1w) | NDM-1 metallo-beta-lactamase in complex with triazole-based inhibitor CP35 | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-[(~{E})-(3-bromophenyl)methylideneamino]-5-(trifluoromethyl)-1,2,4-triazole-3-thiol, ... | Authors: | Vascon, F, Lazzarato, L, Bersani, M, Gianquinto, E, Docquier, J.D, Spyrakis, F, Tondi, D, Cendron, L. | Deposit date: | 2022-09-12 | Release date: | 2023-12-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure-Based Optimization of 1,2,4-Triazole-3-Thione Derivatives: Improving Inhibition of NDM-/VIM-Type Metallo-beta-Lactamases and Synergistic Activity on Resistant Bacteria. Pharmaceuticals, 16, 2023
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3DRG
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![BU of 3drg by Molmil](/molmil-images/mine/3drg) | Lactococcal OppA complexed with bradykinin in the closed conformation | Descriptor: | Bradykinin, CHLORIDE ION, Oligopeptide-binding protein oppA | Authors: | Berntsson, R.P.-A, Doeven, M.K, Duurkens, R.H, Sengupta, D, Marrink, S.-J, Thunnissen, A.-M, Poolman, B, Slotboom, D.-J. | Deposit date: | 2008-07-11 | Release date: | 2009-03-31 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The structural basis for peptide selection by the transport receptor OppA Embo J., 28, 2009
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4A8L
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![BU of 4a8l by Molmil](/molmil-images/mine/4a8l) | Protein crystallization and microgravity: glucose isomerase crystals grown during the PCDF-PROTEIN mission | Descriptor: | 1,2-ETHANEDIOL, COBALT (II) ION, XYLOSE ISOMERASE | Authors: | Decanniere, K, Patino-Lopez, L.-D, Sleutel, M, Evrard, C, Van De Weerdt, C, Haumont, E, Gavira, J.A, Otalora, F, Maes, D. | Deposit date: | 2011-11-21 | Release date: | 2011-11-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Protein Crystallization and Microgravity: Glucose Isomerase Crystals Grown During the Pcdf-Protein Mission To be Published
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5V8D
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![BU of 5v8d by Molmil](/molmil-images/mine/5v8d) | Structure of Bacillus cereus PatB1 with sulfonyl adduct | Descriptor: | Bacillus cereus PatB1, SULFATE ION | Authors: | Sychantha, D, Little, D.J, Chapman, R.N, Boons, G.J, Robinson, H, Howell, P.L, Clarke, A.J. | Deposit date: | 2017-03-21 | Release date: | 2017-10-18 | Last modified: | 2020-01-08 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | PatB1 is an O-acetyltransferase that decorates secondary cell wall polysaccharides. Nat. Chem. Biol., 14, 2018
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2GSJ
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![BU of 2gsj by Molmil](/molmil-images/mine/2gsj) | cDNA cloning and 1.75A crystal structure determination of PPL2, a novel chimerolectin from Parkia platycephala seeds exhibiting endochitinolytic activity | Descriptor: | SULFATE ION, protein PPL-2 | Authors: | Cavada, B.S, Moreno, F.B, da Rocha, B.A, de Azevedo Jr, W.F, Castellon, R.E.R, Goersch, G.V, Nagano, C.S, de Souza, E.P, Nascimento, K.S, Radis-Baptista, G, Delatorre, P, Leroy, Y, Toyama, M.H, Pinto, V.P, Sampaio, A.H, Barettino, D, Debray, H, Calvete, J.J, Sanz, L. | Deposit date: | 2006-04-26 | Release date: | 2007-03-13 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | cDNA cloning and 1.75 A crystal structure determination of PPL2, an endochitinase and N-acetylglucosamine-binding hemagglutinin from Parkia platycephala seeds Febs J., 273, 2006
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5VAI
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![BU of 5vai by Molmil](/molmil-images/mine/5vai) | Cryo-EM structure of the activated Glucagon-like peptide-1 receptor in complex with G protein | Descriptor: | Glucagon-like peptide 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Zhang, Y, Sun, B, Feng, D, Hu, H, Chu, M, Qu, Q, Tarrasch, J.T, Li, S, Kobilka, T.S, Kobilka, B.K, Skiniotis, G. | Deposit date: | 2017-03-27 | Release date: | 2017-05-24 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Cryo-EM structure of the activated GLP-1 receptor in complex with a G protein. Nature, 546, 2017
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8AFX
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![BU of 8afx by Molmil](/molmil-images/mine/8afx) | Single particle structure of Atg18-WT | Descriptor: | Autophagy-related protein 18 | Authors: | Mann, D, Fromm, S, Martinez-Sanchez, A, Gopaldass, N, Mayer, A, Sachse, C. | Deposit date: | 2022-07-18 | Release date: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (4.8 Å) | Cite: | Cryo-EM structures of Atg18 oligomers reveal a tilted structural scaffold for Atg2 at the isolation membrane To Be Published
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2GZB
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![BU of 2gzb by Molmil](/molmil-images/mine/2gzb) | Bauhinia bauhinioides cruzipain inhibitor (BbCI) | Descriptor: | IODIDE ION, Kunitz-type proteinase inhibitor BbCI | Authors: | Hansen, D, Macedo-Ribeiro, S, Navarro, M.V.A.S, Garratt, R.C, Oliva, M.L.V. | Deposit date: | 2006-05-11 | Release date: | 2007-07-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of a novel cysteinless plant Kunitz-type protease inhibitor. Biochem.Biophys.Res.Commun., 360, 2007
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2GTI
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![BU of 2gti by Molmil](/molmil-images/mine/2gti) | mutation of MHV coronavirus non-structural protein nsp15 (F307L) | Descriptor: | GLYCEROL, Replicase polyprotein 1ab, SULFATE ION | Authors: | Xu, X, Zhai, Y, Sun, F, Lou, Z, Su, D, Rao, Z. | Deposit date: | 2006-04-28 | Release date: | 2006-08-15 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | New Antiviral Target Revealed by the Hexameric Structure of Mouse Hepatitis Virus Nonstructural Protein nsp15 J.Virol., 80, 2006
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3UQ5
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![BU of 3uq5 by Molmil](/molmil-images/mine/3uq5) | X-ray structure of a pentameric ligand gated ion channel from Erwinia chrysanthemi (ELIC) mutant L240A F247L (L9A F16L) in the presence of 10 mM cysteamine | Descriptor: | Gamma-aminobutyric-acid receptor subunit beta-1, SODIUM ION | Authors: | Gonzalez-Gutierrez, G, Lukk, T, Agarwal, V, Papke, D, Nair, S.K, Grosman, C. | Deposit date: | 2011-11-19 | Release date: | 2012-04-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (4.2 Å) | Cite: | Mutations that stabilize the open state of the Erwinia chrisanthemi ligand-gated ion channel fail to change the conformation of the pore domain in crystals. Proc.Natl.Acad.Sci.USA, 109, 2012
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3DRK
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![BU of 3drk by Molmil](/molmil-images/mine/3drk) | Crystal structure of Lactococcal OppA co-crystallized with Neuropeptide S in an open conformation | Descriptor: | Neuropeptide S, Oligopeptide-binding protein oppA | Authors: | Berntsson, R.P.-A, Doeven, M.K, Duurkens, R.H, Sengupta, D, Marrink, S.-J, Thunnissen, A.-M, Poolman, B, Slotboom, D.-J. | Deposit date: | 2008-07-11 | Release date: | 2009-03-31 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The structural basis for peptide selection by the transport receptor OppA Embo J., 28, 2009
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3DDA
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![BU of 3dda by Molmil](/molmil-images/mine/3dda) | |
5UOI
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![BU of 5uoi by Molmil](/molmil-images/mine/5uoi) | Solution structure of the de novo mini protein HHH_rd1_0142 | Descriptor: | HHH_rd1_0142 | Authors: | Houliston, S, Rocklin, G.J, Lemak, A, Carter, L, Chidyausiku, T.M, Baker, D, Arrowsmith, C.H. | Deposit date: | 2017-01-31 | Release date: | 2017-07-26 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Global analysis of protein folding using massively parallel design, synthesis, and testing. Science, 357, 2017
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3UFZ
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![BU of 3ufz by Molmil](/molmil-images/mine/3ufz) | Crystal structure of a Trp-less green fluorescent protein translated by the universal genetic code | Descriptor: | Green fluorescent protein | Authors: | Kawahara-Kobayashi, A, Araiso, Y, Matsuda, T, Yokoyama, S, Kigawa, T, Nureki, O, Kiga, D. | Deposit date: | 2011-11-02 | Release date: | 2012-10-17 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Simplification of the genetic code: restricted diversity of genetically encoded amino acids. Nucleic Acids Res., 40, 2012
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5UMR
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![BU of 5umr by Molmil](/molmil-images/mine/5umr) | Crystal structure of N-terminal domain of human FACT complex subunit SSRP1 | Descriptor: | FACT complex subunit SSRP1 | Authors: | Su, D, Hu, Q, Thompson, J.R, Heroux, A, Botuyan, M.V, Mer, G. | Deposit date: | 2017-01-29 | Release date: | 2018-01-31 | Last modified: | 2019-12-04 | Method: | X-RAY DIFFRACTION (1.501 Å) | Cite: | Crystal structure of N-terminal domain of human FACT complex subunit SSRP1 To Be Published
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3UGT
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![BU of 3ugt by Molmil](/molmil-images/mine/3ugt) | Crystal structure of the yeast mitochondrial threonyl-tRNA synthetase - orthorhombic crystal form | Descriptor: | Threonyl-tRNA synthetase, mitochondrial, ZINC ION | Authors: | Peterson, K.M, Ling, J, Simonovic, I, Cho, C, Soll, D, Simonovic, M. | Deposit date: | 2011-11-02 | Release date: | 2012-02-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Yeast mitochondrial threonyl-tRNA synthetase recognizes tRNA isoacceptors by distinct mechanisms and promotes CUN codon reassignment. Proc.Natl.Acad.Sci.USA, 109, 2012
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8AZK
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![BU of 8azk by Molmil](/molmil-images/mine/8azk) | Bovine 20S proteasome, untreated | Descriptor: | Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ... | Authors: | Szenkier, N, Arie, M, Matzov, D, Sertchook, R, Carmeli, R, Cascio, P, Stanhill, A, Shalev Benami, M, Navon, A. | Deposit date: | 2022-09-06 | Release date: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Bovine 20S proteasome, untreated To be published
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5UQF
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![BU of 5uqf by Molmil](/molmil-images/mine/5uqf) | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Campylobacter jejuni in the complex with IMP and the inhibitor P225 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | Authors: | Kim, Y, Maltseva, N, Makowska-Grzyska, M, Gu, M, Gollapalli, D, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-02-08 | Release date: | 2017-03-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from
Campylobacter jejuni in the complex with IMP and the inhibitor P225 To Be Published
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3UIL
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![BU of 3uil by Molmil](/molmil-images/mine/3uil) | Crystal Structure of the complex of PGRP-S with lauric acid at 2.2 A resolution | Descriptor: | GLYCEROL, LAURIC ACID, Peptidoglycan recognition protein 1 | Authors: | Dube, D, Sharma, P, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2011-11-05 | Release date: | 2012-07-11 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis of the binding of fatty acids to peptidoglycan recognition protein, PGRP-S through second binding site Arch.Biochem.Biophys., 529, 2013
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2KJ5
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![BU of 2kj5 by Molmil](/molmil-images/mine/2kj5) | Solution NMR structure of a domain from a putative phage integrase protein Nmul_A0064 from Nitrosospira multiformis, Northeast Structural Genomics Consortium Target NmR46C | Descriptor: | Phage integrase | Authors: | Mills, J.L, Eletsky, A, Ghosh, A, Wang, D, Lee, H, Ciccosanti, C, Jiang, M, Nair, R, Rost, B, Swapna, G.V.T, Acton, T.B, Xiao, R, Everett, J.K, Prestegard, J.H, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2009-05-21 | Release date: | 2009-06-02 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution NMR structure of a domain from a putative phage integrase protein Nmul_A0064 from Nitrosospira multiformis, Northeast Structural Genomics Consortium Target NmR46C. To be Published
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8AND
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![BU of 8and by Molmil](/molmil-images/mine/8and) | Domain swapped dimer of smolstatin (stefin) from Sphaerospora molnari | Descriptor: | 1,2-ETHANEDIOL, Smolstatin | Authors: | Havlickova, P, Bartosova-Sojkova, P, Sojka, D, Kascakova, B, Gavira, J.A, Kuta Smatanova, I. | Deposit date: | 2022-08-05 | Release date: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.991 Å) | Cite: | Domain swapped dimer of smolstatin (stefin) from Sphaerospora molnari To Be Published
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5UUZ
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![BU of 5uuz by Molmil](/molmil-images/mine/5uuz) | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Bacillus anthracis in the complex with IMP and the inhibitor P200 | Descriptor: | 3-(2-{[(4-chlorophenyl)carbamoyl]amino}propan-2-yl)-N-hydroxybenzene-1-carboximidamide, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase, ... | Authors: | Kim, Y, Maltseva, N, Mulligan, R, Makowska-Grzyska, M, Gu, M, Gollapalli, D, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-02-17 | Release date: | 2017-03-08 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.496 Å) | Cite: | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from
Bacillus anthracis in the complex with IMP and the inhibitor P200 To Be Published
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3DZ8
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![BU of 3dz8 by Molmil](/molmil-images/mine/3dz8) | Crystal structure of human Rab3B GTPase bound with GDP | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Ras-related protein Rab-3B, UNKNOWN ATOM OR ION | Authors: | Shen, Y, Tong, Y, Sukumar, D, Tempel, W, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Wilkstrom, M, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2008-07-29 | Release date: | 2008-08-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of human Rab3B GTPase bound with GDP To be Published
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2KKA
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![BU of 2kka by Molmil](/molmil-images/mine/2kka) | Human telomere DNA two-tetrad quadruplex structure in K+ solution | Descriptor: | 5'-D(*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*IP*GP*GP*TP*TP*AP*GP*GP*GP*T)-3' | Authors: | Zhang, Z, Dai, J, Yang, D. | Deposit date: | 2009-06-16 | Release date: | 2009-12-15 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structure of a two-G-tetrad intramolecular G-quadruplex formed by a variant human telomeric sequence in K+ solution: insights into the interconversion of human telomeric G-quadruplex structures. Nucleic Acids Res., 38, 2010
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