4WR2
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![BU of 4wr2 by Molmil](/molmil-images/mine/4wr2) | Crystal structure of a putative pyrimidine-specific ribonucleoside hydrolase (RihA) Protein from Shewanella loihica PV-4 (SHEW_0697, Target PSI-029635) with divalent cation and PEG 400 bound at the active site | Descriptor: | CALCIUM ION, PENTAETHYLENE GLYCOL, Pyrimidine-specific ribonucleoside hydrolase RihA | Authors: | Himmel, D.M, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Seidel, R.D, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2014-10-22 | Release date: | 2014-11-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of a putative pyrimidine-specific ribonucleoside hydrolase (RihA) Protein from Shewanella loihica PV-4 (SHEW_0697, Target PSI-029635) with divalent cation and PEG 400 bound at the active site To be published
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6IC7
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![BU of 6ic7 by Molmil](/molmil-images/mine/6ic7) | Human cathepsin-C in complex with dipeptidyl cyclopropyl nitrile inhibitor 3 | Descriptor: | 1-azanyl-~{N}-[(1~{R},2~{R})-1-cyano-2-[4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]cyclopropyl]cyclohexane-1-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Hakansson, M, Logan, D.T, Korkmaz, B, Lesner, A, Wysocka, M, Gieldon, A, Gauthier, F, Jenne, D, Lauritzen, C, Pedersen, J. | Deposit date: | 2018-12-02 | Release date: | 2019-04-24 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-based design and in vivo anti-arthritic activity evaluation of a potent dipeptidyl cyclopropyl nitrile inhibitor of cathepsin C. Biochem. Pharmacol., 164, 2019
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8WA3
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![BU of 8wa3 by Molmil](/molmil-images/mine/8wa3) | Cryo-EM structure of peptide free and Gs-coupled GIPR | Descriptor: | Gastric inhibitory polypeptide receptor,Fusion protein, 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,O-antigen polymerase, ... | Authors: | Cong, Z.T, Zhao, F.H, Li, Y, Luo, G, Zhou, Q.T, Yang, D.H, Wang, M.W. | Deposit date: | 2023-09-06 | Release date: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.86 Å) | Cite: | Molecular features of the ligand-free GLP-1R, GCGR and GIPR in complex with G s proteins. Cell Discov, 10, 2024
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6FV3
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![BU of 6fv3 by Molmil](/molmil-images/mine/6fv3) | Crystal structure of N-acetyl-D-glucosamine-6-phosphate deacetylase from Mycobacterium smegmatis. | Descriptor: | N-acetylglucosamine-6-phosphate deacetylase, ZINC ION | Authors: | Ahangar, M.S, Furze, C.M, Guy, C.S, Cooper, C, Maskew, K.S, Graham, B, Cameron, A.D, Fullam, E. | Deposit date: | 2018-02-28 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Structural and functional determination of homologs of theMycobacterium tuberculosis N-acetylglucosamine-6-phosphate deacetylase (NagA). J. Biol. Chem., 293, 2018
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5F8A
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![BU of 5f8a by Molmil](/molmil-images/mine/5f8a) | Crystal structure of the ternary EcoRV-DNA-Lu complex with uncleaved DNA substrate. Lanthanide binding to EcoRV-DNA complex inhibits cleavage. | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*AP*AP*GP*AP*TP*AP*TP*CP*TP*TP*T)-3'), LUTETIUM (III) ION, ... | Authors: | Sangani, S.S, Kehr, A.D, Sinha, K, Rule, G.S, Jen-Jacobson, L. | Deposit date: | 2015-12-09 | Release date: | 2016-11-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Metal Ion Binding at the Catalytic Site Induces Widely Distributed Changes in a Sequence Specific Protein-DNA Complex. Biochemistry, 55, 2016
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4WSA
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![BU of 4wsa by Molmil](/molmil-images/mine/4wsa) | Crystal structure of Influenza B polymerase bound to the vRNA promoter (FluB1 form) | Descriptor: | Influenza B vRNA promoter 3' end, Influenza B vRNA promoter 5' end, PA, ... | Authors: | Reich, S, Guilligay, D, Pflug, A, Cusack, S. | Deposit date: | 2014-10-26 | Release date: | 2014-11-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structural insight into cap-snatching and RNA synthesis by influenza polymerase. Nature, 516, 2014
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7TOS
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![BU of 7tos by Molmil](/molmil-images/mine/7tos) | E. coli 70S ribosomes bound with the ALS/FTD-associated dipeptide repeat protein PR20 | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Loveland, A.B, Svidritskiy, E, Susorov, D, Lee, S, Park, A, Zvornicanin, S, Demo, G, Gao, F.B, Korostelev, A.A. | Deposit date: | 2022-01-24 | Release date: | 2022-05-25 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Ribosome inhibition by C9ORF72-ALS/FTD-associated poly-PR and poly-GR proteins revealed by cryo-EM. Nat Commun, 13, 2022
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5N9M
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![BU of 5n9m by Molmil](/molmil-images/mine/5n9m) | Crystal structure of GatD - a glutamine amidotransferase from Staphylococcus aureus involved in peptidoglycan amidation | Descriptor: | Cobyric acid synthase, GLUTAMINE, TETRAETHYLENE GLYCOL | Authors: | Leisico, F, Vieira, D, Romao, M.R, Trincao, J, Santos-Silva, T. | Deposit date: | 2017-02-25 | Release date: | 2018-03-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | First insights of peptidoglycan amidation in Gram-positive bacteria - the high-resolution crystal structure of Staphylococcus aureus glutamine amidotransferase GatD. Sci Rep, 8, 2018
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6O2N
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![BU of 6o2n by Molmil](/molmil-images/mine/6o2n) | |
8DBA
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![BU of 8dba by Molmil](/molmil-images/mine/8dba) | Crystal structure of dodecameric KaiC | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Circadian clock protein KaiC, MAGNESIUM ION | Authors: | Padua, R.A.P, Grant, T, Pitsawong, W, Hoemberger, M.S, Otten, R, Bradshaw, N, Grigorieff, N, Kern, D. | Deposit date: | 2022-06-14 | Release date: | 2023-03-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | From primordial clocks to circadian oscillators. Nature, 616, 2023
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8WG8
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![BU of 8wg8 by Molmil](/molmil-images/mine/8wg8) | Cryo-EM structures of peptide free and Gs-coupled GCGR | Descriptor: | Glucagon receptor, 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: | Cong, Z.T, Zhao, F.H, Li, Y, Luo, G, Zhou, Q.T, Yang, D.H, Wang, M.W. | Deposit date: | 2023-09-20 | Release date: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.71 Å) | Cite: | Molecular features of the ligand-free GLP-1R, GCGR and GIPR in complex with G s proteins. Cell Discov, 10, 2024
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3JRD
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![BU of 3jrd by Molmil](/molmil-images/mine/3jrd) | |
4WUY
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![BU of 4wuy by Molmil](/molmil-images/mine/4wuy) | Crystal Structure of Protein Lysine Methyltransferase SMYD2 in complex with LLY-507, a Cell-Active, Potent and Selective Inhibitor | Descriptor: | 5-cyano-2'-{4-[2-(3-methyl-1H-indol-1-yl)ethyl]piperazin-1-yl}-N-[3-(pyrrolidin-1-yl)propyl]biphenyl-3-carboxamide, GLYCEROL, N-lysine methyltransferase SMYD2, ... | Authors: | Nguyen, H, Allali-Hassani, A, Antonysamy, S, Chang, S, Chen, L.H, Curtis, C, Emtage, S, Fan, L, Gheyi, T, Li, F, Liu, S, Martin, J.R, Mendel, D, Olsen, J.B, Pelletier, L, Shatseva, T, Wu, S, Zhang, F.F, Arrowsmith, C.H, Brown, P.J, Campbell, R.M, Garcia, B.A, Barsyte-Lovejoy, D, Mader, M, Vedadi, M. | Deposit date: | 2014-11-04 | Release date: | 2015-04-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | LLY-507, a Cell-active, Potent, and Selective Inhibitor of Protein-lysine Methyltransferase SMYD2. J.Biol.Chem., 290, 2015
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8WG7
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![BU of 8wg7 by Molmil](/molmil-images/mine/8wg7) | Cryo-EM structures of peptide free and Gs-coupled GLP-1R | Descriptor: | Glucagon-like peptide 1 receptor, 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: | Cong, Z.T, Zhao, F.H, Li, Y, Luo, G, Zhou, Q.T, Yang, D.H, Wang, M.W. | Deposit date: | 2023-09-20 | Release date: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.54 Å) | Cite: | Molecular features of the ligand-free GLP-1R, GCGR and GIPR in complex with G s proteins. Cell Discov, 10, 2024
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6ND8
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![BU of 6nd8 by Molmil](/molmil-images/mine/6nd8) | |
1C5I
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![BU of 1c5i by Molmil](/molmil-images/mine/1c5i) | HYDROGEN BONDING AND CATALYSIS: AN UNEXPECTED EXPLANATION FOR HOW A SINGLE AMINO ACID SUBSTITUTION CAN CHANGE THE PH OPTIMUM OF A GLYCOSIDASE | Descriptor: | ENDO-1,4-BETA-XYLANASE, beta-D-xylopyranose-(1-4)-1,5-anhydro-2-deoxy-2-fluoro-D-xylitol | Authors: | Joshi, M.D, Sidhu, G, Pot, I, Brayer, G.D, Withers, S.G, Mcintosh, L.P. | Deposit date: | 1999-11-24 | Release date: | 2000-05-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Hydrogen bonding and catalysis: a novel explanation for how a single amino acid substitution can change the pH optimum of a glycosidase. J.Mol.Biol., 299, 2000
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7B72
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![BU of 7b72 by Molmil](/molmil-images/mine/7b72) | DNA duplex with phosphoryl guanidine moiety, Rp-diastereomer | Descriptor: | DNA (5'-D(*CP*AP*CP*GP*CP*CP*GP*CP*TP*G)-3'), DNA (5'-D(*CP*AP*GP*CP*GP*GP*CP*GP*(RGT)P*G)-3') | Authors: | Lomzov, A.A, Pyshnyi, D.V, Shernuykov, A.V, Apukhtina, V.S. | Deposit date: | 2020-12-09 | Release date: | 2021-01-13 | Last modified: | 2023-08-23 | Method: | SOLUTION NMR | Cite: | DNA duplex with phosphoryl guanidine moiety, Rp-diastereomer To Be Published
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4WW1
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![BU of 4ww1 by Molmil](/molmil-images/mine/4ww1) | Crystal structure of human TCR Alpha Chain-TRAV21-TRAJ8 and Beta Chain-TRBV7-8 | Descriptor: | TCR Alpha Chain-TRAV21-TRAJ8, TCR Beta Chain-TRBV7-8 | Authors: | Le Nours, J, Praveena, T, Pellicci, D.G, Lim, R.T, Besra, G, Howell, A.R, Godfrey, D.I, Rossjohn, J, Uldrich, A.P. | Deposit date: | 2014-11-10 | Release date: | 2016-02-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Atypical natural killer T-cell receptor recognition of CD1d-lipid antigens. Nat Commun, 7, 2016
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6G32
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![BU of 6g32 by Molmil](/molmil-images/mine/6g32) | Crystal structure of human geranylgeranyl diphosphate synthase mutant D188Y | Descriptor: | GLYCEROL, Geranylgeranyl pyrophosphate synthase | Authors: | Lisnyansky, M, Kapelushnik, N, Ben-Bassat, A, Marom, M, Loewenstein, A, Khananshvili, D, Giladi, M, Haitin, Y. | Deposit date: | 2018-03-24 | Release date: | 2018-10-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.281 Å) | Cite: | Reduced Activity of Geranylgeranyl Diphosphate Synthase Mutant Is Involved in Bisphosphonate-Induced Atypical Fractures. Mol. Pharmacol., 94, 2018
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7LIA
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![BU of 7lia by Molmil](/molmil-images/mine/7lia) | |
7LI9
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![BU of 7li9 by Molmil](/molmil-images/mine/7li9) | |
5FR0
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![BU of 5fr0 by Molmil](/molmil-images/mine/5fr0) | The details of glycolipid glycan hydrolysis by the structural analysis of a family 123 glycoside hydrolase from Clostridium perfringens | Descriptor: | 2-deoxy-2-[(difluoroacetyl)amino]-beta-D-galactopyranose, BETA-N-ACETYLGALACTOSAMINIDASE, PHOSPHATE ION | Authors: | Noach, I, Pluvinage, B, Laurie, C, Abe, K.T, Alteen, M, Vocadlo, D.J, Boraston, A.B. | Deposit date: | 2015-12-14 | Release date: | 2016-03-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The Details of Glycolipid Glycan Hydrolysis by the Structural Analysis of a Family 123 Glycoside Hydrolase from Clostridium Perfringens J.Mol.Biol., 428, 2016
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7LI8
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![BU of 7li8 by Molmil](/molmil-images/mine/7li8) | |
5JT4
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![BU of 5jt4 by Molmil](/molmil-images/mine/5jt4) | L16A mutant of cytochrome c prime from Alcaligenes xylosoxidans: Ferrous state | Descriptor: | ASCORBIC ACID, Cytochrome c', HEME C, ... | Authors: | Kekilli, D, Strange, R.W, Hough, M.A. | Deposit date: | 2016-05-09 | Release date: | 2017-03-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Engineering proximal vs. distal heme-NO coordination via dinitrosyl dynamics: implications for NO sensor design. Chem Sci, 8, 2017
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8ONT
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![BU of 8ont by Molmil](/molmil-images/mine/8ont) | Structure of Setaria italica NRAT in complex with a nanobody | Descriptor: | DIUNDECYL PHOSPHATIDYL CHOLINE, NRAMP related aluminium transporter, Nanobody1 | Authors: | Ramanadane, K, Liziczai, M, Markovic, D, Straub, M.S, Rosalen, G.T, Udovcic, A, Dutzler, R, Manatschal, C. | Deposit date: | 2023-04-03 | Release date: | 2023-04-12 | Last modified: | 2023-10-25 | Method: | ELECTRON MICROSCOPY (3.66 Å) | Cite: | Structural and functional properties of a plant NRAMP-related aluminum transporter. Elife, 12, 2023
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