4MLL
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![BU of 4mll by Molmil](/molmil-images/mine/4mll) | The 1.4 A structure of the class D beta-lactamase OXA-1 K70D complexed with oxacillin | Descriptor: | (2R,4S)-5,5-dimethyl-2-[(1R)-1-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}-2-oxoethyl]-1,3-thiazolidine-4-carb oxylic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase OXA-1, ... | Authors: | June, C.M, Vallier, B.C, Bonomo, R.A, Leonard, D.A, Powers, R.A. | Deposit date: | 2013-09-06 | Release date: | 2013-10-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Structural Origins of Oxacillinase Specificity in Class D beta-Lactamases. Antimicrob.Agents Chemother., 58, 2014
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7Z20
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![BU of 7z20 by Molmil](/molmil-images/mine/7z20) | 70S E. coli ribosome with an extended uL23 loop from Candidatus marinimicrobia and a stalled filamin domain 5 nascent chain | Descriptor: | 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | Authors: | Mitropoulou, A, Plessa, E, Wlodarski, T, Ahn, M, Sidhu, H, Becker, T.A, Beckmann, R, Cabrita, L.D, Christodoulou, J. | Deposit date: | 2022-02-25 | Release date: | 2022-08-10 | Method: | ELECTRON MICROSCOPY (2.29 Å) | Cite: | Modulating co-translational protein folding by rational design and ribosome engineering. Nat Commun, 13, 2022
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4MPB
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![BU of 4mpb by Molmil](/molmil-images/mine/4mpb) | 1.7 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) from Staphylococcus aureus | Descriptor: | Betaine aldehyde dehydrogenase, CHLORIDE ION, MAGNESIUM ION | Authors: | Halavaty, A.S, Shuvalova, L, Minasov, G, Dubrovska, I, Winsor, J, Peterson, S.N, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2013-09-12 | Release date: | 2013-09-25 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure-based mutational studies of substrate inhibition of betaine aldehyde dehydrogenase BetB from Staphylococcus aureus. Appl.Environ.Microbiol., 80, 2014
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1UE4
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![BU of 1ue4 by Molmil](/molmil-images/mine/1ue4) | Crystal structure of d(GCGAAAGC) | Descriptor: | 5'-D(*GP*CP*GP*AP*AP*AP*GP*C)-3', MAGNESIUM ION | Authors: | Sunami, T, Kondo, J, Hirao, I, Watanabe, K, Miura, K, Takenaka, A. | Deposit date: | 2003-05-09 | Release date: | 2004-03-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structures of d(GCGAAGC) and d(GCGAAAGC) (tetragonal form): a switching of partners of the sheared G.A pairs to form a functional G.AxA.G crossing. Acta Crystallogr.,Sect.D, 60, 2004
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4MIB
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![BU of 4mib by Molmil](/molmil-images/mine/4mib) | Hepatitis C Virus polymerase NS5B genotype 1b (BK) in complex with Compound 48 (N-({(3S)-1-[6-tert-butyl-5-methoxy-8-(2-oxo-1,2-dihydropyridin-3-yl)quinolin-3-yl]pyrrolidin-3-yl}methyl)methanesulfonamide) | Descriptor: | DIMETHYL SULFOXIDE, N-({(3S)-1-[6-tert-butyl-5-methoxy-8-(2-oxo-1,2-dihydropyridin-3-yl)quinolin-3-yl]pyrrolidin-3-yl}methyl)methanesulfonamide, RNA-DIRECTED RNA POLYMERASE | Authors: | Harris, S.F, Villasenor, A.G. | Deposit date: | 2013-08-30 | Release date: | 2014-05-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of N-[4-[6-tert-butyl-5-methoxy-8-(6-methoxy-2-oxo-1H-pyridin-3-yl)-3-quinolyl]phenyl]methanesulfonamide (RG7109), a potent inhibitor of the hepatitis C virus NS5B polymerase. J.Med.Chem., 57, 2014
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1UGY
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![BU of 1ugy by Molmil](/molmil-images/mine/1ugy) | Crystal structure of jacalin- mellibiose (Gal-alpha(1-6)-Glc) complex | Descriptor: | Agglutinin alpha chain, Agglutinin beta-3 chain, alpha-D-galactopyranose-(1-6)-alpha-D-glucopyranose, ... | Authors: | Jeyaprakash, A.A, Katiyar, S, Swaminathan, C.P, Sekar, K, Surolia, A, Vijayan, M. | Deposit date: | 2003-06-23 | Release date: | 2003-09-23 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Basis of the Carbohydrate Specificities of Jacalin: An X-ray and Modeling Study J.MOL.BIOL., 332, 2003
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7SGC
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4MQ2
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![BU of 4mq2 by Molmil](/molmil-images/mine/4mq2) | The crystal structure of DYRK1a with a bound pyrido[2,3-d]pyrimidine inhibitor | Descriptor: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, PENTAETHYLENE GLYCOL, SULFATE ION, ... | Authors: | Lukacs, C.M, Janson, C.A, Garvie, C, Liang, L. | Deposit date: | 2013-09-15 | Release date: | 2013-12-11 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Pyrido[2,3-d]pyrimidines: Discovery and preliminary SAR of a novel series of DYRK1B and DYRK1A inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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4MKK
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![BU of 4mkk by Molmil](/molmil-images/mine/4mkk) | Crystal structure of C115A mutant L-methionine gamma-lyase from Citrobacter freundii modified by allicine | Descriptor: | CHLORIDE ION, Methionine gamma-lyase, POTASSIUM ION, ... | Authors: | Revtovich, S.V, Nikulin, A.D, Morozova, E.A, Zakomirdina, L.N, Demidkina, T.V. | Deposit date: | 2013-09-05 | Release date: | 2014-11-12 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Alliin is a suicide substrate of Citrobacter freundii methionine gamma-lyase: structural bases of inactivation of the enzyme. Acta Crystallogr.,Sect.D, 70, 2014
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1KE4
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1KR4
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![BU of 1kr4 by Molmil](/molmil-images/mine/1kr4) | Structure Genomics, Protein TM1056, cutA | Descriptor: | Protein TM1056, cutA | Authors: | Savchenko, A, Zhang, R, Joachimiak, A, Edwards, A, Akarina, T, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2002-01-08 | Release date: | 2002-08-14 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | X-ray crystal structure of CutA from Thermotoga maritima at 1.4 A resolution. Proteins, 54, 2004
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6XQS
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![BU of 6xqs by Molmil](/molmil-images/mine/6xqs) | Room-temperature X-ray Crystal structure of SARS-CoV-2 main protease in complex with Telaprevir | Descriptor: | (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase | Authors: | Kneller, D.W, Kovalevsky, A, Coates, L. | Deposit date: | 2020-07-10 | Release date: | 2020-07-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Malleability of the SARS-CoV-2 3CL M pro Active-Site Cavity Facilitates Binding of Clinical Antivirals. Structure, 28, 2020
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8CFA
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6EDS
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![BU of 6eds by Molmil](/molmil-images/mine/6eds) | Structure of Cysteine-free Human Insulin-Degrading Enzyme in complex with Glucagon and Substrate-selective Macrocyclic Inhibitor 63 | Descriptor: | 1,4-DIETHYLENE DIOXIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Tan, G.A, Seeliger, M.A, Maianti, J.P, Liu, D.R, Welsh, A.J. | Deposit date: | 2018-08-10 | Release date: | 2019-04-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.18071723 Å) | Cite: | Substrate-selective inhibitors that reprogram the activity of insulin-degrading enzyme. Nat.Chem.Biol., 15, 2019
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5IPH
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![BU of 5iph by Molmil](/molmil-images/mine/5iph) | Xanthomonas campestris Peroxiredoxin Q - C84S mutant | Descriptor: | Bacterioferritin comigratory protein, SODIUM ION | Authors: | Perkins, A, Parsonage, D, Nelson, K.J, Poole, L.B, Karplus, A. | Deposit date: | 2016-03-09 | Release date: | 2016-09-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Peroxiredoxin Catalysis at Atomic Resolution. Structure, 24, 2016
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5IPR
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![BU of 5ipr by Molmil](/molmil-images/mine/5ipr) | Cryo-EM structure of GluN1/GluN2B NMDA receptor in the DCKA/D-APV-bound conformation, state 3 | Descriptor: | Ionotropic glutamate receptor subunit NR2B, N-methyl-D-aspartate receptor subunit NR1-8a | Authors: | Zhu, S, Stein, A.R, Yoshioka, C, Lee, C.H, Goehring, A, Mchaourab, S.H, Gouaux, E. | Deposit date: | 2016-03-09 | Release date: | 2016-04-20 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (14.1 Å) | Cite: | Mechanism of NMDA Receptor Inhibition and Activation. Cell, 165, 2016
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2P0W
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![BU of 2p0w by Molmil](/molmil-images/mine/2p0w) | Human histone acetyltransferase 1 (HAT1) | Descriptor: | ACETAMIDE, ACETATE ION, ACETYL COENZYME *A, ... | Authors: | Wu, H, Min, J, Zeng, H, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | Deposit date: | 2007-03-01 | Release date: | 2007-03-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The crystal structure of human histone acetyltransferase 1 (HAT1) in complex with acetylcoenzyme A and histone peptide H4 To be Published
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6OUD
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4MSR
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![BU of 4msr by Molmil](/molmil-images/mine/4msr) | RNA 10mer duplex with six 2'-5'-linkages | Descriptor: | RNA 10mer duplex with six 2'-5'-linkages, STRONTIUM ION | Authors: | Sheng, J, Li, L, Engelhart, A.E, Gan, J, Wang, J, Szostak, J.W. | Deposit date: | 2013-09-18 | Release date: | 2014-02-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structural insights into the effects of 2'-5' linkages on the RNA duplex. Proc.Natl.Acad.Sci.USA, 111, 2014
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5XA1
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![BU of 5xa1 by Molmil](/molmil-images/mine/5xa1) | Crystal structure of inositol 1,4,5-trisphosphate receptor cytosolic domain with inositol 1,4,5-trisphosphate | Descriptor: | D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Inositol 1,4,5-trisphosphate receptor type 1 | Authors: | Hamada, K, Miyatake, H, Terauchi, A, Mikoshiba, K. | Deposit date: | 2017-03-10 | Release date: | 2017-04-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (6.204 Å) | Cite: | IP3-mediated gating mechanism of the IP3 receptor revealed by mutagenesis and X-ray crystallography Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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4MTG
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![BU of 4mtg by Molmil](/molmil-images/mine/4mtg) | Structural Basis for Ca2+ Selectivity of a Voltage-gated Calcium Channel | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, Ion transport protein | Authors: | Tang, L, Gamal El-Din, T.M, Payandeh, J, Martinez, G.Q, Heard, T.M, Scheuer, T, Zheng, N, Catterall, W.A. | Deposit date: | 2013-09-19 | Release date: | 2013-11-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.296 Å) | Cite: | Structural basis for Ca2+ selectivity of a voltage-gated calcium channel. Nature, 505, 2014
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4MIA
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![BU of 4mia by Molmil](/molmil-images/mine/4mia) | Hepatitis C Virus polymerase NS5B genotype 1b (BK) in complex with RG7109 (N-{4-[6-tert-butyl-5-methoxy-8-(6-methoxy-2-oxo-2,5-dihydropyridin-3-yl)quinolin-3-yl]phenyl}methanesulfonamide) | Descriptor: | N-{4-[6-tert-butyl-5-methoxy-8-(6-methoxy-2-oxo-2,5-dihydropyridin-3-yl)quinolin-3-yl]phenyl}methanesulfonamide, RNA-directed RNA polymerase, ZINC ION | Authors: | Harris, S.F, Villasenor, A.G. | Deposit date: | 2013-08-30 | Release date: | 2014-05-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of N-[4-[6-tert-butyl-5-methoxy-8-(6-methoxy-2-oxo-1H-pyridin-3-yl)-3-quinolyl]phenyl]methanesulfonamide (RG7109), a potent inhibitor of the hepatitis C virus NS5B polymerase. J.Med.Chem., 57, 2014
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1U6Z
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8CAV
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![BU of 8cav by Molmil](/molmil-images/mine/8cav) | Discovery of the lanthipeptide Curvocidin and structural insights into its trifunctional synthetase CuvL | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CuvA, MAGNESIUM ION, ... | Authors: | Sigurdsson, A, Martins, B.M, Duettmann, S.A, Jasyk, M, Dimos-Roehl, B, Schoepf, F, Gemannter, M, Knittel, C.H, Schnegotyzki, R, Schmid, B, Kosol, S, Gonzalez-Viegas, M, Seidel, M, Huegelland, M, Leimkuehler, S, Dobbek, H, Mainz, A, Suessmuth, R. | Deposit date: | 2023-01-24 | Release date: | 2023-06-14 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | Discovery of the Lanthipeptide Curvocidin and Structural Insights into its Trifunctional Synthetase CuvL. Angew.Chem.Int.Ed.Engl., 62, 2023
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2P8B
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![BU of 2p8b by Molmil](/molmil-images/mine/2p8b) | Crystal structure of N-succinyl Arg/Lys racemase from Bacillus cereus ATCC 14579 complexed with N-succinyl Lys. | Descriptor: | MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme family protein, N-SUCCINYL LYSINE | Authors: | Fedorov, A.A, Song, L, Fedorov, E.V, Gerlt, J.A, Almo, S.C. | Deposit date: | 2007-03-22 | Release date: | 2007-07-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Prediction and assignment of function for a divergent N-succinyl amino acid racemase. Nat.Chem.Biol., 3, 2007
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