3WEU
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![BU of 3weu by Molmil](/molmil-images/mine/3weu) | Crystal structure of the L-Lys epsilon-oxidase from Marinomonas mediterranea | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, L-lysine 6-oxidase, ... | Authors: | Okazaki, S, Nakano, S, Matsui, D, Akaji, S, Inagaki, K, Asano, Y. | Deposit date: | 2013-07-12 | Release date: | 2013-09-04 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | X-Ray crystallographic evidence for the presence of the cysteine tryptophylquinone cofactor in L-lysine {varepsilon}-oxidase from Marinomonas mediterranea J.Biochem., 154, 2013
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5MKG
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![BU of 5mkg by Molmil](/molmil-images/mine/5mkg) | PA3825-EAL Ca-CdG Structure | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CALCIUM ION, Diguanylate phosphodiesterase | Authors: | Horrell, S, Bellini, D, Strange, R, Wagner, A, Walsh, M. | Deposit date: | 2016-12-04 | Release date: | 2016-12-14 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Dimerisation induced formation of the active site and the identification of three metal sites in EAL-phosphodiesterases. Sci Rep, 7, 2017
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5ML5
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![BU of 5ml5 by Molmil](/molmil-images/mine/5ml5) | Human p38alpha MAPK in complex with imidazolyl pyridine inhibitor 11b | Descriptor: | 3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-methylsulfanyl-1~{H}-imidazol-5-yl]pyridin-2-yl]propanamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Buehrmann, M, Rauh, D. | Deposit date: | 2016-12-06 | Release date: | 2017-04-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Optimized 4,5-Diarylimidazoles as Potent/Selective Inhibitors of Protein Kinase CK1 delta and Their Structural Relation to p38 alpha MAPK. Molecules, 22, 2017
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8VEI
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5MUN
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![BU of 5mun by Molmil](/molmil-images/mine/5mun) | Structural insight into zymogenic latency of gingipain K from Porphyromonas gingivalis. | Descriptor: | AZIDE ION, Lys-gingipain W83 | Authors: | Pomowski, A, Uson, I, Nowakovska, Z, Veillard, F, Sztukowska, M.N, Guevara, T, Goulas, T, Mizgalska, D, Nowak, M, Potempa, B, Huntington, J.A, Potempa, J, Gomis-Ruth, F.X. | Deposit date: | 2017-01-13 | Release date: | 2017-02-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural insights unravel the zymogenic mechanism of the virulence factor gingipain K from Porphyromonas gingivalis, a causative agent of gum disease from the human oral microbiome. J. Biol. Chem., 292, 2017
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8VEJ
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6BEI
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![BU of 6bei by Molmil](/molmil-images/mine/6bei) | Crystal structure of VACV D13 in its apo (unbound) form | Descriptor: | 1,2-ETHANEDIOL, FORMIC ACID, Scaffold protein D13 | Authors: | Garriga, D, Accurso, C, Coulibaly, F. | Deposit date: | 2017-10-25 | Release date: | 2018-07-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Structural basis for the inhibition of poxvirus assembly by the antibiotic rifampicin. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5MN6
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![BU of 5mn6 by Molmil](/molmil-images/mine/5mn6) | S. aureus FtsZ 12-316 F138A GDP Closed form (3FCm) | Descriptor: | Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE | Authors: | Wagstaff, J.M, Tsim, M, Kureisaite-Ciziene, D, Lowe, J. | Deposit date: | 2016-12-12 | Release date: | 2016-12-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | A Polymerization-Associated Structural Switch in FtsZ That Enables Treadmilling of Model Filaments. MBio, 8, 2017
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6BEW
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![BU of 6bew by Molmil](/molmil-images/mine/6bew) | Solution structure of de novo macrocycle design7.2 | Descriptor: | (DHI)P(DAS)(DGN)(DSN)(DGL)P | Authors: | Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D. | Deposit date: | 2017-10-25 | Release date: | 2017-12-27 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Comprehensive computational design of ordered peptide macrocycles. Science, 358, 2017
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9FII
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![BU of 9fii by Molmil](/molmil-images/mine/9fii) | Crystal Structure of oxidized NuoEF variant E222K(NuoF) from Aquifex aeolicus | Descriptor: | CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | Authors: | Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S. | Deposit date: | 2024-05-29 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I). Biochim Biophys Acta Bioenerg, 1865, 2024
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9IJP
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8UZL
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![BU of 8uzl by Molmil](/molmil-images/mine/8uzl) | Designed Transmembrane beta-barrel- TMB10_163 | Descriptor: | Designed Transmembrane beta-barrel TMB10_163, HEXANE-1,6-DIOL | Authors: | Bera, A.K, Lemma, S.B, Kang, A, Baker, D. | Deposit date: | 2023-11-15 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Sculpting conducting nanopore size and shape through de novo protein design Science, 2024
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6AX5
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![BU of 6ax5 by Molmil](/molmil-images/mine/6ax5) | RPT1 region of INI1/SNF5/SMARCB1_HUMAN - SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1. | Descriptor: | SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1 | Authors: | Girvin, M.E, Cahill, S.M, Harris, R, Cowburn, D, Spira, M, Wu, X, Prakash, R, Bernowitz, M, Almo, S.C, Kalpana, G.V. | Deposit date: | 2017-09-06 | Release date: | 2017-10-18 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | INI1/SMARCB1 Rpt1 domain mimics TAR RNA in binding to integrase to facilitate HIV-1 replication. Nat Commun, 12, 2021
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3WBG
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![BU of 3wbg by Molmil](/molmil-images/mine/3wbg) | Structure of the human heart fatty acid-binding protein in complex with 1-anilinonaphtalene-8-sulphonic acid | Descriptor: | 8-ANILINO-1-NAPHTHALENE SULFONATE, Fatty acid-binding protein, heart | Authors: | Hirose, M, Sugiyama, S, Ishida, H, Niiyama, M, Matsuoka, D, Hara, T, Sato, F, Mizohata, E, Murakami, S, Inoue, T, Matsuoka, S, Murata, M. | Deposit date: | 2013-05-16 | Release date: | 2013-10-30 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure of the human-heart fatty-acid-binding protein 3 in complex with the fluorescent probe 1-anilinonaphthalene-8-sulphonic acid J.SYNCHROTRON RADIAT., 20, 2013
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6BET
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![BU of 6bet by Molmil](/molmil-images/mine/6bet) | Solution structure of de novo macrocycle design12_ss | Descriptor: | H(DPR)(DVA)CIP(DPR)E(DLY)VC(DGL) | Authors: | Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D. | Deposit date: | 2017-10-25 | Release date: | 2017-12-27 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Comprehensive computational design of ordered peptide macrocycles. Science, 358, 2017
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6B3N
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![BU of 6b3n by Molmil](/molmil-images/mine/6b3n) | Solution structure of the N-terminal domain of the effector NleG5-1 from Escherichia coli O157:H7 str. Sakai | Descriptor: | NleG5-1 | Authors: | Valleau, D, Houliston, S, Lemak, A, Anderson, W.F, Arrowsmith, C, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-09-22 | Release date: | 2017-11-22 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution structure of the N-terminal domain of the effector NleG5-1 from Escherichia coli O157:H7 str. Sakai To Be Published
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6B9K
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6BF5
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![BU of 6bf5 by Molmil](/molmil-images/mine/6bf5) | Solution structure of de novo macrocycle design7.3a | Descriptor: | QDP(DPR)K(DTH)(DAS) | Authors: | Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D. | Deposit date: | 2017-10-25 | Release date: | 2018-01-10 | Last modified: | 2023-11-15 | Method: | SOLUTION NMR | Cite: | Comprehensive computational design of ordered peptide macrocycles. Science, 358, 2017
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6BER
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![BU of 6ber by Molmil](/molmil-images/mine/6ber) | Solution structure of de novo macrocycle design10.2 | Descriptor: | E(DVA)DP(DGL)(DHI)(DPR)N(DAL)(DPR) | Authors: | Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D. | Deposit date: | 2017-10-25 | Release date: | 2017-12-27 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Comprehensive computational design of ordered peptide macrocycles. Science, 358, 2017
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6BEO
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![BU of 6beo by Molmil](/molmil-images/mine/6beo) | Solution structure of de novo macrocycle design9.1 | Descriptor: | (DPR)PY(DHI)PKDL(DGN) | Authors: | Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D. | Deposit date: | 2017-10-25 | Release date: | 2017-12-27 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Comprehensive computational design of ordered peptide macrocycles. Science, 358, 2017
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3WFP
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![BU of 3wfp by Molmil](/molmil-images/mine/3wfp) | tRNA processing enzyme (apo form 2) | Descriptor: | Poly A polymerase, SULFATE ION | Authors: | Yamashita, S, Takeshita, D, Tomita, K. | Deposit date: | 2013-07-23 | Release date: | 2014-01-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (4.005 Å) | Cite: | Translocation and rotation of tRNA during template-independent RNA polymerization by tRNA nucleotidyltransferase Structure, 22, 2014
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8S6E
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![BU of 8s6e by Molmil](/molmil-images/mine/8s6e) | Monoclonal antibody MenW targeting serogroup W of Neisseria meningitidis | Descriptor: | MenW.01 Heavy chain, MenW.01 Light chain, SODIUM ION | Authors: | Pietri, G.P, Bertuzzi, S, Karnicar, K, Unione, L, Lisnic, B, Malic, S, Miklic, K, Novak, M, Calloni, I, Santini, L, Usenik, A, Rosaria Romano, M, Adamo, R, Jonjic, S, Turk, D, Jimenez-Barbero, J, Lenac Rovis, T. | Deposit date: | 2024-02-27 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Antigenic determinants driving serogroup-specific antibody response to Neisseria meningitidis C, W, and Y capsular polysaccharides: Insights for rational vaccine design. Carbohydr Polym, 341, 2024
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6BEQ
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![BU of 6beq by Molmil](/molmil-images/mine/6beq) | Solution structure of de novo macrocycle design10.1 | Descriptor: | AAR(DVA)(DPR)R(DLE)(DTH)PE | Authors: | Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D. | Deposit date: | 2017-10-25 | Release date: | 2018-01-10 | Last modified: | 2023-11-15 | Method: | SOLUTION NMR | Cite: | Comprehensive computational design of ordered peptide macrocycles. Science, 358, 2017
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6BEU
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![BU of 6beu by Molmil](/molmil-images/mine/6beu) | Solution structure of de novo macrocycle design14_ss | Descriptor: | (DCY)N(DVA)(DPR)DVYC(DPR)(DSG)KY(DVA)(DPR) | Authors: | Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D. | Deposit date: | 2017-10-25 | Release date: | 2017-12-27 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Comprehensive computational design of ordered peptide macrocycles. Science, 358, 2017
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5MBB
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![BU of 5mbb by Molmil](/molmil-images/mine/5mbb) | Structure of a bacterial light-regulated adenylyl cylcase | Descriptor: | Beta subunit of photoactivated adenylyl cyclase, FLAVIN MONONUCLEOTIDE | Authors: | Lindner, R, Hartmann, E, Tarnawski, M, Winkler, A, Frey, D, Reinstein, J, Meinhart, A, Schlichting, I. | Deposit date: | 2016-11-08 | Release date: | 2017-04-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Photoactivation Mechanism of a Bacterial Light-Regulated Adenylyl Cyclase. J. Mol. Biol., 429, 2017
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