6CCH
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![BU of 6cch by Molmil](/molmil-images/mine/6cch) | NMR data-driven model of GTPase KRas-GMPPNP tethered to a nanodisc (E3 state) | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Apolipoprotein A-I, GTPase KRas, ... | Authors: | Fang, Z, Marshall, C.B, Nishikawa, T, Gossert, A.D, Jansen, J.M, Jahnke, W, Ikura, M. | Deposit date: | 2018-02-07 | Release date: | 2018-08-29 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Inhibition of K-RAS4B by a Unique Mechanism of Action: Stabilizing Membrane-Dependent Occlusion of the Effector-Binding Site. Cell Chem Biol, 25, 2018
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6GQY
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![BU of 6gqy by Molmil](/molmil-images/mine/6gqy) | KRAS-169 Q61H GPPNHP + CH-3 | Descriptor: | GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Cruz-Migoni, A, Quevedo, C.E, Carr, S.B, Phillips, S.V.E, Rabbitts, T.H. | Deposit date: | 2018-06-08 | Release date: | 2019-02-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6GGC
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6GKA
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![BU of 6gka by Molmil](/molmil-images/mine/6gka) | 20 minute Fe2+ soak structure of SynFtn | Descriptor: | CHLORIDE ION, FE (III) ION, Ferritin | Authors: | Hemmings, A.M, Bradley, J.M. | Deposit date: | 2018-05-18 | Release date: | 2019-01-23 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Reaction of O2with a diiron protein generates a mixed-valent Fe2+/Fe3+center and peroxide. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6GOD
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![BU of 6god by Molmil](/molmil-images/mine/6god) | KRAS full length wild-type GPPNHP | Descriptor: | GLYCEROL, GTPase KRas, MAGNESIUM ION, ... | Authors: | Cruz-Migoni, A, Quevedo, C.E, Carr, S.B, Ehebauer, M.T, Phillips, S.V.E, Rabbitts, T.H. | Deposit date: | 2018-06-01 | Release date: | 2019-02-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6GFH
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![BU of 6gfh by Molmil](/molmil-images/mine/6gfh) | Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with neo-IP5 and ATP | Descriptor: | 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Whitfield, H.L, Brearley, C.A, Hemmings, A.M. | Deposit date: | 2018-04-30 | Release date: | 2018-09-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | A Fluorescent Probe Identifies Active Site Ligands of Inositol Pentakisphosphate 2-Kinase. J. Med. Chem., 61, 2018
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4U28
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![BU of 4u28 by Molmil](/molmil-images/mine/4u28) | Crystal structure of apo Phosphoribosyl isomerase A from Streptomyces sviceus ATCC 29083 | Descriptor: | PHOSPHATE ION, Phosphoribosyl isomerase A | Authors: | Chang, C, Verduzco-Castro, E.A, Endres, M, Barona-Gomez, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2014-07-16 | Release date: | 2014-07-30 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Co-occurrence of analogous enzymes determines evolution of a novel ( beta alpha )8-isomerase sub-family after non-conserved mutations in flexible loop. Biochem. J., 473, 2016
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6GQT
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![BU of 6gqt by Molmil](/molmil-images/mine/6gqt) | KRAS-169 Q61H GPPNHP + PPIN-2 | Descriptor: | CITRIC ACID, GTPase KRas, MAGNESIUM ION, ... | Authors: | Cruz-Migoni, A, Canning, P, Quevedo, C.E, Carr, S.B, Phillips, S.E.V, Rabbitts, T.H. | Deposit date: | 2018-06-08 | Release date: | 2019-02-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6TVF
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![BU of 6tvf by Molmil](/molmil-images/mine/6tvf) | Crystal structure of the haemagglutinin from a H10N7 seal influenza virus isolated in Germany in complex with human receptor analogue, 6'-SLN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Zhang, J, Xiong, X, Purkiss, A, Walker, P, Gamblin, S, Skehel, J.J. | Deposit date: | 2020-01-09 | Release date: | 2020-10-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals. Cell Host Microbe, 28, 2020
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6GKC
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![BU of 6gkc by Molmil](/molmil-images/mine/6gkc) | 2 minute Fe2+ soak structure of SynFtn | Descriptor: | FE (III) ION, Ferritin | Authors: | Hemmings, A.M, Bradley, J.M. | Deposit date: | 2018-05-18 | Release date: | 2019-01-23 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Reaction of O2with a diiron protein generates a mixed-valent Fe2+/Fe3+center and peroxide. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6H3A
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![BU of 6h3a by Molmil](/molmil-images/mine/6h3a) | Crystal structure of the KAP1 RBCC domain in complex with the SMARCAD1 CUE1 domain. | Descriptor: | SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily A containing DEAD/H box 1, Transcription intermediary factor 1-beta, ZINC ION | Authors: | Newman, J.A, Aitkenhead, H, Lim, M, Williams, H.L, Svejstrup, J.Q, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2018-07-17 | Release date: | 2019-06-26 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (5.505 Å) | Cite: | A Ubiquitin-Binding Domain that Binds a Structural Fold Distinct from that of Ubiquitin. Structure, 27, 2019
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4Z3S
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![BU of 4z3s by Molmil](/molmil-images/mine/4z3s) | Crystal structure of the Thermus thermophilus 70S ribosome in complex with antibiotic A201A, mRNA and three tRNAs in the A, P and E sites at 2.65A resolution | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 3'-deoxy-3'-{[(2E)-3-(4-{[(4Z)-6-O-(6-deoxy-3,4-di-O-methyl-alpha-D-mannopyranosyl)-5-O-methyl-alpha-D-threo-hex-4-enofuranosyl]oxy}phenyl)-2-methylprop-2-enoyl]amino}-N,N-dimethyladenosine, ... | Authors: | Polikanov, Y.S, Starosta, A.L, Juette, M.F, Altman, R.B, Terry, D.S, Lu, W, Burnett, B.J, Dinos, G, Reynolds, K, Blanchard, S.C, Steitz, T.A, Wilson, D.N. | Deposit date: | 2015-03-31 | Release date: | 2015-06-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Distinct tRNA Accommodation Intermediates Observed on the Ribosome with the Antibiotics Hygromycin A and A201A. Mol.Cell, 58, 2015
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6FVQ
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4UB7
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![BU of 4ub7 by Molmil](/molmil-images/mine/4ub7) | High-salt structure of protein kinase CK2 catalytic subunit with 4'-carboxy-6,8-bromo-flavonol (FLC26) showing an extreme distortion of the ATP-binding loop combined with a pi-halogen bond | Descriptor: | 4-(6,8-dibromo-3-hydroxy-4-oxo-4H-chromen-2-yl)benzoic acid, CHLORIDE ION, Casein kinase II subunit alpha | Authors: | Niefind, K, Bischoff, N, Guerra, B, Golub, A, Issinger, O.-G. | Deposit date: | 2014-08-12 | Release date: | 2015-07-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A Note of Caution on the Role of Halogen Bonds for Protein Kinase/Inhibitor Recognition Suggested by High- And Low-Salt CK2 alpha Complex Structures. Acs Chem.Biol., 10, 2015
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6GQX
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![BU of 6gqx by Molmil](/molmil-images/mine/6gqx) | KRAS-169 Q61H GPPNHP + CH-2 | Descriptor: | GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Cruz-Migoni, A, Quevedo, C.E, Carr, S.B, Phillips, S.E.V, Rabbitts, T.H. | Deposit date: | 2018-06-08 | Release date: | 2019-02-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6EQD
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![BU of 6eqd by Molmil](/molmil-images/mine/6eqd) | Crystal structure of a polyethylene terephthalate degrading hydrolase from Ideonella sakaiensis collected at long wavelength | Descriptor: | CHLORIDE ION, Poly(ethylene terephthalate) hydrolase | Authors: | Austin, H.P, Allen, M.D, Johnson, C.W, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2017-10-12 | Release date: | 2018-04-25 | Last modified: | 2018-05-16 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Characterization and engineering of a plastic-degrading aromatic polyesterase. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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8TW3
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6U9C
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![BU of 6u9c by Molmil](/molmil-images/mine/6u9c) | The 2.2 A Crystal Structure of the Type B Chloramphenicol Acetyltransferase from Vibrio cholerae in the complex with Acetyl CoA | Descriptor: | ACETYL COENZYME *A, CHLORIDE ION, CITRIC ACID, ... | Authors: | Kim, Y, Maltseva, N, Stam, J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-09-07 | Release date: | 2019-09-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The 2.2 A Crystal Structure of the Type B Chloramphenicol Acetyltransferase from Vibrio cholerae in the complex with Acetyl CoA To Be Published
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4ZE9
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![BU of 4ze9 by Molmil](/molmil-images/mine/4ze9) | Se-PBP AccA from A. tumefaciens C58 in complex with agrocinopine A | Descriptor: | 2-O-phosphono-alpha-L-arabinopyranose, ABC transporter substrate-binding protein, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose | Authors: | El Sahili, A, Guimaraes, B.G, Morera, S. | Deposit date: | 2015-04-20 | Release date: | 2015-08-19 | Last modified: | 2023-06-14 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | A Pyranose-2-Phosphate Motif Is Responsible for Both Antibiotic Import and Quorum-Sensing Regulation in Agrobacterium tumefaciens. Plos Pathog., 11, 2015
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6GOM
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![BU of 6gom by Molmil](/molmil-images/mine/6gom) | KRAS-169 Q61H GPPNHP + PPIN-1 | Descriptor: | (6~{S})-1-(1~{H}-imidazol-4-ylcarbonyl)-6-[(4-phenylphenyl)methyl]-4-propyl-1,4-diazepan-5-one, CITRIC ACID, GTPase KRas, ... | Authors: | Cruz-Migoni, A, Canning, P, Quevedo, C.E, Carr, S.B, Phillips, S.E.V, Rabbitts, T.H. | Deposit date: | 2018-06-01 | Release date: | 2019-02-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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7LJY
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![BU of 7ljy by Molmil](/molmil-images/mine/7ljy) | Cryo-EM structure of the B dENE construct complexed with a 28-mer poly(A) | Descriptor: | B dENE construct, poly(A) | Authors: | Torabi, S, Chen, Y, Zhang, K, Wang, J, DeGregorio, S, Vaidya, A, Su, Z, Pabit, S, Chiu, W, Pollack, L, Steitz, J. | Deposit date: | 2021-02-01 | Release date: | 2021-04-14 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (5.6 Å) | Cite: | Structural analyses of an RNA stability element interacting with poly(A). Proc.Natl.Acad.Sci.USA, 118, 2021
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4UPU
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![BU of 4upu by Molmil](/molmil-images/mine/4upu) | Crystal structure of IP3 3-K calmodulin binding region in complex with Calmodulin | Descriptor: | CALCIUM ION, CALMODULIN, GLYCEROL, ... | Authors: | Franco-Echevarria, E, Banos-Sanz, J.I, Monterroso, B, Round, A, Sanz-Aparicio, J, Gonzalez, B. | Deposit date: | 2014-06-18 | Release date: | 2014-08-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | A New Calmodulin Binding Motif for Inositol 1,4,5-Trisphosphate 3-Kinase Regulation. Biochem.J., 463, 2014
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6DHH
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![BU of 6dhh by Molmil](/molmil-images/mine/6dhh) | RT XFEL structure of Photosystem II 400 microseconds after the second illumination at 2.2 Angstrom resolution | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K. | Deposit date: | 2018-05-20 | Release date: | 2018-11-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structures of the intermediates of Kok's photosynthetic water oxidation clock. Nature, 563, 2018
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6E5Z
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1EDJ
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![BU of 1edj by Molmil](/molmil-images/mine/1edj) | |