6AUE
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![BU of 6aue by Molmil](/molmil-images/mine/6aue) | Artificial Metalloproteins Containing a Co4O4 Active Site - 2xm-S112Y-b | Descriptor: | N-biotin-C-Co4(mu3-O)4(OAc)(Py)4(H2O)3-beta-alanine, Streptavidin | Authors: | Olshansky, L, Vallapurakal, J, Huerta-Lavorie, R, Nguyen, A.I, Tilley, T.D, Borovik, A.S. | Deposit date: | 2017-08-31 | Release date: | 2018-02-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Artificial Metalloproteins Containing Co J. Am. Chem. Soc., 140, 2018
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6AWD
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![BU of 6awd by Molmil](/molmil-images/mine/6awd) | Structure of 30S (S1 depleted) ribosomal subunit and RNA polymerase complex | Descriptor: | 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | Authors: | Demo, G, Rasouly, A, Vasilyev, N, Loveland, A.B, Diaz-Avalos, R, Grigorieff, N, Nudler, E, Korostelev, A.A. | Deposit date: | 2017-09-05 | Release date: | 2017-10-18 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (8.1 Å) | Cite: | Structure of RNA polymerase bound to ribosomal 30S subunit. Elife, 6, 2017
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5FO2
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![BU of 5fo2 by Molmil](/molmil-images/mine/5fo2) | Structure of human transthyretin mutant A108I | Descriptor: | TRANSTHYRETIN | Authors: | Varejao, N, Santanna, R, Saraiva, M.J, Gallego, P, Ventura, S, Reverter, D. | Deposit date: | 2015-11-17 | Release date: | 2016-11-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.449 Å) | Cite: | Cavity filling mutations at the thyroxine-binding site dramatically increase transthyretin stability and prevent its aggregation. Sci Rep, 7, 2017
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6B0V
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![BU of 6b0v by Molmil](/molmil-images/mine/6b0v) | Crystal Structure of small molecule ARS-107 covalently bound to K-Ras G12C | Descriptor: | 1-[3-(4-{[(4,5-dichloro-2-hydroxyphenyl)amino]acetyl}piperazin-1-yl)azetidin-1-yl]propan-1-one, CALCIUM ION, GTPase KRas, ... | Authors: | Hansen, R, Peters, U, Babbar, A, Chen, Y, Feng, J, Janes, M.R, Li, L.-S, Ren, P, Liu, Y, Zarrinkar, P.P. | Deposit date: | 2017-09-15 | Release date: | 2018-05-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | The reactivity-driven biochemical mechanism of covalent KRASG12Cinhibitors. Nat. Struct. Mol. Biol., 25, 2018
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6B0W
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![BU of 6b0w by Molmil](/molmil-images/mine/6b0w) | Crystal structure of the anti-circumsporozoite protein 1710 antibody | Descriptor: | 1710 antibody, heavy chain, light chain, ... | Authors: | Scally, S.W, Murugan, R, Bosch, A, Triller, G, Wardemann, H, Julien, J.P. | Deposit date: | 2017-09-15 | Release date: | 2017-11-08 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Rare PfCSP C-terminal antibodies induced by live sporozoite vaccination are ineffective against malaria infection. J. Exp. Med., 215, 2018
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6ARH
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![BU of 6arh by Molmil](/molmil-images/mine/6arh) | |
6ARY
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![BU of 6ary by Molmil](/molmil-images/mine/6ary) | Crystal structure of an insecticide-resistant acetylcholinesterase mutant from the malaria vector Anopheles gambiae in complex with a difluoromethyl ketone inhibitor | Descriptor: | (1S)-2,2-difluoro-1-[1-(pentan-3-yl)-1H-pyrazol-4-yl]ethan-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | Authors: | Cheung, J, Mahmood, A, Kalathur, R, Lixuan, L, Carlier, P.R. | Deposit date: | 2017-08-23 | Release date: | 2018-01-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.257 Å) | Cite: | Structure of the G119S Mutant Acetylcholinesterase of the Malaria Vector Anopheles gambiae Reveals Basis of Insecticide Resistance. Structure, 26, 2018
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6B02
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![BU of 6b02 by Molmil](/molmil-images/mine/6b02) | |
6B07
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![BU of 6b07 by Molmil](/molmil-images/mine/6b07) | Crystal structure of CfFPPS2, a lepidopteran type-II farnesyl diphosphate synthase, complexed with [1-phosphono-2-(1-propylpyridin-2-yl)ethyl]phosphonic acid (inhibitor 1d) | Descriptor: | 1,2-ETHANEDIOL, 2-(2,2-diphosphonoethyl)-1-propylpyridin-1-ium, Farnesyl diphosphate synthase, ... | Authors: | Picard, M.-E, Cusson, M, Shi, R. | Deposit date: | 2017-09-13 | Release date: | 2017-12-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structural characterization of a lepidopteran type-II farnesyl diphosphate synthase from the spruce budworm, Choristoneura fumiferana: Implications for inhibitor design. Insect Biochem. Mol. Biol., 92, 2017
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6B0Y
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![BU of 6b0y by Molmil](/molmil-images/mine/6b0y) | Crystal Structure of small molecule ARS-917 covalently bound to K-Ras G12C | Descriptor: | 1-{4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl}propan-1-one, CALCIUM ION, GLYCEROL, ... | Authors: | Hansen, R, Peters, U, Babbar, A, Chen, Y, Feng, J, Janes, M.R, Li, L.-S, Ren, P, Liu, Y, Zarrinkar, P.P. | Deposit date: | 2017-09-15 | Release date: | 2018-05-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | The reactivity-driven biochemical mechanism of covalent KRASG12Cinhibitors. Nat. Struct. Mol. Biol., 25, 2018
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1TYK
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![BU of 1tyk by Molmil](/molmil-images/mine/1tyk) | SOLUTION STRUCTURE OF A TOXIN FROM THE TARANTULA, GRAMMOSTOLA SPATULATA, WHICH INHIBITS MECHANOSENSITIVE ION CHANNELS | Descriptor: | Toxin GsMTx-4 | Authors: | Oswald, R.E, Suchyna, T.M, Mcfeeters, R, Gottlieb, P, Sachs, F. | Deposit date: | 2004-07-08 | Release date: | 2004-07-13 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | Solution Structure of Peptide Toxins that Block Mechanosensitive Ion Channels J.Biol.Chem., 277, 2002
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6B06
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![BU of 6b06 by Molmil](/molmil-images/mine/6b06) | Crystal structure of CfFPPS2, a lepidopteran type-II farnesyl diphosphate synthase, complexed with IPP and [2-(1-methylpyridin-2-yl)-1-phosphono-ethyl]phosphonic acid (inhibitor 1b) | Descriptor: | 2-(2,2-diphosphonoethyl)-1-methylpyridin-1-ium, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl diphosphate synthase, ... | Authors: | Picard, M.-E, Cusson, M, Shi, R. | Deposit date: | 2017-09-13 | Release date: | 2017-12-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural characterization of a lepidopteran type-II farnesyl diphosphate synthase from the spruce budworm, Choristoneura fumiferana: Implications for inhibitor design. Insect Biochem. Mol. Biol., 92, 2017
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1BOI
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![BU of 1boi by Molmil](/molmil-images/mine/1boi) | N-TERMINALLY TRUNCATED RHODANESE | Descriptor: | RHODANESE | Authors: | Gliubich, F, Berni, R, Cianci, M, Trevino, R.J, Horowitz, P.M, Zanotti, G. | Deposit date: | 1998-08-04 | Release date: | 1999-04-27 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | NH2-terminal sequence truncation decreases the stability of bovine rhodanese, minimally perturbs its crystal structure, and enhances interaction with GroEL under native conditions. J.Biol.Chem., 274, 1999
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6J13
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![BU of 6j13 by Molmil](/molmil-images/mine/6j13) | Redox protein from Chlamydomonas reinhardtii | Descriptor: | 2-cys peroxiredoxin | Authors: | Charoenwattansatien, R, Zinzius, K, Tanaka, H, Hippler, M, Kurisu, G. | Deposit date: | 2018-12-27 | Release date: | 2019-12-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Calcium sensing via EF-hand 4 enables thioredoxin activity in the sensor-responder protein calredoxin in the green algaChlamydomonas reinhardtii. J.Biol.Chem., 295, 2020
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6ARX
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![BU of 6arx by Molmil](/molmil-images/mine/6arx) | Crystal structure of an insecticide-resistant acetylcholinesterase mutant from the malaria vector Anopheles gambiae in the ligand-free state | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, CHLORIDE ION, ... | Authors: | Cheung, J, Mahmood, A, Kalathur, R, Lixuan, L, Carlier, P.R. | Deposit date: | 2017-08-23 | Release date: | 2018-01-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.302 Å) | Cite: | Structure of the G119S Mutant Acetylcholinesterase of the Malaria Vector Anopheles gambiae Reveals Basis of Insecticide Resistance. Structure, 26, 2018
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6B6G
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![BU of 6b6g by Molmil](/molmil-images/mine/6b6g) | Crystal Structure of GABA Aminotransferase bound to (S)-3-Amino-4-(difluoromethylenyl)cyclopent-1-ene-1-carboxylic acid, an Potent Inactivatorfor the Treatment of Addiction | Descriptor: | (3R,4E)-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]cyclopent-1-ene-1,3-dicarboxylic acid, 4-aminobutyrate aminotransferase, mitochondrial, ... | Authors: | Mascarenhas, R, Juncosa, J.I, Takaya, K, Le, L.V, Moschitto, M.J, Silverman, R.B, Liu, D. | Deposit date: | 2017-10-02 | Release date: | 2018-02-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Design and Mechanism of (S)-3-Amino-4-(difluoromethylenyl)cyclopent-1-ene-1-carboxylic Acid, a Highly Potent gamma-Aminobutyric Acid Aminotransferase Inactivator for the Treatment of Addiction. J. Am. Chem. Soc., 140, 2018
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6BBS
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![BU of 6bbs by Molmil](/molmil-images/mine/6bbs) | Joint X-ray/neutron structure of human carbonic anhydrase II in complex with brinzolamide | Descriptor: | (+)-4-ETHYLAMINO-3,4-DIHYDRO-2-(METHOXY)PROPYL-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE, Carbonic anhydrase 2, ZINC ION | Authors: | Kovalevsky, A, Aggarwal, M, McKenna, R. | Deposit date: | 2017-10-19 | Release date: | 2018-02-28 | Last modified: | 2024-03-13 | Method: | NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION | Cite: | "To Be or Not to Be" Protonated: Atomic Details of Human Carbonic Anhydrase-Clinical Drug Complexes by Neutron Crystallography and Simulation. Structure, 26, 2018
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5FWQ
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![BU of 5fwq by Molmil](/molmil-images/mine/5fwq) | Apo structure of human Leukotriene A4 hydrolase | Descriptor: | ACETATE ION, HUMAN LEUKOTRIENE A4 HYDROLASE, IMIDAZOLE, ... | Authors: | Wittmann, S.K, Kalinowsky, L, Kramer, J, Bloecher, R, Steinhilber, D, Pogoryelov, D, Proschak, E, Heering, J. | Deposit date: | 2016-02-19 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.047 Å) | Cite: | Thermodynamic properties of leukotriene A4hydrolase inhibitors. Bioorg.Med.Chem., 24, 2016
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6B03
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![BU of 6b03 by Molmil](/molmil-images/mine/6b03) | |
6B0S
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![BU of 6b0s by Molmil](/molmil-images/mine/6b0s) | Crystal structure of circumsporozoite protein aTSR domain in complex with 1710 antibody | Descriptor: | 1710 antibody, heavy chain, light chain, ... | Authors: | Scally, S.W, Murugan, R, Bosch, A, Triller, G, Wardemann, H, Julien, J.P. | Deposit date: | 2017-09-15 | Release date: | 2017-11-08 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Rare PfCSP C-terminal antibodies induced by live sporozoite vaccination are ineffective against malaria infection. J. Exp. Med., 215, 2018
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6B3J
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![BU of 6b3j by Molmil](/molmil-images/mine/6b3j) | 3.3 angstrom phase-plate cryo-EM structure of a biased agonist-bound human GLP-1 receptor-Gs complex | Descriptor: | Exendin-P5, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Liang, Y.L, Khoshouei, M, Glukhova, A, Furness, S.G.B, Koole, C, Zhao, P, Clydesdale, L, Thal, D.M, Radjainia, M, Danev, R, Baumeister, W, Wang, M.W, Miller, L.J, Christopoulos, A, Sexton, P.M, Wootten, D. | Deposit date: | 2017-09-22 | Release date: | 2018-02-21 | Last modified: | 2020-01-15 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Phase-plate cryo-EM structure of a biased agonist-bound human GLP-1 receptor-Gs complex. Nature, 555, 2018
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6B43
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![BU of 6b43 by Molmil](/molmil-images/mine/6b43) | CryoEM structure and atomic model of the Kaposi's sarcoma-associated herpesvirus capsid | Descriptor: | Major capsid protein, Small capsomere-interacting protein, Triplex capsid protein 1, ... | Authors: | Dai, X.H, Gong, D.Y, Sun, R, Zhou, Z.H. | Deposit date: | 2017-09-25 | Release date: | 2017-11-08 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Structure and mutagenesis reveal essential capsid protein interactions for KSHV replication. Nature, 553, 2018
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6BCR
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3AYK
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![BU of 3ayk by Molmil](/molmil-images/mine/3ayk) | CATALYTIC FRAGMENT OF HUMAN FIBROBLAST COLLAGENASE COMPLEXED WITH CGS-27023A, NMR, MINIMIZED AVERAGE STRUCTURE | Descriptor: | CALCIUM ION, N-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3-PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE, PROTEIN (COLLAGENASE), ... | Authors: | Powers, R, Moy, F.J. | Deposit date: | 1999-02-01 | Release date: | 1999-06-07 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | NMR solution structure of the catalytic fragment of human fibroblast collagenase complexed with a sulfonamide derivative of a hydroxamic acid compound. Biochemistry, 38, 1999
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1VZX
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![BU of 1vzx by Molmil](/molmil-images/mine/1vzx) | Roles of active site tryptophans in substrate binding and catalysis by ALPHA-1,3 GALACTOSYLTRANSFERASE | Descriptor: | GLYCEROL, MANGANESE (II) ION, N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYLTRANSFERASE, ... | Authors: | Zhang, Y, Deshpande, A, Xie, Z, Natesh, R, Acharya, K.R, Brew, K. | Deposit date: | 2004-05-28 | Release date: | 2004-07-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Roles of active site tryptophans in substrate binding and catalysis by alpha-1,3 galactosyltransferase. Glycobiology, 14, 2004
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