6GA3
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![BU of 6ga3 by Molmil](/molmil-images/mine/6ga3) | Bacteriorhodopsin, 33 ms state, ensemble refinement | Descriptor: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | Authors: | Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Barends, T.R.M, Schlichting, I. | Deposit date: | 2018-04-11 | Release date: | 2019-04-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin. Nat Commun, 10, 2019
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6W4R
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![BU of 6w4r by Molmil](/molmil-images/mine/6w4r) | Structure of Tdp1 catalytic domain in complex with inhibitor XZ633p | Descriptor: | 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, 4-{[2-(2-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino}benzene-1,2-dicarboxylic acid, ... | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R, Waugh, D.S. | Deposit date: | 2020-03-11 | Release date: | 2021-03-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.819 Å) | Cite: | Tdp1 catalytic domain To Be Published
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6W7L
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![BU of 6w7l by Molmil](/molmil-images/mine/6w7l) | Structure of Tdp1 catalytic domain in complex with inhibitor XZ632p | Descriptor: | 1,2-ETHANEDIOL, 4-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzene-1,2-dicarboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R, Waugh, D.S. | Deposit date: | 2020-03-19 | Release date: | 2021-03-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.856 Å) | Cite: | Small molecule microarray identifies inhibitors of tyrosyl-DNA phosphodiesterase 1 that simultaneously access the catalytic pocket and two substrate binding sites Chemical Science, 12, 2021
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6W7K
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![BU of 6w7k by Molmil](/molmil-images/mine/6w7k) | Structure of Tdp1 catalytic domain in complex with inhibitor XZ634p | Descriptor: | 1,2-ETHANEDIOL, 4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)amino]benzene-1,2-dicarboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R, Waugh, D.S. | Deposit date: | 2020-03-19 | Release date: | 2021-03-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Small molecule microarray identifies inhibitors of tyrosyl-DNA phosphodiesterase 1 that simultaneously access the catalytic pocket and two substrate binding sites Chemical Science, 12, 2021
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6W7J
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![BU of 6w7j by Molmil](/molmil-images/mine/6w7j) | Structure of Tdp1 catalytic domain in complex with inhibitor XZ635p | Descriptor: | 1,2-ETHANEDIOL, 4-{[2-(2-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]amino}benzene-1,2-dicarboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R, Waugh, D.S. | Deposit date: | 2020-03-19 | Release date: | 2021-03-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.489 Å) | Cite: | Tdp1 catalytic domain To Be Published
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6W1Q
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![BU of 6w1q by Molmil](/molmil-images/mine/6w1q) | RT XFEL structure of Photosystem II 50 microseconds after the second illumination at 2.27 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: | Ibrahim, M, Fransson, T, Chatterjee, R, Cheah, M.H, Hussein, R, Lassalle, L, Sutherlin, K.D, Young, I.D, Fuller, F.D, Gul, S, Kim, I.-S, Simon, P.S, de Lichtenberg, C, Chernev, P, Bogacz, I, Pham, C, Orville, A.M, Saichek, N, Northen, T.R, Batyuk, A, Carbajo, S, Alonso-Mori, R, Tono, K, Owada, S, Bhowmick, A, Bolotovski, R, Mendez, D, Moriarty, N.W, Holton, J.M, Dobbek, H, Brewster, A.S, Adams, P.D, Sauter, N.K, Bergmann, U, Zouni, A, Messinger, J, Kern, J, Yachandra, V.K, Yano, J. | Deposit date: | 2020-03-04 | Release date: | 2020-05-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Untangling the sequence of events during the S2→ S3transition in photosystem II and implications for the water oxidation mechanism. Proc.Natl.Acad.Sci.USA, 117, 2020
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6W1T
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![BU of 6w1t by Molmil](/molmil-images/mine/6w1t) | RT XFEL structure of Photosystem II 250 microseconds after the second illumination at 2.01 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: | Ibrahim, M, Fransson, T, Chatterjee, R, Cheah, M.H, Hussein, R, Lassalle, L, Sutherlin, K.D, Young, I.D, Fuller, F.D, Gul, S, Kim, I.-S, Simon, P.S, de Lichtenberg, C, Chernev, P, Bogacz, I, Pham, C, Orville, A.M, Saichek, N, Northen, T.R, Batyuk, A, Carbajo, S, Alonso-Mori, R, Tono, K, Owada, S, Bhowmick, A, Bolotovski, R, Mendez, D, Moriarty, N.W, Holton, J.M, Dobbek, H, Brewster, A.S, Adams, P.D, Sauter, N.K, Bergmann, U, Zouni, A, Messinger, J, Kern, J, Yachandra, V.K, Yano, J. | Deposit date: | 2020-03-04 | Release date: | 2020-05-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Untangling the sequence of events during the S2→ S3transition in photosystem II and implications for the water oxidation mechanism. Proc.Natl.Acad.Sci.USA, 117, 2020
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6W1U
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![BU of 6w1u by Molmil](/molmil-images/mine/6w1u) | RT XFEL structure of Photosystem II 400 microseconds after the second illumination at 2.09 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: | Ibrahim, M, Fransson, T, Chatterjee, R, Cheah, M.H, Hussein, R, Lassalle, L, Sutherlin, K.D, Young, I.D, Fuller, F.D, Gul, S, Kim, I.-S, Simon, P.S, de Lichtenberg, C, Chernev, P, Bogacz, I, Pham, C, Orville, A.M, Saichek, N, Northen, T.R, Batyuk, A, Carbajo, S, Alonso-Mori, R, Tono, K, Owada, S, Bhowmick, A, Bolotovski, R, Mendez, D, Moriarty, N.W, Holton, J.M, Dobbek, H, Brewster, A.S, Adams, P.D, Sauter, N.K, Bergmann, U, Zouni, A, Messinger, J, Kern, J, Yachandra, V.K, Yano, J. | Deposit date: | 2020-03-04 | Release date: | 2020-05-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Untangling the sequence of events during the S2→ S3transition in photosystem II and implications for the water oxidation mechanism. Proc.Natl.Acad.Sci.USA, 117, 2020
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5M88
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![BU of 5m88 by Molmil](/molmil-images/mine/5m88) | Spliceosome component | Descriptor: | Core | Authors: | Moura, T.R, Pena, V. | Deposit date: | 2016-10-28 | Release date: | 2018-02-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Prp19/Pso4 Is an Autoinhibited Ubiquitin Ligase Activated by Stepwise Assembly of Three Splicing Factors. Mol. Cell, 69, 2018
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5M89
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![BU of 5m89 by Molmil](/molmil-images/mine/5m89) | Spliceosome component | Descriptor: | Spliceosome WD40 Sc | Authors: | Moura, T.R, Pena, V. | Deposit date: | 2016-10-28 | Release date: | 2018-03-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.605 Å) | Cite: | Prp19/Pso4 Is an Autoinhibited Ubiquitin Ligase Activated by Stepwise Assembly of Three Splicing Factors. Mol. Cell, 69, 2018
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7RD6
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![BU of 7rd6 by Molmil](/molmil-images/mine/7rd6) | Structure of the S. cerevisiae P4B ATPase lipid flippase in the E2P state | Descriptor: | BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, Probable phospholipid-transporting ATPase NEO1 | Authors: | Bai, L, Jain, B.K, You, Q, Duan, H.D, Graham, T.R, Li, H. | Deposit date: | 2021-07-09 | Release date: | 2021-09-29 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.25 Å) | Cite: | Structural basis of the P4B ATPase lipid flippase activity. Nat Commun, 12, 2021
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7RD8
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![BU of 7rd8 by Molmil](/molmil-images/mine/7rd8) | Structure of the S. cerevisiae P4B ATPase lipid flippase in the E1-ATP state | Descriptor: | MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Probable phospholipid-transporting ATPase NEO1 | Authors: | Bai, L, Jain, B.K, You, Q, Duan, H.D, Graham, T.R, Li, H. | Deposit date: | 2021-07-09 | Release date: | 2021-09-29 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (5.64 Å) | Cite: | Structural basis of the P4B ATPase lipid flippase activity. Nat Commun, 12, 2021
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7RD7
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![BU of 7rd7 by Molmil](/molmil-images/mine/7rd7) | Structure of the S. cerevisiae P4B ATPase lipid flippase in the E2P-transition state | Descriptor: | MAGNESIUM ION, Probable phospholipid-transporting ATPase NEO1, TETRAFLUOROALUMINATE ION | Authors: | Bai, L, Jain, B.K, You, Q, Duan, H.D, Graham, T.R, Li, H. | Deposit date: | 2021-07-09 | Release date: | 2021-09-29 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.08 Å) | Cite: | Structural basis of the P4B ATPase lipid flippase activity. Nat Commun, 12, 2021
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6GF0
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![BU of 6gf0 by Molmil](/molmil-images/mine/6gf0) | Lysozyme structure determined from SFX data using a Sheet-on-Sheet chipless chip | Descriptor: | Lysozyme C | Authors: | Doak, R.B, Gorel, A, Foucar, L, Gruenbein, M.L, Hilpert, M, Kloos, M, Nass Kovacs, G, Roome, C, Shoeman, R.L, Stricker, M, Tono, K, You, D, Ueda, K, Sherrel, D, Owen, R, Barends, T.R.M, Schlichting, I. | Deposit date: | 2018-04-27 | Release date: | 2018-10-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Crystallography on a chip - without the chip: sheet-on-sheet sandwich. Acta Crystallogr D Struct Biol, 74, 2018
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5LF3
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![BU of 5lf3 by Molmil](/molmil-images/mine/5lf3) | Human 20S proteasome complex with Bortezomib at 2.1 Angstrom | Descriptor: | CHLORIDE ION, MAGNESIUM ION, N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, ... | Authors: | Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A. | Deposit date: | 2016-06-30 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design. Science, 353, 2016
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5LF1
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![BU of 5lf1 by Molmil](/molmil-images/mine/5lf1) | Human 20S proteasome complex with Dihydroeponemycin at 2.0 Angstrom | Descriptor: | CHLORIDE ION, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ... | Authors: | Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A. | Deposit date: | 2016-06-30 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design. Science, 353, 2016
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1G5N
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![BU of 1g5n by Molmil](/molmil-images/mine/1g5n) | ANNEXIN V COMPLEX WITH HEPARIN OLIGOSACCHARIDES | Descriptor: | 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, ANNEXIN V, CALCIUM ION | Authors: | Capila, I, Heraiz, M.J, Mo, Y.D, Mealy, T.R, Campos, B, Dedman, J.R, Linhardt, R.J, Seaton, B.A. | Deposit date: | 2000-11-01 | Release date: | 2001-06-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Annexin V--heparin oligosaccharide complex suggests heparan sulfate--mediated assembly on cell surfaces. Structure, 9, 2001
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6WVV
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![BU of 6wvv by Molmil](/molmil-images/mine/6wvv) | Plasmodium vivax M17 leucyl aminopeptidase | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, M17 leucyl aminopeptidase, ... | Authors: | Malcolm, T.R, Drinkwater, N, McGowan, S. | Deposit date: | 2020-05-07 | Release date: | 2020-12-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Active site metals mediate an oligomeric equilibrium in Plasmodium M17 aminopeptidases. J.Biol.Chem., 296, 2020
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5LEZ
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![BU of 5lez by Molmil](/molmil-images/mine/5lez) | Human 20S proteasome complex with Oprozomib in Mg-Acetate at 2.2 Angstrom | Descriptor: | ACETATE ION, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ... | Authors: | Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A. | Deposit date: | 2016-06-30 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design. Science, 353, 2016
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5N35
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![BU of 5n35 by Molmil](/molmil-images/mine/5n35) | Gadolinium phased PBP2 (SSO6202) at 2.2 Ang | Descriptor: | GADOLINIUM ATOM, GLYCEROL, NITRATE ION, ... | Authors: | Yan, J, Beattie, T.R, Rojas, A.L, Schermerhorn, K, Gristwood, T, Trinidad, J.C, Albers, S.V, Roversi, P, Gardner, A.F, Abrescia, N.G.A, Bell, S.D. | Deposit date: | 2017-02-08 | Release date: | 2017-05-17 | Last modified: | 2017-12-06 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Identification and characterization of a heterotrimeric archaeal DNA polymerase holoenzyme. Nat Commun, 8, 2017
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6H2M
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![BU of 6h2m by Molmil](/molmil-images/mine/6h2m) | Long wavelength Mesh&Collect native SAD phasing on microcrystals | Descriptor: | CALCIUM ION, Concanavalin-A,Concanavalin-A, MANGANESE (II) ION | Authors: | Cianci, M, Nanao, M, Schneider, T.R. | Deposit date: | 2018-07-13 | Release date: | 2019-03-13 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.929 Å) | Cite: | Long-wavelength Mesh&Collect native SAD phasing from microcrystals. Acta Crystallogr D Struct Biol, 75, 2019
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1GID
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![BU of 1gid by Molmil](/molmil-images/mine/1gid) | CRYSTAL STRUCTURE OF A GROUP I RIBOZYME DOMAIN: PRINCIPLES OF RNA PACKING | Descriptor: | COBALT HEXAMMINE(III), MAGNESIUM ION, P4-P6 RNA RIBOZYME DOMAIN | Authors: | Cate, J.H, Gooding, A.R, Podell, E, Zhou, K, Golden, B.L, Kundrot, C.E, Cech, T.R, Doudna, J.A. | Deposit date: | 1996-08-22 | Release date: | 1996-12-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of a group I ribozyme domain: principles of RNA packing. Science, 273, 1996
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6FKG
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![BU of 6fkg by Molmil](/molmil-images/mine/6fkg) | Crystal structure of the M.tuberculosis MbcT-MbcA toxin-antitoxin complex. | Descriptor: | GLYCEROL, Rv1989c (MbcT), Rv1990c (MbcA) | Authors: | Freire, D.M, Cianci, M, Pogenberg, V, Schneider, T.R, Wilmanns, M, Parret, A.H.A. | Deposit date: | 2018-01-24 | Release date: | 2019-02-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | An NAD+Phosphorylase Toxin Triggers Mycobacterium tuberculosis Cell Death. Mol.Cell, 73, 2019
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6WPG
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![BU of 6wpg by Molmil](/molmil-images/mine/6wpg) | Structural Basis of Salicylic Acid Perception by Arabidopsis NPR Proteins | Descriptor: | 2-HYDROXYBENZOIC ACID, Regulatory protein NPR4 | Authors: | Wang, W, Withers, J, Li, H, Zwack, P.J, Rusnac, D.V, Shi, H, Liu, L, Yan, S, Hinds, T.R, Guttman, M, Dong, X, Zheng, N. | Deposit date: | 2020-04-27 | Release date: | 2020-08-12 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.283 Å) | Cite: | Structural basis of salicylic acid perception by Arabidopsis NPR proteins. Nature, 586, 2020
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6FH8
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![BU of 6fh8 by Molmil](/molmil-images/mine/6fh8) | E. coli surface display of streptavidin for directed evolution of an allylic deallocase | Descriptor: | Streptavidin, biotinylated ruthenium cyclopentadienide | Authors: | Heinisch, T, Schwizer, F, Garabedian, B, Csibra, E, Jeschek, M, Pinheiro Bernhardes, V, Marliere, P, Panke, S, Ward, T.R. | Deposit date: | 2018-01-12 | Release date: | 2018-08-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | E. colisurface display of streptavidin for directed evolution of an allylic deallylase. Chem Sci, 9, 2018
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