4NEV
 
 | | Crystal structure of Trypanothione Reductase from Trypanosoma brucei in complex with inhibitor EP127 (5-{5-[1-(PYRROLIDIN-1-YL)CYCLOHEXYL]-1,3-THIAZOL-2-YL}-1H-INDOLE) | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Persch, E, Bryson, S, Pai, E.F, Krauth-Siegel, R.L, Diederich, F. | | Deposit date: | 2013-10-30 | | Release date: | 2014-05-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Binding to large enzyme pockets: small-molecule inhibitors of trypanothione reductase.
Chemmedchem, 9, 2014
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4NKO
 | | Crystal structure of engineered anti-EE scFv antibody fragment | | Descriptor: | Engineered scFv | | Authors: | Kalyoncu, S, Hyun, J, Pai, J.C, Johnson, J.L, Etzminger, K, Jain, A, Heaner Jr, D, Molares, I.A, Truskett, T.M, Maynard, J.A, Lieberman, R.L. | | Deposit date: | 2013-11-12 | | Release date: | 2014-03-12 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (3.496 Å) | | Cite: | Effects of protein engineering and rational mutagenesis on crystal lattice of single chain antibody fragments.
Proteins, 82, 2014
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4NLC
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4P05
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4N5R
 | | Hen egg-white lysozyme phased using free-electron laser data | | Descriptor: | 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, GADOLINIUM ATOM, Lysozyme C | | Authors: | Barends, T.R.M, Foucar, L, Botha, S, Doak, R.B, Shoeman, R.L, Nass, K, Koglin, J.E, Williams, G.J, Boutet, S, Messerschmidt, M, Schlichting, I. | | Deposit date: | 2013-10-10 | | Release date: | 2013-11-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | De novo protein crystal structure determination from X-ray free-electron laser data.
Nature, 505, 2014
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4NKM
 | | Crystal structure of engineered anti-EE scFv antibody fragment | | Descriptor: | Engineered scFv | | Authors: | Kalyoncu, S, Hyun, J, Pai, J.C, Johnson, J.L, Etzminger, K, Jain, A, Heaner Jr, D, Molares, I.A, Truskett, T.M, Maynard, J.A, Lieberman, R.L. | | Deposit date: | 2013-11-12 | | Release date: | 2014-03-12 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (3.71 Å) | | Cite: | Effects of protein engineering and rational mutagenesis on crystal lattice of single chain antibody fragments.
Proteins, 82, 2014
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7A1T
 | | A collapsed hexameric state of a de novo coiled-coil assembly: CC-Type2-(GgLaId)4-W19BrPhe. | | Descriptor: | ACETATE ION, CADMIUM ION, CC-Type2-(GgLaId)4-W19BrPhe, ... | | Authors: | Rhys, G.G, Brady, R.L, Woolfson, D.N. | | Deposit date: | 2020-08-14 | | Release date: | 2021-05-19 | | Last modified: | 2021-11-17 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Coiled coils 9-to-5: rational de novo design of alpha-helical barrels with tunable oligomeric states.
Chem Sci, 12, 2021
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4P4U
 | | Nucleotide-free stalkless-MxA | | Descriptor: | Interferon-induced GTP-binding protein Mx1, SULFATE ION | | Authors: | Rennie, M.L, McKelvie, S.A, Bulloch, E.M, Kingston, R.L. | | Deposit date: | 2014-03-13 | | Release date: | 2014-11-05 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Transient Dimerization of Human MxA Promotes GTP Hydrolysis, Resulting in a Mechanical Power Stroke.
Structure, 22, 2014
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4PN9
 | | A de novo designed hexameric coiled coil CC-Hex2 | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CC-Hex2 | | Authors: | Wood, C.W, Burton, A.J, Thomson, A.R, Brady, R.L, Woolfson, D.N. | | Deposit date: | 2014-05-23 | | Release date: | 2014-10-22 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Computational design of water-soluble alpha-helical barrels.
Science, 346, 2014
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4PNA
 | | A de novo designed heptameric coiled coil CC-Hept | | Descriptor: | CC-Hept, GLYCEROL | | Authors: | Burton, A.J, Wood, C.W, Thomson, A.R, Brady, R.L, Woolfson, D.N. | | Deposit date: | 2014-05-23 | | Release date: | 2014-10-22 | | Last modified: | 2017-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Computational design of water-soluble alpha-helical barrels.
Science, 346, 2014
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4P7B
 | | Crystal structure of S. typhimurium peptidyl-tRNA hydrolase | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Peptidyl-tRNA hydrolase | | Authors: | Vandavasi, V.G, McFeeters, R.L, Taylor-Creel, K, Coates, L, McFeeters, H. | | Deposit date: | 2014-03-26 | | Release date: | 2014-07-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Recombinant production, crystallization and X-ray crystallographic structure determination of peptidyl-tRNA hydrolase from Salmonella typhimurium.
Acta Crystallogr.,Sect.F, 70, 2014
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4NJA
 | | Crystal structure of Fab 6C8 in complex with MPTS | | Descriptor: | 6C8 heavy chain, 6C8 light chain, 8-methoxypyrene-1,3,6-trisulfonic acid, ... | | Authors: | Stanfield, R.L, Romesberg, F.E, Zimmermann, J, Wilson, I.A. | | Deposit date: | 2013-11-08 | | Release date: | 2014-11-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.204 Å) | | Cite: | Adaptive Mutations Alter Antibody Structure and Dynamics during Affinity Maturation.
Biochemistry, 54, 2015
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4NKE
 | | The effects of Lysine 200 and Phenylalanine 239 Farnesyl Pyrophosphate Synthase (FPPS) mutations on the catalytic activity, crystal structure and inhibition by nitrogen containing bisphosphonates | | Descriptor: | 1,2-ETHANEDIOL, 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, ... | | Authors: | Tsoumpra, M.K, Barnett, B.L, Muniz, J.R.C, Walter, R.L, Ebetino, F.H, von Delft, F, Russell, R.G.G, Oppermann, U, Dunford, J.E. | | Deposit date: | 2013-11-12 | | Release date: | 2014-11-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | The effects of Lysine 200 and Phenylalanine 239 Farnesyl Pyrophosphate Synthase (FPPS) mutations on the catalytic activity, crystal structure and inhibition by nitrogen containing bisphosphonates
To be Published
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4NLB
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4NWU
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4NXS
 | | Crystal structure of human alpha-galactosidase A in complex with 1-deoxygalactonojirimycin-pFPhT | | Descriptor: | (2R,3S,4R,5S)-N-(4-fluorophenyl)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidine-1-carbothioamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Johnson, J.L, Drury, J.E, Lieberman, R.L. | | Deposit date: | 2013-12-09 | | Release date: | 2014-06-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.5493 Å) | | Cite: | Molecular Basis of 1-Deoxygalactonojirimycin Arylthiourea Binding to Human alpha-Galactosidase A: Pharmacological Chaperoning Efficacy on Fabry Disease Mutants.
Acs Chem.Biol., 9, 2014
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5W6D
 | | Crystal structure of BG505-SOSIP.v4.1-GT1-N137A in complex with Fabs 35022 and 9H/109L | | Descriptor: | 109L FAB light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Garces, F, Stanfield, R.L, Wilson, I.A. | | Deposit date: | 2017-06-16 | | Release date: | 2017-07-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.202 Å) | | Cite: | Design and crystal structure of a native-like HIV-1 envelope trimer that engages multiple broadly neutralizing antibody precursors in vivo.
J. Exp. Med., 214, 2017
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7ADF
 | | SFX structure of dehaloperoxidase B in the ferric form | | Descriptor: | Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | Moreno Chicano, T, Ebrahim, A.E, Axford, D.A, Sherrell, D.A, Sugimoto, H, Tono, K, Owada, S, Worrall, J.W, Strange, R.W, Owen, R.L, Hough, M.A. | | Deposit date: | 2020-09-14 | | Release date: | 2021-10-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | SFX structure of dehaloperoxidase B in the ferric form
to be published
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7ACP
 | | Serial synchrotron structure of dehaloperoxidase B | | Descriptor: | Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | Moreno Chicano, T, Ebrahim, A.E, Axford, D.A, Sherrell, D.A, Worrall, J.W, Strange, R.W, Owen, R.L, Hough, M.A. | | Deposit date: | 2020-09-11 | | Release date: | 2021-10-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | SFX structure of dehaloperoxidase B in the ferric form
to be published
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7ADX
 | | SFX structure of dehaloperoxidase B in the oxyferrous form | | Descriptor: | Dehaloperoxidase B, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Moreno Chicano, T, Ebrahim, A, Worrall, J.W, Axford, D.A, Owada, S, Tosha, T, Sugimoto, H, Strange, R.W, Owen, R.L, Hough, M.A. | | Deposit date: | 2020-09-16 | | Release date: | 2021-10-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | SFX structure of dehaloperoxidase B from Amphitrite ornata in the oxyferrous form
To Be Published
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7AB5
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7AB4
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7AB3
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4NWT
 | | Crystal structure of the anti-human NGF Fab APE1531 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, APE1531 Ab Fab heavy chain, ... | | Authors: | Verdino, P, Stanfield, R.L, Wilson, I.A. | | Deposit date: | 2013-12-06 | | Release date: | 2014-10-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Nucleotide insertions and deletions complement point mutations to massively expand the diversity created by somatic hypermutation of antibodies.
J.Biol.Chem., 289, 2014
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4PBU
 | | Serial Time-resolved crystallography of Photosystem II using a femtosecond X-ray laser The S1 state | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE, ... | | Authors: | Kupitz, C, Basu, S, Grotjohann, I, Fromme, R, Zatsepin, N, Rendek, K.N, Hunter, M, Shoeman, R.L, White, T.A, Wang, D, James, D, Yang, J.H, Cobb, D.E, Reeder, B, Sierra, R.G, Liu, H, Barty, A, Aquila, A, Deponte, D, Kirian, R.A, Bari, S, Bergkamp, J.J, Beyerlein, K, Bogan, M.J, Caleman, C, Chao, T.-C, Conrad, C.E, Davis, K.M, Fleckenstein, H, Galli, L, Hau-Riege, S.P, Kassemeyer, S, Laksmono, H, Liang, M, Lomb, L, Marchesini, S, Martin, A.V, Messerschmidt, M, Milathianaki, D, Nass, K, Ros, A, Roy-Chowdhury, S, Schmidt, K, Seibert, M, Steinbrener, J, Stellato, F, Yan, L, Yoon, C, Moore, T.A, Moore, A.L, Pushkar, Y, Williams, G.J, Boutet, S, Doak, R.B, Weierstall, U, Frank, M, Chapman, H.N, Spence, J.C.H, Fromme, P. | | Deposit date: | 2014-04-13 | | Release date: | 2014-07-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (5 Å) | | Cite: | Serial time-resolved crystallography of photosystem II using a femtosecond X-ray laser.
Nature, 513, 2014
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