3B6L
| Crystal structure of lysozyme folded in SDS and 2-methyl-2,4-pentanediol | Descriptor: | DODECYL SULFATE, Lysozyme C | Authors: | Michaux, C, Pouyez, J, Wouters, J, Prive, G.G. | Deposit date: | 2007-10-29 | Release date: | 2008-07-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Protecting role of cosolvents in protein denaturation by SDS: a structural study. BMC Struct.Biol., 8, 2008
|
|
7U8C
| Crystal structure of Mesothelin C-terminal peptide-MORAb 15B6 FAB complex | Descriptor: | MORab 15B6 Fab heavy chain, MORab 15B6 Fab light chain, Mesothelin, ... | Authors: | Zhan, J, Esser, L, Xia, D. | Deposit date: | 2022-03-08 | Release date: | 2022-06-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Highly active CAR T cells that bind to a juxtamembrane region of mesothelin and are not blocked by shed mesothelin. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
3B7K
| Human Acyl-coenzyme A thioesterase 12 | Descriptor: | Acyl-coenzyme A thioesterase 12, COENZYME A | Authors: | Lehtio, L, Busam, R.D, Arrowsmith, C.H, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Herman, M.D, Johansson, A, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Sundstrom, M, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Berglund, H, Structural Genomics Consortium (SGC) | Deposit date: | 2007-10-31 | Release date: | 2007-11-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Human Acyl-coenzyme A thioesterase 12. To be Published
|
|
8QNN
| Crystal structure of a Class A beta-lactamase from Nocardia cyriacigeorgica | Descriptor: | Beta-lactamase, CITRATE ANION | Authors: | Feuillard, J, Couston, J, Benito, Y, Hodille, E, Dumitrescu, O, Blaise, M. | Deposit date: | 2023-09-27 | Release date: | 2024-01-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Biochemical and structural characterization of a class A beta-lactamase from Nocardia cyriacigeorgica. Acta Crystallogr.,Sect.F, 80, 2024
|
|
2WF2
| Human BACE-1 in complex with 8-ethyl-N-((1S,2R)-2-hydroxy-3-(((3-(methyloxy)phenyl)methyl)amino)-1-(phenylmethyl)propyl)-1-methyl-3,4,7, 8-tetrahydro-1H,6H-(1,2,5)thiadiazepino(5,4,3-de)quinoxaline-10- carboxamide 2,2-dioxide | Descriptor: | BETA-SECRETASE 1, N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-8-ETHYL-1-METHYL-3,4,7,8-TETRAHYDRO-1H,6H-[1,2,5]THIADIAZEPINO[5,4,3-DE]QUINOXALINE-10-CARBOXAMIDE 2,2-DIOXIDE | Authors: | Charrier, N, Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Hubbard, J, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G. | Deposit date: | 2009-04-02 | Release date: | 2009-05-19 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Second Generation of Bace-1 Inhibitors Part 2: Optimisation of the Non-Prime Side Substituent. Bioorg.Med.Chem.Lett., 19, 2009
|
|
6HBN
| HIGH-SALT STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA/CSKN2A1 GENE PRODUCT) IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR THN27 | Descriptor: | 5-propan-2-yl-4-prop-2-enoxy-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione, CHLORIDE ION, Casein kinase II subunit alpha, ... | Authors: | Niefind, K, Hochscherf, J, Dimper, V, Witulski, B, Lindenblatt, D, Jose, J, Le Borgne, M. | Deposit date: | 2018-08-10 | Release date: | 2019-03-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Diacritic Binding of an Indenoindole Inhibitor by CK2 alpha Paralogs Explored by a Reliable Path to Atomic Resolution CK2 alpha ' Structures. Acs Omega, 4, 2019
|
|
2WF0
| Human BACE-1 in complex with 4-ethyl-N-((1S,2R)-2-hydroxy-1-(phenylmethyl)-3-(((3-(trifluoromethyl)phenyl)methyl)amino)propyl)-8-(2-oxo-1-pyrrolidinyl)-6-quinolinecarboxamide | Descriptor: | BETA-SECRETASE 1, N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[3-(TRIFLUOROMETHYL)BENZYL]AMINO}PROPYL]-4-ETHYL-8-(2-OXOPYRROLIDIN-1-YL)QUINOLINE-6-CARBOXAMIDE | Authors: | Charrier, N, Clarke, B, Cutler, L, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Howes, C, Hubbard, J, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G. | Deposit date: | 2009-04-02 | Release date: | 2009-05-19 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Second Generation of Bace-1 Inhibitors. Part 1: The Need for Improved Pharmacokinetics. Bioorg.Med.Chem.Lett., 19, 2009
|
|
7TUH
| Crystal structure of anti-tapasin PaSta2-Fab | Descriptor: | PaSta2 Fab heavy chain, PaSta2 Fab kappa light chain | Authors: | Jiang, J, Natarajan, K, Taylor, D.K, Boyd, L.F, Margulies, D.H. | Deposit date: | 2022-02-02 | Release date: | 2022-09-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural mechanism of tapasin-mediated MHC-I peptide loading in antigen presentation. Nat Commun, 13, 2022
|
|
7TUD
| Crystal structure of HLA-B*44:05 (T73C) with 6mer EEFGRC and dipeptide GL | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, EEFGRC peptide, ... | Authors: | Jiang, J, Natarajan, K, Kim, E, Boyd, L.F, Margulies, D.H. | Deposit date: | 2022-02-02 | Release date: | 2022-09-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural mechanism of tapasin-mediated MHC-I peptide loading in antigen presentation. Nat Commun, 13, 2022
|
|
7TUG
| Crystal structure of Tapasin in complex with PaSta2-Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, PaSta2 Fab heavy chain, PaSta2 Fab kappa light chain, ... | Authors: | Jiang, J, Natarajan, K, Taylor, D.K, Boyd, L.F, Margulies, D.H. | Deposit date: | 2022-02-02 | Release date: | 2022-09-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.9 Å) | Cite: | Structural mechanism of tapasin-mediated MHC-I peptide loading in antigen presentation. Nat Commun, 13, 2022
|
|
7TUF
| Crystal structure of Tapasin in complex with PaSta1-Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, PaSta1 Fab heavy chain, PaSta1 Fab kappa light chain, ... | Authors: | Jiang, J, Natarajan, K, Taylor, D.K, Boyd, L.F, Margulies, D.H. | Deposit date: | 2022-02-02 | Release date: | 2022-09-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural mechanism of tapasin-mediated MHC-I peptide loading in antigen presentation. Nat Commun, 13, 2022
|
|
7TUE
| Crystal structure of Tapasin in complex with HLA-B*44:05 (T73C) | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B alpha chain, ... | Authors: | Jiang, J, Natarajan, K, Kim, E, Boyd, L.F, Margulies, D.H. | Deposit date: | 2022-02-02 | Release date: | 2022-09-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural mechanism of tapasin-mediated MHC-I peptide loading in antigen presentation. Nat Commun, 13, 2022
|
|
1ZOM
| Crystal Structure of the Catalytic Domain of Coagulation Factor XI in complex with a peptidomimetic Inhibitor | Descriptor: | (S)-2-(3-((R)-1-(4-BROMOPHENYL)ETHYL)UREIDO)-N-((S)-1-((S)-5-GUANIDINO-1-OXO-1-(THIAZOL-2-YL)PENTAN-2-YLAMINO)-3-METHYL-1-OXOBUTAN-2-YL)-5-UREIDOPENTANAMIDE, Coagulation factor XI, SULFATE ION | Authors: | Lin, J, Deng, H, Jin, L, Pandey, P, Rynkiewicz, M, Bibbins, F, Cantin, S, Quinn, J, Magee, S, Gorga, J. | Deposit date: | 2005-05-13 | Release date: | 2006-05-23 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Design, synthesis, and biological evaluation of peptidomimetic inhibitors of factor XIa as novel anticoagulants. J.Med.Chem., 49, 2006
|
|
7TUC
| Crystal structure of HLA-B*44:05 (T73C) with 9mer EEFGRAFSF | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | Authors: | Jiang, J, Natarajan, K, Kim, E, Boyd, L.F, Margulies, D.H. | Deposit date: | 2022-02-02 | Release date: | 2022-09-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Structural mechanism of tapasin-mediated MHC-I peptide loading in antigen presentation. Nat Commun, 13, 2022
|
|
3BM0
| |
3BO7
| Crystal structure of Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, 541.m00136 | Descriptor: | 1,2-ETHANEDIOL, CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE CYCLOPHILIN-TYPE, ... | Authors: | Wernimont, A.K, Lew, J, Kozieradzki, I, Lin, Y.H, Sun, X, Khuu, C, Zhao, Y, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bochkarev, A, Hui, R, Artz, J.D, Xiao, T, Structural Genomics Consortium (SGC) | Deposit date: | 2007-12-17 | Release date: | 2008-02-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal Structure of Toxoplasma Gondii Peptidyl-Prolyl Cis-Trans Isomerase, 541.M00136. To be Published
|
|
4CDQ
| Crystal structure of human Enterovirus 71 in complex with the uncoating inhibitor GPP2 | Descriptor: | 4-((5-(2-oxo-3-(pyridin-4-yl)imidazolidin-1-yl)pentyl)oxy)benzaldehyde O-ethyl oxime, SODIUM ION, VP1, ... | Authors: | DeColibus, L, Wang, X, Spyrou, J.A.B, Kelly, J, Ren, J, Grimes, J, Puerstinger, G, Stonehouse, N, Walter, T.S, Hu, Z, Wang, J, Li, X, Peng, W, Rowlands, D, Fry, E.E, Rao, Z, Stuart, D.I. | Deposit date: | 2013-11-05 | Release date: | 2014-02-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | More-Powerful Virus Inhibitors from Structure-Based Analysis of Hev71 Capsid-Binding Molecules Nat.Struct.Mol.Biol., 21, 2014
|
|
5H1D
| Crystal structure of C-terminal of RhoGDI2 | Descriptor: | Rho GDP-dissociation inhibitor 2 | Authors: | Liu, J. | Deposit date: | 2016-10-08 | Release date: | 2016-10-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.494 Å) | Cite: | NMR characterization of weak interactions between RhoGDI2 and fragment screening hits. Biochim. Biophys. Acta, 1861, 2017
|
|
3BPU
| Crystal structure of the 3rd PDZ domain of human membrane associated guanylate kinase, C677S and C709S double mutant | Descriptor: | Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1, ZINC ION | Authors: | Pilka, E.S, Hozjan, V, Cooper, C, Pike, A.C.W, Elkins, J, Doyle, D.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2007-12-19 | Release date: | 2008-01-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of the 3rd PDZ domain of human membrane associated guanylate kinase, C677S and C709S double mutant. To be Published
|
|
4CEW
| Crystal structure of human Enterovirus 71 in complex with the uncoating inhibitor ALD | Descriptor: | 4-[3-[(3s)-5-[4-[(e)-ethoxyiminomethyl]phenoxy]-3-methyl-pentyl]-2-oxidanylidene-imidazolidin-1-yl]pyridine-2-carboxamide, VP1, VP2, ... | Authors: | De Colibus, L, Wang, X, Spyrou, J.A.B, Kelly, J, Ren, J, Grimes, J, Puerstinger, G, Stonehouse, N, Walter, T.S, Hu, Z, Wang, J, Li, X, Peng, W, Rowlands, D, Fry, E.E, Rao, Z, Stuart, D.I. | Deposit date: | 2013-11-12 | Release date: | 2014-02-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | More-Powerful Virus Inhibitors from Structure-Based Analysis of Hev71 Capsid-Binding Molecules. Nat.Struct.Mol.Biol., 21, 2014
|
|
8RGS
| Serial synchrotron in plate room temperature structure of Dye Type Peroxidase Aa | Descriptor: | Deferrochelatase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Thompson, A.J, Hough, M.A, Williams, L.J, Worrall, J.A.R, Sanchez-Weatherby, J, Mikolajek, H, Sandy, J. | Deposit date: | 2023-12-14 | Release date: | 2023-12-27 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Efficient in situ screening of and data collection from microcrystals in crystallization plates. Acta Crystallogr D Struct Biol, 80, 2024
|
|
8RGW
| Serial synchrotron in plate room temperature structure of Dye Type Peroxidase Aa, 12 drops merged | Descriptor: | Deferrochelatase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Thompson, A.J, Hough, M.A, Williams, L.J, Worrall, J.A.R, Sanchez-Weatherby, J, Mikolajek, H, Sandy, J. | Deposit date: | 2023-12-14 | Release date: | 2023-12-27 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Efficient in situ screening of and data collection from microcrystals in crystallization plates. Acta Crystallogr D Struct Biol, 80, 2024
|
|
6FLD
| Carbamylated T. californica acetylcholineterase bound to uncharged hybrid reactivator 1 | Descriptor: | 1,2-ETHANEDIOL, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 2-[(~{E})-hydroxyiminomethyl]-6-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]pyridin-3-ol, ... | Authors: | De la Mora, E, Santoni, G, de Souza, J, Sussman, J, Silman, I, Baati, R, Weik, M, Nachon, F. | Deposit date: | 2018-01-25 | Release date: | 2018-08-29 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-Based Optimization of Nonquaternary Reactivators of Acetylcholinesterase Inhibited by Organophosphorus Nerve Agents. J. Med. Chem., 61, 2018
|
|
3C37
| X-ray structure of the putative Zn-dependent peptidase Q74D82 at the resolution 1.7 A. Northeast Structural Genomics Consortium target GsR143A | Descriptor: | DI(HYDROXYETHYL)ETHER, Peptidase, M48 family, ... | Authors: | Kuzin, A.P, Chen, Y, Seetharaman, J, Vorobiev, S.M, Forouhar, F, Wang, D, Mao, L, Maglaqui, M, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2008-01-27 | Release date: | 2008-02-12 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | X-ray structure of the putative Zn-dependent peptidase Q74D82 at the resolution 1.7 A. To be Published
|
|
8RGY
| Serial synchrotron in plate room temperature structure of Dye Type Peroxidase Aa, 8 drops merged | Descriptor: | Deferrochelatase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Thompson, A.J, Hough, M.A, Williams, L.J, Worrall, J.A.R, Sanchez-Weatherby, J, Mikolajek, H, Sandy, J. | Deposit date: | 2023-12-14 | Release date: | 2023-12-27 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Efficient in situ screening of and data collection from microcrystals in crystallization plates. Acta Crystallogr D Struct Biol, 80, 2024
|
|