6ANI
 
 | | Coltuximab Fab in complex with anti-Kappa VHH domain | | Descriptor: | Anti-Kappa VHH domain, Coltuximab Fab heavy chain, Coltuximab Fab light chain, ... | | Authors: | Ereno Orbea, J, Sicard, T, Julien, J.-P. | | Deposit date: | 2017-08-13 | | Release date: | 2018-01-31 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Basis of Enhanced Crystallizability Induced by a Molecular Chaperone for Antibody Antigen-Binding Fragments.
J. Mol. Biol., 430, 2018
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1ZSL
 | | Factor XI complexed with a pyrimidinone inhibitor | | Descriptor: | 2-(2-(3,4-DICHLOROPHENYL)-5-(ISOPROPYLAMINO)-6-OXOPYRIMIDIN-1(6H)-YL)-N-((S)-1-OXO-1-(THIAZOL-2-YL)-5-GUANIDINOPENTAN-2-YL)ACETAMIDE, Coagulation factor XI | | Authors: | Nagafuji, P, Jin, L, Rynkiewicz, M, Quinn, J, Bibbins, F, Meyers, H, Babine, R, Strickler, J, Abdel-Meguid, S. | | Deposit date: | 2005-05-24 | | Release date: | 2006-05-09 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Pyrimidinone Inhibitors of a Thrombolytic Protease
To be Published
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7UFJ
 | | Structure of human MR1-ethylvanillin in complex with human MAIT A-F7 TCR | | Descriptor: | 3-ethoxy-4-hydroxybenzaldehyde, ACETATE ION, Beta-2-microglobulin, ... | | Authors: | Wang, C.J, Rossjohn, J, Le Nours, J. | | Deposit date: | 2022-03-22 | | Release date: | 2022-12-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Quantitative affinity measurement of small molecule ligand binding to Major Histocompatibility Complex class-I related protein 1 MR1.
J.Biol.Chem., 298, 2022
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4GY5
 | | Crystal structure of the tandem tudor domain and plant homeodomain of UHRF1 with Histone H3K9me3 | | Descriptor: | E3 ubiquitin-protein ligase UHRF1, Peptide from Histone H3.3, ZINC ION | | Authors: | Cheng, J, Yang, Y, Fang, J, Xiao, J, Zhu, T, Chen, F, Wang, P, Xu, Y. | | Deposit date: | 2012-09-05 | | Release date: | 2012-11-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.956 Å) | | Cite: | Structural insight into coordinated recognition of trimethylated histone H3 lysine 9 (H3K9me3) by the plant homeodomain (PHD) and tandem tudor domain (TTD) of UHRF1 (ubiquitin-like, containing PHD and RING finger domains, 1) protein
J.Biol.Chem., 288, 2013
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5KC6
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6ANA
 | | LL2 Fab in complex with anti-Kappa VHH domain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, LL2 Fab Heavy Chain, LL2 Fab Light Chain, ... | | Authors: | Sicard, T, Ereno Orbea, J, Julien, J.-P. | | Deposit date: | 2017-08-12 | | Release date: | 2018-01-31 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Basis of Enhanced Crystallizability Induced by a Molecular Chaperone for Antibody Antigen-Binding Fragments.
J. Mol. Biol., 430, 2018
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4J2S
 | | Macrolepiota procera ricin B-like lectin (MPL) in complex with Di-LacNAc | | Descriptor: | BENZAMIDINE, Ricin B-like lectin, beta-D-galactopyranose-(1-4)-methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside | | Authors: | Renko, M, Zurga, S, Sabotic, J, Pohleven, J, Kos, J, Turk, D. | | Deposit date: | 2013-02-05 | | Release date: | 2013-11-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Macrolepiota procera ricin B-like lectin (MPL) in complex with Di-LacNAc
To be Published
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6FIB
 | | Structure of human 4-1BB ligand | | Descriptor: | Tumor necrosis factor ligand superfamily member 9, Tumor necrosis factor ligand superfamily member 9,4-1BBL -CH/CL fusion, Tumor necrosis factor ligand superfamily member 9,Uncharacterized protein | | Authors: | Joseph, C, Claus, C, Ferrara, C, von Hirschheydt, T, Prince, C, Funk, D, Klein, C, Benz, J. | | Deposit date: | 2018-01-17 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Tumor-targeted 4-1BB agonists for combination with T cell bispecific antibodies as off-the-shelf therapy.
Sci Transl Med, 11, 2019
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1YBW
 | | Protease domain of HGFA with no inhibitor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hepatocyte growth factor activator precursor | | Authors: | Shia, S, Stamos, J, Kirchhofer, D, Fan, B, Wu, J, Corpuz, R.T, Santell, L, Lazarus, R.A, Eigenbrot, C. | | Deposit date: | 2004-12-21 | | Release date: | 2005-02-15 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Conformational lability in serine protease active sites: structures of hepatocyte growth factor activator (HGFA) alone and with the inhibitory domain from HGFA inhibitor-1B.
J.Mol.Biol., 346, 2005
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1Y4H
 | | Wild type staphopain-staphostatin complex | | Descriptor: | CHLORIDE ION, SULFATE ION, cysteine protease, ... | | Authors: | Filipek, R, Potempa, J, Bochtler, M. | | Deposit date: | 2004-11-30 | | Release date: | 2005-01-18 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | A comparison of staphostatin B with standard mechanism serine protease inhibitors.
J.Biol.Chem., 280, 2005
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5GW8
 | | Crystal structure of a putative DAG-like lipase (MgMDL2) from Malassezia globosa | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, ... | | Authors: | Xu, J, Xu, H, Liu, J. | | Deposit date: | 2016-09-09 | | Release date: | 2017-09-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Malassezia globosa MgMDL2 lipase: Crystal structure and rational modification of substrate specificity.
Biochem. Biophys. Res. Commun., 488, 2017
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4IZX
 | | Macrolepiota procera ricin B-like lectin (MPL) in complex with lactose | | Descriptor: | BENZAMIDINE, Ricin B-like lectin, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Renko, M, Zurga, S, Sabotic, J, Pohleven, J, Kos, J, Turk, D. | | Deposit date: | 2013-01-30 | | Release date: | 2013-11-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Macrolepiota procera ricin B-like lectin (MPL) in complex with lactose
To be Published
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6GA4
 | | Bacteriorhodopsin, 1 ps state, real-space refined against 15% extrapolated map | | 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, Schlichting, I. | | Deposit date: | 2018-04-11 | | Release date: | 2019-04-24 | | Last modified: | 2019-07-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin.
Nat Commun, 10, 2019
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6GAD
 | | BACTERIORHODOPSIN, 530 FS STATE, REAL-SPACE REFINED AGAINST 15% EXTRAPOLATED STRUCTURE FACTORS | | 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, Schlichting, I. | | Deposit date: | 2018-04-11 | | Release date: | 2019-04-24 | | Last modified: | 2019-07-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin.
Nat Commun, 10, 2019
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5K1K
 | | Crystal structure of oxidized Shewanella Yellow Enzyme 4 (SYE4) in complex with p-hydroxybenzaldehyde | | Descriptor: | FLAVIN MONONUCLEOTIDE, NAD(P)H:flavin oxidoreductase Sye4, Octadecane, ... | | Authors: | Elegheert, J, Brige, A, Savvides, S.-N. | | Deposit date: | 2016-05-18 | | Release date: | 2017-06-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.301 Å) | | Cite: | Structural dissection of Shewanella oneidensis old yellow enzyme 4 bound to a Meisenheimer complex and (nitro)phenolic ligands.
FEBS Lett., 591, 2017
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5JUV
 | | STRUCTURE OF E298Q-BETA-GALACTOSIDASE FROM ASPERGILLUS NIGER IN COMPLEX WITH 6-b-Galactopyranosyl galactose | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, PENTAETHYLENE GLYCOL, ... | | Authors: | Rico-Diaz, A, Ramirez-Escudero, M, Vizoso Vazquez, A, Cerdan, M.E, Becerra, M, Sanz-Aparicio, J. | | Deposit date: | 2016-05-10 | | Release date: | 2017-04-19 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Structural features of Aspergillus niger beta-galactosidase define its activity against glycoside linkages.
FEBS J., 284, 2017
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1YBZ
 | | Conserved hypothetical protein from Pyrococcus furiosus Pfu-1581948-001 | | Descriptor: | UNKNOWN ATOM OR ION, chorismate mutase | | Authors: | Lee, D, Chen, L, Nguyen, D, Dillard, B.D, Tempel, W, Habel, J, Zhou, W, Chang, S.-H, Kelley, L.-L.C, Liu, Z.-J, Lin, D, Zhang, H, Praissman, J, Bridger, S, Eneh, J.C, Hopkins, R.C, Jenney Jr, F.E, Lee, H.-S, Li, T, Poole II, F.L, Shah, C, Sugar, F.J, Adams, M.W.W, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2004-12-21 | | Release date: | 2005-02-01 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Conserved hypothetical protein from Pyrococcus furiosus Pfu-1581948-001
To be published
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5JT9
 | | Thermolysin in complex with JC106. | | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Krimmer, S.G, Cramer, J, Heine, A, Klebe, G. | | Deposit date: | 2016-05-09 | | Release date: | 2016-12-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Rational Design of Thermodynamic and Kinetic Binding Profiles by Optimizing Surface Water Networks Coating Protein-Bound Ligands.
J. Med. Chem., 59, 2016
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5JXN
 | | Thermolysin in complex with JC240. | | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Krimmer, S.G, Cramer, J, Heine, A, Klebe, G. | | Deposit date: | 2016-05-13 | | Release date: | 2016-12-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Rational Design of Thermodynamic and Kinetic Binding Profiles by Optimizing Surface Water Networks Coating Protein-Bound Ligands.
J. Med. Chem., 59, 2016
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6GA2
 | | Bacteriorhodopsin, dark state, cell 2 | | 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 (1.8 Å) | | Cite: | Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin.
Nat Commun, 10, 2019
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6BMH
 | | Crystal structure of MHC-I like protein | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d2, ... | | Authors: | Khandokar, Y.B, Le Nours, J, Rossjohn, J. | | Deposit date: | 2017-11-14 | | Release date: | 2018-01-31 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.298 Å) | | Cite: | Differing roles of CD1d2 and CD1d1 proteins in type I natural killer T cell development and function.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6GA9
 | | BACTERIORHODOPSIN, 390 FS STATE, REAL-SPACE REFINED AGAINST 15% EXTRAPOLATED STRUCTURE FACTORS | | 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, Schlichting, I. | | Deposit date: | 2018-04-11 | | Release date: | 2019-04-24 | | Last modified: | 2019-07-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin.
Nat Commun, 10, 2019
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5EUE
 | | S1P Lyase Bacterial Surrogate bound to N-(2-((4-methoxy-2,5-dimethylbenzyl)amino)-1-phenylethyl)-5-methylisoxazole-3-carboxamide | | Descriptor: | PHOSPHATE ION, Putative sphingosine-1-phosphate lyase, ~{N}-[(1~{S})-2-[(4-methoxy-2,5-dimethyl-phenyl)methylamino]-1-phenyl-ethyl]-5-methyl-1,2-oxazole-3-carboxamide | | Authors: | Argiriadi, M.A, Banach, D, Radziejewska, E, Marchie, S, DiMauro, J, Dinges, J, Dominguez, E, Hutchins, C, Judge, R.A, Queeney, K, Wallace, G, Harris, C.M. | | Deposit date: | 2015-11-18 | | Release date: | 2016-03-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | Creation of a S1P Lyase bacterial surrogate for structure-based drug design.
Bioorg.Med.Chem.Lett., 26, 2016
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4H0D
 | | New Delhi Metallo-beta-Lactamase-1 Complexed with Mn from Klebsiella pneumoniae | | Descriptor: | (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase NDM-1, ... | | Authors: | Kim, Y, Tesar, C, Jedrzejczak, R, Babnigg, J, Binkowski, T.A, Mire, J, Sacchettini, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | | Deposit date: | 2012-09-07 | | Release date: | 2012-09-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.498 Å) | | Cite: | New Delhi Metallo-beta-Lactamase-1 Complexed with Mn from Klebsiella pneumoniae
To be Published
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5EUD
 | | S1P Lyase Bacterial Surrogate bound to N-(1-(4-(3-hydroxyprop-1-yn-1-yl)phenyl)-2-((4-methoxy-2,5-dimethylbenzyl)amino)ethyl)-5-methylisoxazole-3-carboxamide | | Descriptor: | PHOSPHATE ION, Putative sphingosine-1-phosphate lyase, ~{N}-[(1~{S})-2-[(4-methoxy-2,5-dimethyl-phenyl)methylamino]-1-[4-(3-oxidanylprop-1-ynyl)phenyl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide | | Authors: | Argiriadi, M.A, Banach, D, Radziejewska, E, Marchie, S, DiMauro, J, Dinges, J, Dominguez, E, Hutchins, C, Judge, R.A, Queeney, K, Wallace, G, Harris, C.M. | | Deposit date: | 2015-11-18 | | Release date: | 2016-03-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Creation of a S1P Lyase bacterial surrogate for structure-based drug design.
Bioorg.Med.Chem.Lett., 26, 2016
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