3SE2
 
 | | Human poly(ADP-ribose) polymerase 14 (PARP14/ARTD8) - catalytic domain in complex with 6(5H)-phenanthridinone | | Descriptor: | 3-aminobenzamide, CHLORIDE ION, GLYCEROL, ... | | Authors: | Karlberg, T, Schutz, P, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Ekblad, T, Graslund, S, Kouznetsova, E, Moche, M, Nordlund, P, Nyman, T, Thorsell, A.G, Tresaugues, L, Weigelt, J, Siponen, M.I, Schuler, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-06-10 | | Release date: | 2011-07-06 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Family-wide chemical profiling and structural analysis of PARP and tankyrase inhibitors.
Nat.Biotechnol., 30, 2012
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4UHL
 | | HUMAN STEROL 14-ALPHA DEMETHYLASE (CYP51) IN COMPLEX WITH VFV IN P1 SPACE GROUP | | Descriptor: | N-[(1R)-1-(3,4'-difluorobiphenyl-4-yl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE | | Authors: | Hargrove, T.Y, Wawrzak, Z, I Lepesheva, G. | | Deposit date: | 2015-03-24 | | Release date: | 2016-06-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Human Sterol 14Alpha-Demethylase (Cyp51) as a Target for Anticancer Chemotherapy: Towards Structure-Aided Drug Design.
J.Lipid Res., 57, 2016
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4CU2
 | | C-terminal domain of CTP1L endolysin mutant V195P that reduces autoproteolysis | | Descriptor: | ENDOLYSIN | | Authors: | Dunne, M, Mertens, H.D.T, Garefalaki, V, Jeffries, C.M, Thompson, A, Lemke, E.A, Svergun, D.I, Mayer, M.J, Narbad, A, Meijers, R. | | Deposit date: | 2014-03-16 | | Release date: | 2014-08-06 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | The Cd27L and Ctp1L Endolysins Targeting Clostridia Contain a Built-in Trigger and Release Factor.
Plos Pathog., 10, 2014
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3SNP
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4D09
 | | PDE2a catalytic domain in complex with a brain penetrant inhibitor | | Descriptor: | CGMP-DEPENDENT 3', 5'-CYCLIC PHOSPHODIESTERASE, MAGNESIUM ION, ... | | Authors: | Buijnsters, P, Andres, J.I, DeAngelis, M, Langlois, X, Rombouts, F, Sanderson, W, Tresadern, G, Trabanco, A, VanHoof, G, VanRoosbroeck, Y. | | Deposit date: | 2014-04-24 | | Release date: | 2014-08-06 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-Based Design of a Potent, Selective, and Brain Penetrating Pde2 Inhibitor with Demonstrated Target Engagement.
Acs Med.Chem.Lett., 5, 2014
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5K25
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6TH0
 | | Crystal structure of Arabidopsis thaliana NAA60 in complex with acetyl-CoA | | Descriptor: | ACETYL COENZYME *A, Acyl-CoA N-acyltransferases (NAT) superfamily protein | | Authors: | Layer, D, Kopp, J, Lapouge, K, Sinning, I. | | Deposit date: | 2019-11-18 | | Release date: | 2020-06-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The Arabidopsis N alpha -acetyltransferase NAA60 locates to the plasma membrane and is vital for the high salt stress response.
New Phytol., 228, 2020
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3SD7
 | | 1.7 Angstrom Resolution Crystal Structure of Putative Phosphatase from Clostridium difficile | | Descriptor: | CHLORIDE ION, GLYCEROL, Putative phosphatase, ... | | Authors: | Minasov, G, Shuvalova, L, Dubrovska, I, Winsor, J, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2011-06-08 | | Release date: | 2011-06-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | 1.7 Angstrom Resolution Crystal Structure of Putative Phosphatase from Clostridium difficile.
TO BE PUBLISHED
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6TM0
 | | N-Domain P40/P90 Mycoplasma pneumoniae complexed with 6'SL | | Descriptor: | Mgp-operon protein 3, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Vizarraga, D, Aparicio, D, Illanes, R, Fita, I, Perez-Luque, R, Martin, J. | | Deposit date: | 2019-12-03 | | Release date: | 2020-11-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Immunodominant proteins P1 and P40/P90 from human pathogen Mycoplasma pneumoniae.
Nat Commun, 11, 2020
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5DJJ
 | | Structure of M. tuberculosis CysQ, a PAP phosphatase with PO4 and 2Mg bound | | Descriptor: | 3'-phosphoadenosine 5'-phosphate phosphatase, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Fisher, A.J, Erickson, A.I. | | Deposit date: | 2015-09-02 | | Release date: | 2015-11-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.501 Å) | | Cite: | Crystal Structures of Mycobacterium tuberculosis CysQ, with Substrate and Products Bound.
Biochemistry, 54, 2015
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5DJG
 | | Structure of M. tuberculosis CysQ, a PAP phosphatase with PAP, Mg, and Li bound | | Descriptor: | 3'-phosphoadenosine 5'-phosphate phosphatase, ADENOSINE-3'-5'-DIPHOSPHATE, LITHIUM ION, ... | | Authors: | Fisher, A.J, Erickson, A.I. | | Deposit date: | 2015-09-02 | | Release date: | 2015-11-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.951 Å) | | Cite: | Crystal Structures of Mycobacterium tuberculosis CysQ, with Substrate and Products Bound.
Biochemistry, 54, 2015
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5DJH
 | | Structure of M. tuberculosis CysQ, a PAP phosphatase with AMP, PO4, and 3Mg bound | | Descriptor: | 3'-phosphoadenosine 5'-phosphate phosphatase, ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Fisher, A.J, Erickson, A.I. | | Deposit date: | 2015-09-02 | | Release date: | 2015-11-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.451 Å) | | Cite: | Crystal Structures of Mycobacterium tuberculosis CysQ, with Substrate and Products Bound.
Biochemistry, 54, 2015
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6ESY
 | | Human butyrylcholinesterase in complex with thioflavine T | | Descriptor: | 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Nachon, F, Brazzolotto, X, Wandhammer, M, Trovaslet-Leroy, M, Macdonald, I.R, Darvesh, S, Rosenberry, T.L. | | Deposit date: | 2017-10-24 | | Release date: | 2017-12-13 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Comparison of the Binding of Reversible Inhibitors to Human Butyrylcholinesterase and Acetylcholinesterase: A Crystallographic, Kinetic and Calorimetric Study.
Molecules, 22, 2017
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6F9M
 | | The LIPY/F-motif in an intracellular subtilisin protease is involved in inhibition | | Descriptor: | ACETATE ION, SODIUM ION, Serine protease, ... | | Authors: | Bjerga, G.E.K, Larsen, O, Arsin, H, Williamson, A.K, Garcia-Moyano, A, Leiros, I, Puntervoll, P. | | Deposit date: | 2017-12-14 | | Release date: | 2018-06-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.298 Å) | | Cite: | Mutational analysis of the pro-peptide of a marine intracellular subtilisin protease supports its role in inhibition.
Proteins, 86, 2018
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6TTY
 | | Structure of ClpP from Staphylococcus aureus (apo, closed state) | | Descriptor: | ATP-dependent Clp protease proteolytic subunit | | Authors: | Malik, I.T, Pereira, R, Vielberg, M.-T, Mayer, C, Straetener, J, Thomy, D, Famulla, K, Castro, H.C, Sass, P, Groll, M, Broetz-Oesterheldt, H. | | Deposit date: | 2019-12-30 | | Release date: | 2020-03-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Functional Characterisation of ClpP Mutations Conferring Resistance to Acyldepsipeptide Antibiotics in Firmicutes.
Chembiochem, 21, 2020
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6EUA
 | | The fibrinogen-like domain of human Angptl3 | | Descriptor: | Angiopoietin-related protein 3 | | Authors: | Biterova, E.I, Esmaeeli, M.E, Alanen, H.I, Saaranen, M, Ruddock, L.W. | | Deposit date: | 2017-10-30 | | Release date: | 2018-05-09 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.095 Å) | | Cite: | Structures of Angptl3 and Angptl4, modulators of triglyceride levels and coronary artery disease.
Sci Rep, 8, 2018
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4CRA
 | | Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design | | Descriptor: | COAGULATION FACTOR XI, GLYCEROL, N-[(1S)-2-[(2-amino-5-quinolyl)methylamino]-1-benzyl-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide, ... | | Authors: | Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A. | | Deposit date: | 2014-02-26 | | Release date: | 2015-02-11 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
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6F5P
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4V3A
 | | Membrane bound pleurotolysin prepore (TMH1 lock) trapped with engineered disulphide cross-link | | Descriptor: | PLEUROTOLYSIN A, PLEUROTOLYSIN B | | Authors: | Lukoyanova, N, Kondos, S.C, Farabella, I, Law, R.H.P, Reboul, C.F, CaradocDavies, T.T, Spicer, B.A, Kleifeld, O, Perugini, M, Ekkel, S, Hatfaludi, T, Oliver, K, Hotze, E.M, Tweten, R.K, Whisstock, J.C, Topf, M, Dunstone, M.A, Saibil, H.R. | | Deposit date: | 2014-10-17 | | Release date: | 2015-02-18 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (15 Å) | | Cite: | Conformational Changes During Pore Formation by the Perforin-Related Protein Pleurotolysin.
Plos Biol., 13, 2015
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4V3M
 | | Membrane bound pleurotolysin prepore (TMH2 helix lock) trapped with engineered disulphide cross-link | | Descriptor: | PLEUROTOLYSIN A, PLEUROTOLYSIN B | | Authors: | Lukoyanova, N, Kondos, S.C, Farabella, I, Law, R.H.P, Reboul, C.F, Caradoc-Davies, T.T, Spicer, B.A, Kleifeld, O, Perugini, M, Ekkel, S, Hatfaludi, T, Oliver, K, Hotze, E.M, Tweten, R.K, Whisstock, J.C, Topf, M, Dunstone, M.A, Saibil, H.R. | | Deposit date: | 2014-10-20 | | Release date: | 2015-02-18 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (17 Å) | | Cite: | Conformational Changes During Pore Formation by the Perforin-Related Protein Pleurotolysin.
Plos Biol., 13, 2015
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4V3N
 | | Membrane bound pleurotolysin prepore (TMH2 strand lock) trapped with engineered disulphide cross-link | | Descriptor: | PLEUROTOLYSIN A, PLEUROTOLYSIN B | | Authors: | Lukoyanova, N, Kondos, S.C, Farabella, I, Law, R.H.P, Reboul, C.F, Caradoc-Davies, T.T, Spicer, B.A, Kleifeld, O, Perugini, M, Ekkel, S, Hatfaludi, T, Oliver, K, Hotze, E.M, Tweten, R.K, Whisstock, J.C, Topf, M, Dunstone, M.A, Saibil, H.R. | | Deposit date: | 2014-10-20 | | Release date: | 2015-02-18 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (14 Å) | | Cite: | Conformational Changes During Pore Formation by the Perforin-Related Protein Pleurotolysin.
Plos Biol., 13, 2015
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1KGD
 | | Crystal Structure of the Guanylate Kinase-like Domain of Human CASK | | Descriptor: | FORMIC ACID, PERIPHERAL PLASMA MEMBRANE CASK | | Authors: | Li, Y, Spangenberg, O, Paarmann, I, Konrad, M, Lavie, A. | | Deposit date: | 2001-11-26 | | Release date: | 2001-12-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.314 Å) | | Cite: | Structural basis for nucleotide-dependent regulation of membrane-associated guanylate kinase-like domains.
J.Biol.Chem., 277, 2002
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8ZHU
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8ZHV
 | | Structure of 3-amino-3-carboxyltransferase in complex with SAH and nocardicin G in the biosynthesis of nocardicins | | Descriptor: | 5'-thioadenosine, Isonocardicin synthase, Nocardicin G, ... | | Authors: | Gao, Y, Mori, T, Awakawa, T, Abe, I. | | Deposit date: | 2024-05-11 | | Release date: | 2025-05-14 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Structure of 3-amino-3-carboxyltransferase in complex with SAH and nocardicin G in the biosynthesis of nocardicins
To Be Published
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2VEK
 | | Structure-based enzyme engineering efforts with an inactive monomeric TIM variant: the importance of a single point mutation for generating an active site with suitable binding properties | | Descriptor: | 3-(BUTYLSULPHONYL)-PROPANOIC ACID, CITRIC ACID, TERTIARY-BUTYL ALCOHOL, ... | | Authors: | Alahuhta, M, Salin, M, Casteleijn, M.G, Kemmer, C, El-Sayed, I, Augustyns, K, Neubauer, P, Wierenga, R.K. | | Deposit date: | 2007-10-24 | | Release date: | 2008-02-19 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure-Based Protein Engineering Efforts with a Monomeric Tim Variant: The Importance of a Single Point Mutation for Generating an Active Site with Suitable Binding Properties.
Protein Eng.Des.Sel., 21, 2008
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