3ODP
 
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2OUZ
 | | Crystal Structure of Estrogen Receptor alpha-lasofoxifene complex | | Descriptor: | (5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN-2-OL, Estrogen receptor | | Authors: | Vajdos, F.F, Pandit, J. | | Deposit date: | 2007-02-12 | | Release date: | 2007-05-08 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The 2.0 A crystal structure of the ER{alpha} ligand-binding domain complexed with lasofoxifene
Protein Sci., 16, 2007
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7YPY
 | | Bovine heart cytochrome c oxidase in fully oxidized state at 1.5 angstrom resolution | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | | Authors: | Shimada, A, Tsukihara, T. | | Deposit date: | 2022-08-05 | | Release date: | 2022-09-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The Mg2+-containing water cluster of mammalian cytochrome c oxidase collects four pumping proton equivalents in each catalytic cycle.
J. Biol. Chem., 291, 2016
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2OU8
 | | Structure of Spin-labeled T4 Lysozyme Mutant T115R1 at Room Temperature | | Descriptor: | BETA-MERCAPTOETHANOL, Lysozyme, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate | | Authors: | Guo, Z, Cascio, D, Hideg, K, Hubbell, W.L. | | Deposit date: | 2007-02-09 | | Release date: | 2007-06-12 | | Last modified: | 2023-08-30 | | Method: | EPR (1.8 Å), X-RAY DIFFRACTION | | Cite: | Structural determinants of nitroxide motion in spin-labeled proteins: Tertiary contact and solvent-inaccessible sites in helix G of T4 lysozyme.
Protein Sci., 16, 2007
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5RHW
 | | PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z31222641 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, NS3 Helicase, ... | | Authors: | Godoy, A.S, Mesquita, N.C.M.R, Oliva, G. | | Deposit date: | 2020-05-25 | | Release date: | 2020-06-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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1QW6
 | | Rat neuronal nitric oxide synthase oxygenase domain in complex with N-omega-propyl-L-Arg. | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, N-OMEGA-PROPYL-L-ARGININE, Nitric-oxide synthase, ... | | Authors: | Fedorov, R, Hartmann, E, Ghosh, D.K, Schlichting, I. | | Deposit date: | 2003-09-01 | | Release date: | 2003-12-09 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis for the specificity of the nitric-oxide synthase inhibitors W1400 and Nomega-propyl-L-Arg for the inducible and neuronal isoforms.
J.Biol.Chem., 278, 2003
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5RWC
 | | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z2856434879 | | Descriptor: | 2-[(4-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline, DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1 | | Authors: | Bradshaw, W.J, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O. | | Deposit date: | 2020-10-30 | | Release date: | 2020-11-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
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3QT4
 | | Structure of digestive procathepsin L 3 of Tenebrio molitor larval midgut | | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, Cathepsin-L-like midgut cysteine proteinase, PHOSPHATE ION, ... | | Authors: | Beton, D, Guzzo, C.R, Terra, W.R, Farah, C.S. | | Deposit date: | 2011-02-22 | | Release date: | 2012-02-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | The 3D structure and function of digestive cathepsin L-like proteinases of Tenebrio molitor larval midgut.
Insect Biochem.Mol.Biol., 42, 2012
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1QWC
 | | Rat neuronal nitric oxide synthase oxygenase domain in complex with W1400 inhibitor. | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE, Nitric-oxide synthase, ... | | Authors: | Fedorov, R, Hartmann, E, Ghosh, D.K, Schlichting, I. | | Deposit date: | 2003-09-02 | | Release date: | 2003-12-09 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis for the specificity of the nitric-oxide synthase inhibitors W1400 and Nomega-propyl-L-Arg for the inducible and neuronal isoforms.
J.Biol.Chem., 278, 2003
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1Z77
 | | Crystal structure of transcriptional regulator protein from Thermotoga maritima. | | Descriptor: | 1,2-ETHANEDIOL, transcriptional regulator (TetR family) | | Authors: | Koclega, K.D, Chruszcz, M, Zimmerman, M.D, Cymborowski, M, Kudritska, M, Minor, W, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2005-03-24 | | Release date: | 2005-05-10 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of a transcriptional regulator TM1030 from Thermotoga maritima solved by an unusual MAD experiment.
J.Struct.Biol., 159, 2007
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3OM4
 | | Crystal structure of B. megaterium levansucrase mutant K373A | | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, Levansucrase, ... | | Authors: | Strube, C.P, Homann, A, Gamer, M, Jahn, D, Seibel, J, Heinz, D.W. | | Deposit date: | 2010-08-26 | | Release date: | 2011-03-23 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structure of B. megaterium levansucrase mutant K373A
To be Published
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2P3G
 | | Crystal structure of a pyrrolopyridine inhibitor bound to MAPKAP Kinase-2 | | Descriptor: | 2-[2-(2-FLUOROPHENYL)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE, MAP kinase-activated protein kinase 2 | | Authors: | Kurumbail, R.G, Caspers, N. | | Deposit date: | 2007-03-08 | | Release date: | 2007-06-12 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Pyrrolopyridine Inhibitors of Mitogen-Activated Protein Kinase-Activated Protein Kinase 2 (MK-2).
J.Med.Chem., 50, 2007
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3ORV
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3SCE
 | | Structure of the Thioalkalivibrio nitratireducens cytochrome c nitrite reductase with a covalent bond between the CE1 atom of Tyr303 and the CG atom of Gln360 (TvNiRb) | | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, CALCIUM ION, Eight-heme nitrite reductase, ... | | Authors: | Trofimov, A.A, Polyakov, K.M, Boyko, K.M, Tikhonova, T.V, Popov, V.O. | | Deposit date: | 2011-06-07 | | Release date: | 2011-07-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Covalent modifications of the catalytic tyrosine in octahaem cytochrome c nitrite reductase and their effect on the enzyme activity.
Acta Crystallogr.,Sect.D, 68, 2012
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3OYT
 | | 1.84 Angstrom resolution crystal structure of 3-oxoacyl-(acyl carrier protein) synthase I (fabB) from Yersinia pestis CO92 | | Descriptor: | 1,2-ETHANEDIOL, 3-oxoacyl-[acyl-carrier-protein] synthase I, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Halavaty, A.S, Wawrzak, Z, Onopriyenko, O, Peterson, S, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2010-09-23 | | Release date: | 2011-01-12 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | 1.84 Angstrom resolution crystal structure of 3-oxoacyl-(acyl carrier protein) synthase I (fabB) from Yersinia pestis CO92
To be Published
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5RM0
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1492796719 | | Descriptor: | Helicase, PHOSPHATE ION, ZINC ION, ... | | Authors: | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2020-09-16 | | Release date: | 2020-09-30 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.909 Å) | | Cite: | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
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2QB5
 | | Crystal Structure of Human Inositol 1,3,4-Trisphosphate 5/6-Kinase (ITPK1) in Complex with ADP and Mn2+ | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Inositol-tetrakisphosphate 1-kinase, MANGANESE (II) ION, ... | | Authors: | Chamberlain, P.P, Lesley, S.A, Spraggon, G. | | Deposit date: | 2007-06-15 | | Release date: | 2007-07-03 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Integration of inositol phosphate signaling pathways via human ITPK1.
J.Biol.Chem., 282, 2007
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5R8E
 | | PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z57475877 in complex with INTERLEUKIN-1 BETA | | Descriptor: | Interleukin-1 beta, SULFATE ION, ~{N}-(2-ethyl-1,2,3,4-tetrazol-5-yl)butanamide | | Authors: | De Nicola, G.F, Nichols, C.E. | | Deposit date: | 2020-03-03 | | Release date: | 2020-04-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
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3CMX
 | | Mechanism of homologous recombination from the RecA-ssDNA/dsDNA structures | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA (5'-D(*DAP*DAP*DAP*DAP*DAP*DAP*DAP*DAP*DAP*DAP*DAP*DA)-3'), DNA (5'-D(*DTP*DTP*DTP*DTP*DTP*DTP*DTP*DTP*DTP*DTP*DTP*DTP*DTP*DTP*DT)-3'), ... | | Authors: | Pavletich, N.P. | | Deposit date: | 2008-03-24 | | Release date: | 2008-05-20 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Mechanism of homologous recombination from the RecA-ssDNA/dsDNA structures.
Nature, 453, 2008
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3CMW
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2QQP
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5RS7
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000034618676 | | Descriptor: | 1-{2-[(propan-2-yl)oxy]ethyl}-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-one, Non-structural protein 3 | | Authors: | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | | Deposit date: | 2020-09-28 | | Release date: | 2020-12-16 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
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3D7I
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3PET
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3D7M
 | | Crystal Structure of the G Protein Fast-Exchange Double Mutant I56C/Q333C | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(i), alpha-1 subunit, ... | | Authors: | Funk, M.A, Preininger, A.M, Oldham, W.M, Meier, S.M, Hamm, H.E, Iverson, T.M. | | Deposit date: | 2008-05-21 | | Release date: | 2009-03-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Helix dipole movement and conformational variability contribute to allosteric GDP release in Galphai subunits.
Biochemistry, 48, 2009
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