6Z2V
 
 | | CLK3 A319V mutant bound with beta-carboline KH-CARB13 (Cpd 3) | | Descriptor: | (4~{S})-7,8-bis(chloranyl)-9-methyl-1-oxidanylidene-spiro[2,4-dihydropyrido[3,4-b]indole-3,4'-piperidine]-4-carbonitrile, 1,2-ETHANEDIOL, Dual specificity protein kinase CLK3, ... | | Authors: | Schroeder, M, Chaikuad, A, Bracher, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-05-18 | | Release date: | 2020-07-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity.
J.Med.Chem., 63, 2020
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6ZD5
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6ZDA
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6ZH9
 | | Ternary complex CR3022 H11-H4 and RBD (SARS-CoV-2) | | Descriptor: | CR3022 Light chain, CR3022 heavy, Nanobody H11-H4, ... | | Authors: | Naismith, J.H, Mikolajek, H, Le Bas, A. | | Deposit date: | 2020-06-21 | | Release date: | 2020-09-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.31 Å) | | Cite: | Neutralizing nanobodies bind SARS-CoV-2 spike RBD and block interaction with ACE2.
Nat.Struct.Mol.Biol., 27, 2020
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6ZLA
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6ZFX
 | | hSARM1 GraFix-ed | | Descriptor: | (~{E})-4-methylnon-4-enedial, NAD(+) hydrolase SARM1 | | Authors: | Sporny, M, Guez-Haddad, J, Khazma, T, Yaron, A, Dessau, M, Mim, C, Isupov, M.N, Zalk, R, Hons, M, Opatowsky, Y. | | Deposit date: | 2020-06-18 | | Release date: | 2020-11-18 | | Last modified: | 2022-11-09 | | Method: | ELECTRON MICROSCOPY (2.88 Å) | | Cite: | Structural basis for SARM1 inhibition and activation under energetic stress.
Elife, 9, 2020
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6ZIW
 | | The IRAK3 Pseudokinase Domain Bound To ATPgammaS | | Descriptor: | Interleukin-1 receptor-associated kinase 3, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, SULFATE ION | | Authors: | Mathea, S, Chatterjee, D, Preuss, F, Kraemer, A, Knapp, S. | | Deposit date: | 2020-06-26 | | Release date: | 2020-07-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | The IRAK3 Pseudokinase Domain Bound To ATPgammaS
To Be Published
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6ZD8
 | | Crystal structure of YTHDC1 T379V mutant | | Descriptor: | SULFATE ION, YTHDC1 | | Authors: | Bedi, R.K, Li, Y, Caflisch, A. | | Deposit date: | 2020-06-14 | | Release date: | 2021-01-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Atomistic and Thermodynamic Analysis of N6-Methyladenosine (m 6 A) Recognition by the Reader Domain of YTHDC1.
J Chem Theory Comput, 17, 2021
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4UQX
 | | Coevolution of the ATPase ClpV, the TssB-TssC Sheath and the Accessory HsiE Protein Distinguishes Two Type VI Secretion Classes | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, HSIE1 | | Authors: | Forster, A, Planamente, S, Manoli, E, Lossi, N.S, Freemont, P.S, Filloux, A. | | Deposit date: | 2014-06-25 | | Release date: | 2014-10-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Coevolution of the ATPase Clpv, the Sheath Proteins Tssb and Tssc and the Accessory Protein Tagj/Hsie1 Distinguishes Type Vi Secretion Classes.
J.Biol.Chem., 289, 2014
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4UTS
 | | Room temperature crystal structure of the fast switching M159T mutant of fluorescent protein Dronpa | | Descriptor: | FLUORESCENT PROTEIN DRONPA | | Authors: | Kaucikas, M, Fitzpatrick, A, Bryan, E, Struve, A, Henning, R, Kosheleva, I, Srajer, V, van Thor, J.J. | | Deposit date: | 2014-07-22 | | Release date: | 2015-06-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Room Temperature Crystal Structure of the Fast Switching M159T Mutant of the Fluorescent Protein Dronpa.
Proteins, 83, 2015
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4V47
 | | Real space refined coordinates of the 30S and 50S subunits fitted into the low resolution cryo-EM map of the EF-G.GTP state of E. coli 70S ribosome | | Descriptor: | 16S RIBOSOMAL RNA, 23S ribosomal RNA, 30S RIBOSOMAL PROTEIN S10, ... | | Authors: | Gao, H, Sengupta, J, Valle, M, Korostelev, A, Eswar, N, Stagg, S.M, Van Roey, P, Agrawal, R.K, Harvey, S.T, Sali, A, Chapman, M.S, Frank, J. | | Deposit date: | 2003-05-06 | | Release date: | 2014-07-09 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (12.3 Å) | | Cite: | Study of the structural dynamics of the E. coli 70S ribosome using real space refinement
Cell(Cambridge,Mass.), 113, 2003
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2W1M
 | | THE INTERDEPENDENCE OF WAVELENGTH, REDUNDANCY AND DOSE IN SULFUR SAD EXPERIMENTS: 2.070 A WAVELENGTH with 2theta 30 degrees data | | Descriptor: | CHLORIDE ION, LYSOZYME C, SODIUM ION | | Authors: | Cianci, M, Helliwell, J.R, Suzuki, A. | | Deposit date: | 2008-10-17 | | Release date: | 2008-11-04 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | The Interdependence of Wavelength, Redundancy and Dose in Sulfur Sad Experiments.
Acta Crystallogr.,Sect.D, 64, 2008
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4USS
 | | Populus trichocarpa glutathione transferase X1-1 (GHR1), complexed with glutathione | | Descriptor: | GLUTATHIONE, GLUTATHIONYL HYDROQUINONE REDUCTASE, PHOSPHATE ION | | Authors: | Lallement, P.A, Meux, E, Gualberto, J.M, Dumaracay, S, Favier, F, Didierjean, C, Saul, F, Haouz, A, Morel-Rouhier, M, Gelhaye, E, Rouhier, N, Hecker, A. | | Deposit date: | 2014-07-13 | | Release date: | 2014-12-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Glutathionyl-Hydroquinone Reductases from Poplar are Plastidial Proteins that Deglutathionylate Both Reduced and Oxidized Glutathionylated Quinones.
FEBS Lett., 589, 2015
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2VRX
 | | Structure of Aurora B kinase in complex with ZM447439 | | Descriptor: | INNER CENTROMERE PROTEIN A, N-(4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino}phenyl)benzamide, SERINE/THREONINE-PROTEIN KINASE 12-A | | Authors: | Girdler, F, Sessa, F, Patercoli, S, Villa, F, Ridgway, E, Musacchio, A, Taylor, S.S. | | Deposit date: | 2008-04-16 | | Release date: | 2008-07-01 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Molecular Basis of Drug Resistance in Aurora Kinases.
Chem.Biol., 15, 2008
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2W1Y
 | | THE INTERDEPENDENCE OF WAVELENGTH, REDUNDANCY AND DOSE IN SULFUR SAD EXPERIMENTS: 1.540 A wavelength 180 images data | | Descriptor: | CHLORIDE ION, LYSOZYME C, SODIUM ION | | Authors: | Cianci, M, Helliwell, J.R, Suzuki, A. | | Deposit date: | 2008-10-21 | | Release date: | 2008-11-25 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | The Interdependence of Wavelength, Redundancy and Dose in Sulfur Sad Experiments.
Acta Crystallogr.,Sect.D, 64, 2008
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2VOW
 | | An oxidized tryptophan facilitates copper-binding in Methylococcus capsulatus secreted protein MopE. The structure of recombinant MopE to 1.65AA | | Descriptor: | CALCIUM ION, GLYCEROL, SURFACE-ASSOCIATED PROTEIN | | Authors: | Helland, R, Fjellbirkeland, A, Karlsen, O.A, Ve, T, Lillehaug, J.R, Jensen, H.B. | | Deposit date: | 2008-02-22 | | Release date: | 2008-03-18 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | An Oxidized Tryptophan Facilitates Copper Binding in Methylococcus Capsulatus-Secreted Protein Mope.
J.Biol.Chem., 283, 2008
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2VNW
 | | Structure of PKA-PKB chimera complexed with (1-(9H-Purin-6-yl) piperidin-4-yl)methanamine | | Descriptor: | 1-[1-(9H-purin-6-yl)piperidin-4-yl]methanamine, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | | Authors: | Caldwell, J.J, Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Aherne, G.W, Hunter, L.K, Taylor, K, Ruddle, R, Raynaud, F.I, Verdonk, M, Workman, P, Garrett, M.D, Collins, I. | | Deposit date: | 2008-02-08 | | Release date: | 2008-04-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Identification of 4-(4-Aminopiperidin-1-Yl)-7H-Pyrrolo[2,3-D]Pyrimidines as Selective Inhibitors of Protein Kinase B Through Fragment Elaboration.
J.Med.Chem., 51, 2008
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2VUJ
 | | Environmentally isolated GH11 xylanase | | Descriptor: | GH11 XYLANASE, GLYCEROL | | Authors: | Dumon, C, Varvak, A, Wall, M.A, Flint, J.E, Lewis, R.J, Lakey, J.H, Luginbuhl, P, Healey, S, Todaro, T, DeSantis, G, Sun, M, Parra-Gessert, L, Tan, X, Weiner, D.P, Gilbert, H.J. | | Deposit date: | 2008-05-26 | | Release date: | 2008-06-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Engineering Hyperthermostability Into a Gh11 Xylanase is Mediated by Subtle Changes to Protein Structure.
J.Biol.Chem., 283, 2008
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2VYZ
 | | Mutant Ala55Phe of Cerebratulus lacteus mini-hemoglobin | | Descriptor: | ACETATE ION, GLYCEROL, NEURAL HEMOGLOBIN, ... | | Authors: | Salter, M.D, Nienhaus, K, Nienhaus, G.U, Dewilde, S, Moens, L, Pesce, A, Nardini, M, Bolognesi, M, Olson, J.S. | | Deposit date: | 2008-07-29 | | Release date: | 2008-10-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Apolar Channel in Cerebratulus Lacteus Hemoglobin is the Route for O2 Entry and Exit.
J.Biol.Chem., 283, 2008
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2VO3
 | | Structure of PKA-PKB chimera complexed with C-(4-(4-Chlorophenyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-yl)methylamine | | Descriptor: | 1-[4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | | Authors: | Caldwell, J.J, Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Aherne, G.W, Hunter, L.K, Taylor, K, Ruddle, R, Raynaud, F.I, Verdonk, M, Workman, P, Garrett, M.D, Collins, I. | | Deposit date: | 2008-02-08 | | Release date: | 2008-04-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Identification of 4-(4-Aminopiperidin-1-Yl)-7H-Pyrrolo[2,3-D]Pyrimidines as Selective Inhibitors of Protein Kinase B Through Fragment Elaboration.
J.Med.Chem., 51, 2008
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6T21
 | | N-terminal domain of EcoKMcrA restriction endonuclease (NEco) in complex with T5mCGA target sequence | | Descriptor: | 5-methylcytosine-specific restriction enzyme A, DNA (5'-D(*GP*AP*AP*TP*(5CM)P*GP*AP*TP*GP*A)-3'), DNA (5'-D(*TP*CP*AP*TP*(5CM)P*GP*AP*TP*TP*C)-3') | | Authors: | Slyvka, A, Zagorskaite, E, Czapinska, H, Sasnauskas, G, Bochtler, M. | | Deposit date: | 2019-10-07 | | Release date: | 2019-10-23 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Crystal structure of the EcoKMcrA N-terminal domain (NEco): recognition of modified cytosine bases without flipping.
Nucleic Acids Res., 47, 2019
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2VUD
 | | PA-IIL lectin from pseudomonas aeruginosa complexed with fucose- derived glycomimetics | | Descriptor: | CALCIUM ION, FUCOSE-BINDING LECTIN PA-IIL, SULFATE ION, ... | | Authors: | Beha, S, Marotte, K, Sabin, C, Mitchell, E.P, Imberty, A, Roy, R. | | Deposit date: | 2008-05-22 | | Release date: | 2009-07-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Fucose-Derived Glycomimetics as High Affinity Ligands for Bacterial Lectin Pa-Iil from Pseudomonas Aeruginosa
To be Published
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2VS7
 | | The crystal structure of I-DmoI in complex with DNA and Ca | | Descriptor: | 5'-D(*CP*GP*CP*GP*CP*CP*GP*GP*AP*AP *CP*TP*TP*AP*CP*CP*CP*GP*GP*CP*AP*AP*GP*GP*C)-3', 5'-D(*GP*CP*CP*TP*TP*GP*CP*CP*GP*GP *GP*TP*AP*AP*GP*TP*TP*CP*CP*GP*GP*CP*GP*CP*G)-3', ACETATE ION, ... | | Authors: | Marcaida, M.J, Prieto, J, Redondo, P, Nadra, A.D, Alibes, A, Serrano, L, Grizot, S, Duchateau, P, Paques, F, Blanco, F.J, Montoya, G. | | Deposit date: | 2008-04-21 | | Release date: | 2008-11-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal Structure of I-Dmoi in Complex with its Target DNA Provides New Insights Into Meganuclease Engineering.
Proc.Natl.Acad.Sci.USA, 105, 2008
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4W9P
 | | The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1S)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one | | Descriptor: | (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1S)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one, ACETATE ION, Peptidyl-prolyl cis-trans isomerase FKBP5 | | Authors: | Pomplun, S, Wang, Y, Kirschner, K, Kozany, C, Bracher, A, Hausch, F. | | Deposit date: | 2014-08-27 | | Release date: | 2014-12-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Rational Design and Asymmetric Synthesis of Potent and Neurotrophic Ligands for FK506-Binding Proteins (FKBPs).
Angew.Chem.Int.Ed.Engl., 54, 2015
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2VWR
 | | Crystal structure of the second pdz domain of numb-binding protein 2 | | Descriptor: | LIGAND OF NUMB PROTEIN X 2 | | Authors: | Roos, A.K, Guo, K, Burgess-Brown, N, Yue, W.W, Elkins, J.M, Pike, A.C.W, Filippakopoulos, P, Arrowsmith, C.H, Wikstom, M, Edwards, A, von Delft, F, Bountra, C, Doyle, D, Oppermann, U. | | Deposit date: | 2008-06-26 | | Release date: | 2008-09-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Crystal Structure of the Second Pdz Domain of the Human Numb-Binding Protein 2
To be Published
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