4BIW
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![BU of 4biw by Molmil](/molmil-images/mine/4biw) | Crystal structure of CpxAHDC (hexagonal form) | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SENSOR PROTEIN CPXA, ... | Authors: | Mechaly, A.E, Sassoon, N, Betton, J.M, Alzari, P.M. | Deposit date: | 2013-04-13 | Release date: | 2014-02-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Segmental Helical Motions and Dynamical Asymmetry Modulate Histidine Kinase Autophosphorylation. Plos Biol., 12, 2014
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4BIV
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![BU of 4biv by Molmil](/molmil-images/mine/4biv) | Crystal structure of CpxAHDC (trigonal form) | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, SENSOR PROTEIN CPXA | Authors: | Mechaly, A.E, Sassoon, N, Betton, J.M, Alzari, P.M. | Deposit date: | 2013-04-13 | Release date: | 2014-02-12 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Segmental Helical Motions and Dynamical Asymmetry Modulate Histidine Kinase Autophosphorylation. Plos Biol., 12, 2014
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7SZ3
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![BU of 7sz3 by Molmil](/molmil-images/mine/7sz3) | Mouse PARP13/ZAP ZnF5-WWE1-WWE2 bound to ADPr | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, GLYCEROL, PHOSPHATE ION, ... | Authors: | Ayanath Kuttiyatveetil, J.R, Pascal, J.M. | Deposit date: | 2021-11-25 | Release date: | 2022-10-05 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures and functional analysis of the ZnF5-WWE1-WWE2 region of PARP13/ZAP define a distinctive mode of engaging poly(ADP-ribose). Cell Rep, 41, 2022
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4BIY
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![BU of 4biy by Molmil](/molmil-images/mine/4biy) | Crystal structure of CpxAHDC (monoclinic form 2) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, SENSOR PROTEIN CPXA, SULFATE ION | Authors: | Mechaly, A.E, Sassoon, N, Betton, J.M, Alzari, P.M. | Deposit date: | 2013-04-13 | Release date: | 2014-02-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Segmental Helical Motions and Dynamical Asymmetry Modulate Histidine Kinase Autophosphorylation. Plos Biol., 12, 2014
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2HEP
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![BU of 2hep by Molmil](/molmil-images/mine/2hep) | Solution NMR structure of the UPF0291 protein ynzC from Bacillus subtilis. Northeast Structural Genomics target SR384. | Descriptor: | UPF0291 protein ynzC | Authors: | Aramini, J.M, Swapna, G.V.T, Ho, C.K, Shetty, K, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M, Acton, T.B, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2006-06-21 | Release date: | 2006-08-15 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution NMR structure of the SOS response protein YnzC from Bacillus subtilis Proteins, 72, 2008
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4BLP
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![BU of 4blp by Molmil](/molmil-images/mine/4blp) | P4 PROTEIN FROM BACTERIOPHAGE PHI13 | Descriptor: | CITRATE ANION, GLYCEROL, PACKAGING ENZYME P4 | Authors: | El Omari, K, Meier, C, Kainov, D, Sutton, G, Grimes, J.M, Poranen, M.M, Bamford, D.H, Tuma, R, Stuart, D.I, Mancini, E.J. | Deposit date: | 2013-05-04 | Release date: | 2013-08-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Tracking in Atomic Detail the Functional Specializations in Viral Reca Helicases that Occur During Evolution. Nucleic Acids Res., 41, 2013
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4AZE
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![BU of 4aze by Molmil](/molmil-images/mine/4aze) | Human DYRK1A in complex with Leucettine L41 | Descriptor: | 5-(1,3-benzodioxol-5-ylmethyl)-2-(phenylamino)-4H-imidazol-4-one, DUAL SPECIFICITY TYROSINE-PHOSPHORYLATION-REGULATED KINASE 1A | Authors: | Elkins, J.M, Soundararajan, M, Muniz, J.R.C, Tahtouh, T, Burgy, G, Durieu, E, Lozach, O, Cochet, C, Schmid, R.S, Lo, D.C, Delhommel, F, Carreaux, F, Bazureau, J.P, Meijer, L, Edwards, A, Bountra, C, Knapp, S. | Deposit date: | 2012-06-25 | Release date: | 2012-09-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Selectivity, Co-Crystal Structures and Neuroprotective Properties of Leucettines, a Family of Protein Kinase Inhibitors Derived from the Marine Sponge Alkaloid Leucettamine B. J.Med.Chem., 55, 2012
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2HBQ
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2GMR
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![BU of 2gmr by Molmil](/molmil-images/mine/2gmr) | Photosynthetic reaction center mutant from Rhodobacter sphaeroides with Asp L210 replaced with Asn | Descriptor: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (II) ION, ... | Authors: | Stachnik, J.M, Hermes, S, Gerwert, K, Hofmann, E. | Deposit date: | 2006-04-07 | Release date: | 2006-11-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Proton uptake in the reaction center mutant L210DN from Rhodobacter sphaeroides via protonated water molecules. Biochemistry, 45, 2006
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4AW0
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![BU of 4aw0 by Molmil](/molmil-images/mine/4aw0) | Human PDK1 Kinase Domain in Complex with Allosteric Compound PS182 Bound to the PIF-Pocket | Descriptor: | 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1, ADENOSINE-5'-TRIPHOSPHATE, DIMETHYL SULFOXIDE, ... | Authors: | Schulze, J.O, Busschots, K, Lopez-Garcia, L.A, Lammi, C, Stroba, A, Zeuzem, S, Piiper, A, Alzari, P.M, Neimanis, S, Arencibia, J.M, Engel, M, Biondi, R.M. | Deposit date: | 2012-05-30 | Release date: | 2012-10-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Substrate-Selective Inhibition of Protein Kinase Pdk1 by Small Compounds that Bind to the Pif-Pocket Allosteric Docking Site. Chem.Biol., 19, 2012
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4AZF
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![BU of 4azf by Molmil](/molmil-images/mine/4azf) | Human DYRK2 in complex with Leucettine L41 | Descriptor: | 1,2-ETHANEDIOL, 5-(1,3-benzodioxol-5-ylmethyl)-2-(phenylamino)-4H-imidazol-4-one, DYRK2 DUAL-SPECIFICITY TYROSINE-PHOSPHORYLATION REGULATED KINASE 2, ... | Authors: | Elkins, J.M, Soundararajan, M, Muniz, J.R.C, Tahtouh, T, Burgy, G, Durieu, E, Lozach, O, Cochet, C, Schmid, R.S, Lo, D.C, Delhommel, F, Carreaux, F, Bazureau, J.P, Meijer, L, Edwards, A, Bountra, C, Knapp, S. | Deposit date: | 2012-06-25 | Release date: | 2012-09-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Selectivity, Co-Crystal Structures and Neuroprotective Properties of Leucettines, a Family of Protein Kinase Inhibitors Derived from the Marine Sponge Alkaloid Leucettamine B. J.Med.Chem., 55, 2012
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4AW2
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![BU of 4aw2 by Molmil](/molmil-images/mine/4aw2) | Crystal structure of CDC42 binding protein kinase alpha (MRCK alpha) | Descriptor: | 1,2-ETHANEDIOL, 5,11-dimethyl-1-oxo-2,6-dihydro-1h-pyrido[4,3-b]carbazol-9-yl benzoate, SERINE/THREONINE-PROTEIN KINASE MRCK ALPHA | Authors: | Elkins, J.M, Muniz, J.R.C, Tan, I, Leung, T, Lafanechere, L, Prudent, R, Abdul Azeez, K, Szklarz, M, Phillips, C, Wang, J, von Delft, F, Bountra, C, Edwards, A, Knapp, S. | Deposit date: | 2012-05-30 | Release date: | 2012-06-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Cdc42 Binding Protein Kinase Alpha (Mrck Alpha) To be Published
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4B02
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![BU of 4b02 by Molmil](/molmil-images/mine/4b02) | The C-terminal Priming Domain is Strongly Associated with the Main Body of Bacteriophage phi6 RNA-Dependent RNA Polymerase | Descriptor: | MANGANESE (II) ION, RNA-DIRECTED RNA POLYMERASE | Authors: | Sarin, L.P, Wright, S, Chen, Q, Degerth, L.H, Stuart, D.I, Grimes, J.M, Bamford, D.H, Poranen, M.M. | Deposit date: | 2012-06-27 | Release date: | 2012-08-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | The C-Terminal Priming Domain is Strongly Associated with the Main Body of Bacteriophage Phi6 RNA-Dependent RNA Polymerase. Virology, 432, 2012
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2GU8
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2GZV
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![BU of 2gzv by Molmil](/molmil-images/mine/2gzv) | The cystal structure of the PDZ domain of human PICK1 | Descriptor: | PRKCA-binding protein | Authors: | Debreczeni, J.E, Elkins, J.M, Yang, X, Berridge, G, Bray, J, Colebrook, S, Smee, C, Savitsky, P, Gileadi, O, Turnbull, A, von Delft, F, Doyle, D.A, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, Structural Genomics Consortium (SGC) | Deposit date: | 2006-05-12 | Release date: | 2006-07-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Structure of PICK1 and other PDZ domains obtained with the help of self-binding C-terminal extensions. Protein Sci., 16, 2007
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2H71
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4CNP
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![BU of 4cnp by Molmil](/molmil-images/mine/4cnp) | Structure of the Salmonella typhi type I dehydroquinase inhibited by a 3-epiquinic acid derivative | Descriptor: | (2S)-2-HYDROXY-3-EPIQUINIC ACID, 3-DEHYDROQUINATE DEHYDRATASE, CHLORIDE ION, ... | Authors: | Otero, J.M, Llamas-Saiz, A.L, Maneiro, M, Peon, A, Lence, E, Lamb, H, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | Deposit date: | 2014-01-23 | Release date: | 2015-02-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Mechanistic Insight Into the Reaction Catalyzed by Type I Dehydroquinase To be Published
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2H4Y
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4CSA
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![BU of 4csa by Molmil](/molmil-images/mine/4csa) | Crystal structure of the asymmetric human metapneumovirus M2-1 tetramer bound to a DNA 4-mer | Descriptor: | 5'-D(*AP*GP*TP*TP*AP)-3', GLYCEROL, M2-1, ... | Authors: | Leyrat, C, Renner, M, Harlos, K, Grimes, J.M. | Deposit date: | 2014-03-05 | Release date: | 2014-05-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Drastic Changes in Conformational Dynamics of the Antiterminator M2-1 Regulate Transcription Efficiency in Pneumovirinae. Elife, 3, 2014
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2H51
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4CXA
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![BU of 4cxa by Molmil](/molmil-images/mine/4cxa) | Crystal structure of the human CDK12-cyclin K complex bound to AMPPNP | Descriptor: | CYCLIN-DEPENDENT KINASE 12, CYCLIN-K, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Dixon Clarke, S.E, Elkins, J.M, Pike, A.C.W, Nowak, R, Goubin, S, Mahajan, R.P, Kopec, J, Froese, S, Tallant, C, Carpenter, E.P, Mackenzie, A, Faust, B, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A.M, Bountra, C, Bullock, A. | Deposit date: | 2014-04-04 | Release date: | 2014-05-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Structures of the Cdk12/Cyck Complex with AMP-Pnp Reveal a Flexible C-Terminal Kinase Extension Important for ATP Binding. Sci.Rep., 5, 2015
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2H48
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![BU of 2h48 by Molmil](/molmil-images/mine/2h48) | Crystal structure of human caspase-1 (Cys362->Ala, Cys364->Ala, Cys397->Ala) in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK) | Descriptor: | Caspase 1, isoform gamma, N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide | Authors: | Scheer, J.M, Wells, J.A, Romanowski, M.J. | Deposit date: | 2006-05-23 | Release date: | 2006-06-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A common allosteric site and mechanism in caspases Proc.Natl.Acad.Sci.USA, 103, 2006
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4D11
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![BU of 4d11 by Molmil](/molmil-images/mine/4d11) | GalNAc-T2 crystal soaked with UDP-5SGalNAc, mEA2 peptide and manganese (Lower resolution dataset) | Descriptor: | 2-acetamido-2-deoxy-5-thio-alpha-D-galactopyranose, MANGANESE (II) ION, PEPTIDE, ... | Authors: | Lira-Navarrete, E, Iglesias-Fernandez, J, Zandberg, W.F, Companon, I, Kong, Y, Corzana, F, Pinto, B.M, Clausen, H, Peregrina, J.M, Vocadlo, D, Rovira, C, Hurtado-Guerrero, R. | Deposit date: | 2014-05-01 | Release date: | 2014-05-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Substrate-Guided Front-Face Reaction Revealed by Combined Structural Snapshots and Metadynamics for the Polypeptide N- Acetylgalactosaminyltransferase 2. Angew.Chem.Int.Ed.Engl., 53, 2014
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2H54
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2H72
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![BU of 2h72 by Molmil](/molmil-images/mine/2h72) | |