1Y1Y
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![BU of 1y1y by Molmil](/molmil-images/mine/1y1y) | RNA Polymerase II-TFIIS-DNA/RNA complex | Descriptor: | 5'-D(P*TP*AP*CP*GP*CP*CP*T)-3', 5'-R(P*AP*GP*GP*C)-3', DNA-directed RNA polymerase II 13.6 kDa polypeptide, ... | Authors: | Cramer, P, Kettenberger, H, Armache, K.-J. | Deposit date: | 2004-11-19 | Release date: | 2004-12-28 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | Complete RNA polymerase II elongation complex structure and its interactions with NTP and TFIIS. Mol.Cell, 16, 2004
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2I5P
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![BU of 2i5p by Molmil](/molmil-images/mine/2i5p) | Crystal structure of glyceraldehyde-3-phosphate dehydrogenase isoform 1 from K. marxianus | Descriptor: | BETA-MERCAPTOETHANOL, Glyceraldehyde-3-phosphate dehydrogenase 1, alpha-D-glucopyranose | Authors: | Ferreira-da-Silva, F, Pereira, P.J.B, Gales, L, Moradas-Ferreira, P, Damas, A.M. | Deposit date: | 2006-08-25 | Release date: | 2006-09-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Crystal and Solution Structures of Glyceraldehyde-3-phosphate Dehydrogenase Reveal Different Quaternary Structures. J.Biol.Chem., 281, 2006
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1UT6
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![BU of 1ut6 by Molmil](/molmil-images/mine/1ut6) | Structure of acetylcholinesterase (E.C. 3.1.1.7) complexed with N-9-(1',2',3',4'-Tetrahydroacridinyl)-1,8- diaminooctane at 2.4 angstroms resolution. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-1,8-DIAMINOOCTANE | Authors: | Brumshtein, B, Wong, D.M, Greenblatt, H.M, Carlier, P.R, Pang, Y.-P, Silman, I, Sussman, J.L. | Deposit date: | 2003-12-04 | Release date: | 2005-04-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Complexes of Alkylene-Linked Tacrine Dimers with Torpedo Californica Acetylcholinesterase: Binding of Bis(5)-Tacrine Produces a Dramatic Rearrangement in the Active-Site Gorge. J.Med.Chem., 49, 2006
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1B2X
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![BU of 1b2x by Molmil](/molmil-images/mine/1b2x) | BARNASE WILDTYPE STRUCTURE AT PH 7.5 FROM A CRYO_COOLED CRYSTAL AT 100K | Descriptor: | PROTEIN (BARNASE), ZINC ION | Authors: | Harrison, P, Vaughan, C.K, Buckle, A.M, Fersht, A.R. | Deposit date: | 1998-12-03 | Release date: | 1998-12-09 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A structural double-mutant cycle: estimating the strength of a buried salt bridge in barnase. Acta Crystallogr.,Sect.D, 58, 2002
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1Y9S
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![BU of 1y9s by Molmil](/molmil-images/mine/1y9s) | Crystal structure of the A-DNA GCGTAT*CGC with a 2'-O-propargyl Thymidine (T*) | Descriptor: | 5'-D(*GP*CP*GP*TP*AP*(2GT)P*AP*CP*GP*C)-3') | Authors: | Egli, M, Minasov, G, Tereshko, V, Pallan, P.S, Teplova, M, Inamati, G.B, Lesnik, E.A, Owens, S.R, Ross, B.S, Prakash, T.P, Manoharan, M. | Deposit date: | 2004-12-16 | Release date: | 2005-06-28 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Probing the Influence of Stereoelectronic Effects on the Biophysical Properties of Oligonucleotides: Comprehensive Analysis of the RNA Affinity, Nuclease Resistance, and Crystal Structure of Ten 2'-O-Ribonucleic Acid Modifications. Biochemistry, 44, 2005
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1YBC
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![BU of 1ybc by Molmil](/molmil-images/mine/1ybc) | Crystal structure of the A-DNA GCGTAT*CGC with a 2'-O-[2-(benzyloxy)ethyl] Thymidine (T*) | Descriptor: | 5'-D(*GP*CP*GP*TP*AP*(BOE)P*AP*CP*GP*C)-3'), STRONTIUM ION | Authors: | Egli, M, Minasov, G, Tereshko, V, Pallan, P.S, Teplova, M, Inamati, G.B, Lesnik, E.A, Owens, S.R, Ross, B.S, Prakash, T.P, Manoharan, M. | Deposit date: | 2004-12-20 | Release date: | 2005-06-28 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Probing the Influence of Stereoelectronic Effects on the Biophysical Properties of Oligonucleotides: Comprehensive Analysis of the RNA Affinity, Nuclease Resistance, and Crystal Structure of Ten 2'-O-Ribonucleic Acid Modifications. Biochemistry, 44, 2005
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5FFY
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![BU of 5ffy by Molmil](/molmil-images/mine/5ffy) | Crystal structure of the bromodomain of human BRPF1 in complex with a benzimidazole ligand | Descriptor: | 4-ethyl-~{N}-(6-methoxy-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)benzenesulfonamide, Peregrin | Authors: | Tallant, C, Savitsky, P, Nunez-Alonso, G, Kopec, J, Fedorov, O, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S. | Deposit date: | 2015-12-19 | Release date: | 2015-12-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Crystal structure of the bromodomain of human BRPF1 in complex with a benzimidazole ligand To Be Published
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5FG4
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![BU of 5fg4 by Molmil](/molmil-images/mine/5fg4) | Crystal structure of the bromodomain of human BRPF1 in complex with OF-1 chemical probe | Descriptor: | 4-bromanyl-~{N}-(6-methoxy-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-2-methyl-benzenesulfonamide, Peregrin | Authors: | Tallant, C, Owen, D.R, Gerstenberger, B.S, Savitsky, P, Chaikuad, A, Fedorov, O, Nunez-Alonso, G, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Muller, S, Knapp, S. | Deposit date: | 2015-12-20 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structure of the bromodomain of human BRPF1 in complex with OF-1 chemical probe To Be Published
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5UY3
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![BU of 5uy3 by Molmil](/molmil-images/mine/5uy3) | Crystal structure of human Fab PGT144, a broadly reactive and potent HIV-1 neutralizing antibody | Descriptor: | Antibody PGT144 Fab heavy chain, Antibody PGT144 Fab light chain | Authors: | Julien, J.-P, Lee, J.H, Wilson, I.A. | Deposit date: | 2017-02-23 | Release date: | 2017-04-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A Broadly Neutralizing Antibody Targets the Dynamic HIV Envelope Trimer Apex via a Long, Rigidified, and Anionic beta-Hairpin Structure. Immunity, 46, 2017
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2HZ0
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![BU of 2hz0 by Molmil](/molmil-images/mine/2hz0) | Abl kinase domain in complex with NVP-AEG082 | Descriptor: | 2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-YL)METHYL]AMINO}-N-[4-PROPYL-3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE, Proto-oncogene tyrosine-protein kinase ABL1 | Authors: | Cowan-Jacob, S.W, Fendrich, G, Liebetanz, J, Fabbro, D, Manley, P. | Deposit date: | 2006-08-08 | Release date: | 2007-01-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural biology contributions to the discovery of drugs to treat chronic myelogenous leukaemia. ACTA CRYSTALLOGR.,SECT.D, 63, 2007
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5HO8
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![BU of 5ho8 by Molmil](/molmil-images/mine/5ho8) | DISCOVERY OF NOVEL 7-AZAINDOLES AS PDK1 INHIBITORS | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, 4-butyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine, SULFATE ION | Authors: | Wucherer-Plietker, M, Esdar, C, Knoechel, T, Hillertz, P, Heinrich, T, Buchstaller, H.P, Greiner, H, Dorsch, D, Calderini, M, Bruge, D, Mueller, T.J.J, Graedler, U. | Deposit date: | 2016-01-19 | Release date: | 2016-06-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of novel 7-azaindoles as PDK1 inhibitors. Bioorg.Med.Chem.Lett., 26, 2016
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6DN6
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![BU of 6dn6 by Molmil](/molmil-images/mine/6dn6) | |
2XSZ
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![BU of 2xsz by Molmil](/molmil-images/mine/2xsz) | The dodecameric human RuvBL1:RuvBL2 complex with truncated domains II | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, RUVB-LIKE 1, RUVB-LIKE 2 | Authors: | Gorynia, S, Bandeiras, T.M, Matias, P.M, Pinho, F.G, McVey, C.E, Vonrhein, C, Svergun, D.I, Round, A, Donner, P, Carrondo, M.A. | Deposit date: | 2010-10-01 | Release date: | 2011-10-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural and Functional Insights Into a Dodecameric Molecular Machine - the Ruvbl1/Ruvbl2 Complex. J.Struct.Biol., 176, 2011
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5DZJ
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![BU of 5dzj by Molmil](/molmil-images/mine/5dzj) | Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 2 with carbapenem drug T206 in conformation A | Descriptor: | (2~{R},3~{R},4~{R})-4-methyl-3-(2-oxidanylidene-2-propoxy-ethyl)sulfanyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid, L,D-transpeptidase 2 | Authors: | Kumar, P, Ginell, S.L, Lamichhane, G. | Deposit date: | 2015-09-25 | Release date: | 2016-10-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.095 Å) | Cite: | Non-classical transpeptidases yield insight into new antibacterials. Nat. Chem. Biol., 13, 2017
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7YGQ
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![BU of 7ygq by Molmil](/molmil-images/mine/7ygq) | Crystal structure of SARS main protease in complex with inhibitor YH-53 | Descriptor: | 3C-like proteinase nsp5, N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | Authors: | Lin, C, Zhong, F.L, Zhou, X.L, Zeng, P, Zhang, J, Li, J. | Deposit date: | 2022-07-12 | Release date: | 2022-12-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structural Basis for the Inhibition of Coronaviral Main Proteases by a Benzothiazole-Based Inhibitor. Viruses, 14, 2022
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5E33
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![BU of 5e33 by Molmil](/molmil-images/mine/5e33) | Structure of human DPP3 in complex with met-enkephalin | Descriptor: | Dipeptidyl peptidase 3, MAGNESIUM ION, Met-enkephalin, ... | Authors: | Kumar, P, Reithofer, V, Reisinger, M, Pavkov-Keller, T, Wallner, S, Macheroux, P, Gruber, K. | Deposit date: | 2015-10-01 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.837 Å) | Cite: | Substrate complexes of human dipeptidyl peptidase III reveal the mechanism of enzyme inhibition. Sci Rep, 6, 2016
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5W3Q
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![BU of 5w3q by Molmil](/molmil-images/mine/5w3q) | L28F E.coli DHFR in complex with NADPH | Descriptor: | CALCIUM ION, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Oyen, D, Wright, P.E, Wilson, I.A. | Deposit date: | 2017-06-08 | Release date: | 2017-08-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.401 Å) | Cite: | Defining the Structural Basis for Allosteric Product Release from E. coli Dihydrofolate Reductase Using NMR Relaxation Dispersion. J. Am. Chem. Soc., 139, 2017
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1PWB
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![BU of 1pwb by Molmil](/molmil-images/mine/1pwb) | High resolution crystal structure of an active recombinant fragment of human lung surfactant protein D with maltose | Descriptor: | CALCIUM ION, Pulmonary surfactant-associated protein D, alpha-D-glucopyranose, ... | Authors: | Shrive, A.K, Tharia, H.A, Strong, P, Kishore, U, Burns, I, Rizkallah, P.J, Reid, K.B, Greenhough, T.J. | Deposit date: | 2003-07-01 | Release date: | 2003-08-05 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | High-resolution structural insights into ligand binding and immune cell recognition by human lung surfactant protein D J.Mol.Biol., 331, 2003
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4OD1
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![BU of 4od1 by Molmil](/molmil-images/mine/4od1) | Crystal structure of human Fab CAP256-VRC26.03, a potent V1V2-directed HIV-1 neutralizing antibody | Descriptor: | CAP256-VRC26.03 heavy chain, CAP256-VRC26.03 light chain | Authors: | Gorman, J, Doria-Rose, N.A, Schramm, C.A, Moore, P.L, Mascola, J.R, Shapiro, L, Morris, L, Kwong, P.D. | Deposit date: | 2014-01-09 | Release date: | 2014-02-26 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Developmental pathway for potent V1V2-directed HIV-neutralizing antibodies. Nature, 509, 2014
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3ZCV
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![BU of 3zcv by Molmil](/molmil-images/mine/3zcv) | Rabbit muscle glycogen phosphorylase b in complex with N-(indol-2- carbonyl)-N-beta-D-glucopyranosyl urea determined at 1.8 A resolution | Descriptor: | GLYCOGEN PHOSPHORYLASE, MUSCLE FORM, N-[(1H-indol-2-ylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine, ... | Authors: | Chrysina, E.D, Nagy, V, Felfoldi, N, Konya, B, Telepo, K, Praly, J.P, Docsa, T, Gergely, P, Alexacou, K.M, Hayes, J.M, Konstantakaki, M, Kardakaris, R, Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G, Somsak, L. | Deposit date: | 2012-11-21 | Release date: | 2013-12-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Synthesis, Kinetic, Computational and Crystallographic Evaluation of N-Acyl-N-Beta-D- Glucopyranosyl)Ureas, Nanomolar Glucose Analogue Inhibitors of Glycogen Phosphorylase, Potential Antidiabetic Agents To be Published
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1YZ2
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![BU of 1yz2 by Molmil](/molmil-images/mine/1yz2) | Solution structure of Am2766 | Descriptor: | Delta-conotoxin Am 2766 | Authors: | Sarma, S.P, Kumar, G.S, Sudarslal, S, Iengar, P, Sikdar, S.K, Krishnan, K.S, Balaram, P. | Deposit date: | 2005-02-26 | Release date: | 2006-02-07 | Last modified: | 2019-11-06 | Method: | SOLUTION NMR | Cite: | Solution Structure of delta-Am2766: A Highly Hydrophobic delta-Conotoxin from Conus amadis That Inhibits Inactivation of Neuronal Voltage-Gated Sodium Channels CHEM.BIODIVERS., 2, 2005
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5X1T
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![BU of 5x1t by Molmil](/molmil-images/mine/5x1t) | PpkA-294 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, PpkA-294 | Authors: | Li, P.P, Ran, T.T, Xu, D.Q, Wang, W.W. | Deposit date: | 2017-01-26 | Release date: | 2018-01-31 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Crystal structures of the kinase domain of PpkA, a key regulatory component of T6SS, reveal a general inhibitory mechanism. Biochem.J., 475, 2018
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6DSR
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![BU of 6dsr by Molmil](/molmil-images/mine/6dsr) | Re-refinement of P. falciparum orotidine 5'-monophosphate decarboxylase | Descriptor: | Orotidine 5'-monophosphate decarboxylase, URIDINE-5'-MONOPHOSPHATE | Authors: | Brandt, G.S, Novak, W.R.P. | Deposit date: | 2018-06-14 | Release date: | 2018-10-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.597 Å) | Cite: | Re-refinement of Plasmodium falciparum orotidine 5'-monophosphate decarboxylase provides a clearer picture of an important malarial drug target. Acta Crystallogr F Struct Biol Commun, 74, 2018
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5E8E
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![BU of 5e8e by Molmil](/molmil-images/mine/5e8e) | Crystal structure of thrombin bound to an exosite 1-specific IgA Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, ... | Authors: | Baglin, T.P, Langdown, J, Frasson, R, Huntington, J.A. | Deposit date: | 2015-10-14 | Release date: | 2015-10-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery and characterization of an antibody directed against exosite I of thrombin. J.Thromb.Haemost., 14, 2016
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5X1Q
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![BU of 5x1q by Molmil](/molmil-images/mine/5x1q) | PpkA-294 with ATP and MnCl2 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Li, P.P, Ran, T.T, Xu, D.Q, Wang, W.W. | Deposit date: | 2017-01-26 | Release date: | 2018-01-31 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.602 Å) | Cite: | Crystal structures of the kinase domain of PpkA, a key regulatory component of T6SS, reveal a general inhibitory mechanism. Biochem.J., 475, 2018
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