4KUN
 
 | | Crystal structure of Legionella pneumophila Lpp1115 / KaiB | | Descriptor: | Hypothetical protein Lpp1115 | | Authors: | Petit, P, Stogios, P.J, Stein, A, Wawrzak, Z, Skarina, T, Daniels, C, Di Leo, R, Buchrieser, C, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2013-05-22 | | Release date: | 2013-06-05 | | Last modified: | 2014-10-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The Legionella pneumophila kai operon is implicated in stress response and confers fitness in competitive environments.
Environ Microbiol, 16, 2014
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3BIG
 | | Crystal structure of the fructose-1,6-bisphosphatase GlpX from E.coli in complex with inorganic phosphate | | Descriptor: | Fructose-1,6-bisphosphatase class II glpX, PHOSPHATE ION, UNKNOWN ATOM OR ION | | Authors: | Lunin, V.V, Skarina, T, Brown, G, Yakunin, A.F, Edwards, A.M, Savchenko, A. | | Deposit date: | 2007-11-30 | | Release date: | 2008-12-09 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural and Biochemical Characterization of the Type II Fructose-1,6-bisphosphatase GlpX from Escherichia coli.
J.Biol.Chem., 284, 2009
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6Y91
 | | Crystal structure of malate dehydrogenase from Plasmodium Falciparum in complex with NADH | | Descriptor: | Malate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Romero, A.R, Calderone, V, Gentili, M, Lunev, S, Groves, M, Popowicz, G, Domling, A, Sattler, M. | | Deposit date: | 2020-03-06 | | Release date: | 2021-03-31 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A fragment-based approach identifies an allosteric pocket that impacts malate dehydrogenase activity.
Commun Biol, 4, 2021
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6YBH
 | | Deoxyribonucleoside Kinase | | Descriptor: | Deoxynucleoside kinase, GLYCEROL, Pyrrolo-dC, ... | | Authors: | Allouche-Arnon, H, Bar-Shir, A, Dym, O. | | Deposit date: | 2020-03-17 | | Release date: | 2021-03-31 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Computationally designed dual-color MRI reporters for noninvasive imaging of transgene expression.
Nat.Biotechnol., 40, 2022
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4L0J
 | | Structure of a translocation signal domain mediating conjugative transfer by type IV secretion systems | | Descriptor: | DNA helicase I, MAGNESIUM ION, SULFATE ION | | Authors: | Redzej, A, Ilangovan, A, Lang, S, Gruber, C.J, Topf, M, Zangger, K, Zechner, E.L, Waksman, G. | | Deposit date: | 2013-05-31 | | Release date: | 2013-06-19 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure of a translocation signal domain mediating conjugative transfer by type IV secretion systems.
Mol.Microbiol., 89, 2013
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6YM5
 | | Crystal structure of BAY-091 with PIP4K2A | | Descriptor: | (2~{R})-2-[[3-cyano-2-[4-(2-fluoranyl-3-methyl-phenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanoic acid, PHOSPHATE ION, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha | | Authors: | Holton, S.J, Wortmann, L, Braeuer, N, Irlbacher, H, Weiske, J, Lechner, C, Meier, R, Puetter, V, Christ, C, ter Laak, T, Lienau, P, Lesche, R, Nicke, B, Bauser, M, Haegebarth, A, von Nussbaum, F, Mumberg, D, Lemos, C. | | Deposit date: | 2020-04-07 | | Release date: | 2021-04-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery and Characterization of the Potent and Highly Selective 1,7-Naphthyridine-Based Inhibitors BAY-091 and BAY-297 of the Kinase PIP4K2A.
J.Med.Chem., 64, 2021
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4L9F
 | | Structure of a SeMet derivative of PpsR Q-PAS1 from Rb. sphaeroides | | Descriptor: | Transcriptional regulator, PpsR | | Authors: | Heintz, U, Meinhart, A, Schlichting, I, Winkler, A. | | Deposit date: | 2013-06-18 | | Release date: | 2014-02-12 | | Last modified: | 2014-04-02 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Multi-PAS domain-mediated protein oligomerization of PpsR from Rhodobacter sphaeroides.
Acta Crystallogr.,Sect.D, 70, 2014
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2VID
 | | Serine protease SplB from Staphylococcus aureus at 1.8A resolution | | Descriptor: | SERINE PROTEASE SPLB | | Authors: | Dubin, G, Stec-Niemczyk, J, Kisielewska, M, Pustelny, K, Popowicz, G.M, Bista, M, Kantyka, T, Boulware, K.T, Stennicke, H.R, Czarna, A, Phopaisarn, M, Daugherty, P.S, Thogersen, I.B, Enghild, J.J, Thornberry, N, Dubin, A, Potempa, J. | | Deposit date: | 2007-11-30 | | Release date: | 2008-05-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Enzymatic Activity of the Staphylococcus Aureus Splb Serine Protease is Induced by Substrates Containing the Sequence Trp-Glu-Leu-Gln.
J.Mol.Biol., 379, 2008
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6YKG
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4KY1
 | | humanized HP1/2 Fab | | Descriptor: | IMMUNOGLOBULIN IGG1 FAB, HEAVY CHAIN, LIGHT CHAIN | | Authors: | Arndt, J.W, Hanf, K.J.M, Lugovskoy, A, Chen, L.L, Jarpe, M, Boriack-Sjodin, A, Li, Y, van Vlijmen, H, Pepinsky, B, Taylor, F, Silvian, L, Taveras, A. | | Deposit date: | 2013-05-28 | | Release date: | 2013-07-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.97 Å) | | Cite: | Antibody humanization by redesign of complementarity-determining region residues proximate to the acceptor framework.
METHODS (SAN DIEGO), 65, 2014
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6YM3
 | | Crystal structure of Compound 1 with PIP4K2A | | Descriptor: | (2~{R})-2-[[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-5,8-dihydro-1,7-naphthyridin-4-yl]amino]propanoic acid, PHOSPHATE ION, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha | | Authors: | Holton, S.J, Wortmann, L, Braeuer, N, Irlbacher, H, Weiske, J, Lechner, C, Meier, R, Puetter, V, Christ, C, ter Laak, T, Lienau, P, Lesche, R, Nicke, B, Bauser, M, Haegebarth, A, von Nussbaum, F, Mumberg, D, Lemos, C. | | Deposit date: | 2020-04-07 | | Release date: | 2021-04-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Discovery and Characterization of the Potent and Highly Selective 1,7-Naphthyridine-Based Inhibitors BAY-091 and BAY-297 of the Kinase PIP4K2A.
J.Med.Chem., 64, 2021
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6YM4
 | | Crystal structure of BAY-297 with PIP4K2A | | Descriptor: | (2~{R})-2-[[2-[4-(3-chloranyl-2-fluoranyl-phenyl)phenyl]-3-cyano-1,7-naphthyridin-4-yl]amino]butanamide, GLYCEROL, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha | | Authors: | Holton, S.J, Wortmann, L, Braeuer, N, Irlbacher, H, Weiske, J, Lechner, C, Meier, R, Puetter, V, Christ, C, ter Laak, T, Lienau, P, Lesche, R, Nicke, B, Bauser, M, Haegebarth, A, von Nussbaum, F, Mumberg, D, Lemos, C. | | Deposit date: | 2020-04-07 | | Release date: | 2021-04-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Discovery and Characterization of the Potent and Highly Selective 1,7-Naphthyridine-Based Inhibitors BAY-091 and BAY-297 of the Kinase PIP4K2A.
J.Med.Chem., 64, 2021
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7QEJ
 | | Structure of the ligand binding domain of the antibiotic biosynthesis regulator AdmX from the rhizobacterium Serratia plymuthica A153 bound to the auxin indole-3-acetic acid (IAA). | | Descriptor: | 1H-INDOL-3-YLACETIC ACID, MAGNESIUM ION, TRANSCRIPTIONAL REGULATOR AdmX | | Authors: | Gavira, J.A, Rico-Jimenez, M, Castellvi, A, Krell, T, Matilla, M.A. | | Deposit date: | 2021-12-03 | | Release date: | 2022-12-14 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Emergence of an Auxin Sensing Domain in Plant-Associated Bacteria.
Mbio, 14, 2023
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7QEK
 | | Structure of the ligand binding domain of the antibiotic biosynthesis regulator AdmX from the rhizobacterium Serratia plymuthica A153 bound to the auxin indole-3-piruvic acid (IPA). | | Descriptor: | 3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID, MAGNESIUM ION, regulator AdmX | | Authors: | Gavira, J.A, Rico-Jimenez, M, Castellvi, A, Krell, T, Matilla, M.A. | | Deposit date: | 2021-12-03 | | Release date: | 2022-12-14 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Emergence of an Auxin Sensing Domain in Plant-Associated Bacteria.
Mbio, 14, 2023
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6YPW
 | | Crystal structure for the complex of human carbonic anhydrase II and 4-((1-(2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl)-1H-1,2,3-triazol-4-yl)methoxy)benzenesulfonamide | | Descriptor: | 4-[[1-[(2~{S},3~{S},5~{R})-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]-1,2,3-triazol-4-yl]methoxy]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION | | Authors: | Angeli, A, Ferraroni, M. | | Deposit date: | 2020-04-16 | | Release date: | 2021-04-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Mechanisms of the Antiproliferative and Antitumor Activity of Novel Telomerase-Carbonic Anhydrase Dual-Hybrid Inhibitors.
J.Med.Chem., 64, 2021
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3ZJV
 | | Ternary complex of E .coli leucyl-tRNA synthetase, tRNA(Leu) and the benzoxaborole AN3213 in the editing conformation | | Descriptor: | LEUCINE--TRNA LIGASE, TRNALEU5 UAA ISOACCEPTOR | | Authors: | Cusack, S, Palencia, A, Crepin, T, Hernandez, V, Akama, T, Baker, S.J, Bu, W, Feng, L, Freund, Y.R, Liu, L, Meewan, M, Mohan, M, Mao, W, Rock, F.L, Sexton, H, Sheoran, A, Zhang, Y, Zhang, Y, Zhou, Y, Nieman, J.A, Anugula, M.R, Keramane, E.M, Savariraj, K, Reddy, D.S, Sharma, R, Subedi, R, Singh, R, OLeary, A, Simon, N.L, DeMarsh, P.L, Mushtaq, S, Warner, M, Livermore, D.M, Alley, M.R.K, Plattner, J.J. | | Deposit date: | 2013-01-18 | | Release date: | 2013-04-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Discovery of a Novel Class of Boron-Based Antibacterials with Activity Against Gram-Negative Bacteria.
Antimicrob.Agents Chemother., 57, 2013
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1YSQ
 | | The crystal structure of transcriptional regulator YaiJ | | Descriptor: | HTH-type transcriptional regulator yiaJ, PHOSPHATE ION | | Authors: | Bochkarev, A, Lunin, V.V, Ezersky, A, Evdokimova, E, Skarina, T, Xu, X, Borek, D, Edwards, A.M, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2005-02-08 | | Release date: | 2005-03-22 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural study of effector binding specificity in IclR transcriptional regulators
To be Published
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4MX2
 | | Crystal Structure of adenylosuccinate lyase from Leishmania donovani | | Descriptor: | ADENOSINE MONOPHOSPHATE, Adenylosuccinate lyase, GLYCEROL, ... | | Authors: | Wernimont, A.K, Loppnau, P, Dong, A, Krojer, T, Bradley, A, Bushell, S, von Delft, F, Robinson, D, Gilbert, I, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Hui, R, Mottaghi, K, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-09-25 | | Release date: | 2014-04-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structure of adenylosuccinate lyase from Leishmania donovani
To be Published
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7QDE
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1PBJ
 | | CBS domain protein | | Descriptor: | MAGNESIUM ION, hypothetical protein | | Authors: | Cuff, M.E, Skarina, T, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2003-05-14 | | Release date: | 2003-12-16 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure of a hypothetical protein from M. thermautotrophicus reveals a
novel fold and a pseudo 2-fold axis of symmetry
TO BE PUBLISHED
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1PBT
 | | The crystal structure of TM1154, oxidoreductase, sol/devB family from Thermotoga maritima | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-phosphogluconolactonase, ... | | Authors: | Kim, Y, Joachimiak, A, Edwards, A, Skarina, T, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2003-05-15 | | Release date: | 2003-09-23 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The crystal structure analysis of TM1154, oxidoreductase from Thermotoga maritima
To be Published
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3ZJT
 | | Ternary complex of E.coli leucyl-tRNA synthetase, tRNA(Leu)574 and the benzoxaborole AN3017 in the editing conformation | | Descriptor: | LEUCYL-TRNA SYNTHETASE, MAGNESIUM ION, TRNALEU5 UAA ISOACCEPTOR | | Authors: | Cusack, S, Palencia, A, Crepin, T, Hernandez, V, Akama, T, Baker, S.J, Bu, W, Feng, L, Freund, Y.R, Liu, L, Meewan, M, Mohan, M, Mao, W, Rock, F.L, Sexton, H, Sheoran, A, Zhang, Y, Zhang, Y, Zhou, Y, Nieman, J.A, Anugula, M.R, Keramane, E.M, Savariraj, K, Reddy, D.S, Sharma, R, Subedi, R, Singh, R, OLeary, A, Simon, N.L, DeMarsh, P.L, Mushtaq, S, Warner, M, Livermore, D.M, Alley, M.R.K, Plattner, J.J. | | Deposit date: | 2013-01-18 | | Release date: | 2013-04-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of a Novel Class of Boron-Based Antibacterials with Activity Against Gram-Negative Bacteria.
Antimicrob.Agents Chemother., 57, 2013
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6FKP
 | | Crystal structure of BAZ2A PHD zinc finger in complex with H3 10-mer AA mutant peptide | | Descriptor: | ALA-ARG-THR-ALA-ALA-THR-ALA-ARG, Bromodomain adjacent to zinc finger domain protein 2A, GLYCEROL, ... | | Authors: | Amato, A, Lucas, X, Bortoluzzi, A, Wright, D, Ciulli, A. | | Deposit date: | 2018-01-24 | | Release date: | 2018-03-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Targeting Ligandable Pockets on Plant Homeodomain (PHD) Zinc Finger Domains by a Fragment-Based Approach.
ACS Chem. Biol., 13, 2018
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3FL1
 | | X-ray structure of the non covalent swapped form of the A19P/Q28L/K31C/S32C mutant of bovine pancreatic ribonuclease in complex with 2'-DEOXYCYTIDINE-2'-DEOXYGUANOSINE-3',5'-MONOPHOSPHATE | | Descriptor: | 2'-DEOXYCYTIDINE-2'-DEOXYGUANOSINE-3',5'-MONOPHOSPHATE, Ribonuclease pancreatic, SULFATE ION, ... | | Authors: | Merlino, A, Russo Krauss, I, Perillo, M, Mattia, C.A, Ercole, C, Picone, D, Vergara, A, Sica, F. | | Deposit date: | 2008-12-18 | | Release date: | 2009-03-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Toward an antitumor form of bovine pancreatic ribonuclease: The crystal structure of three noncovalent dimeric mutants
Biopolymers, 91, 2009
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2WIH
 | | STRUCTURE OF CDK2-CYCLIN A WITH PHA-848125 | | Descriptor: | CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, N,1,4,4-TETRAMETHYL-8-{[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]AMINO}-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE, ... | | Authors: | Brasca, M.G, Amboldi, N, Ballinari, D, Cameron, A.D, Casale, E, Cervi, G, Colombo, M, Colotta, F, Croci, V, Dalessio, R, Fiorentini, F, Isacchi, A, Mercurio, C, Moretti, W, Panzeri, A, Pastori, W, Pevarello, P, Quartieri, F, Roletto, F, Traquandi, G, Vianello, P, Vulpetti, A, Ciomei, M. | | Deposit date: | 2009-05-13 | | Release date: | 2009-07-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Identification of N,1,4,4-Tetramethyl-8-{[4-(4-Methylpiperazin-1-Yl)Phenyl]Amino}-4,5-Dihydro-1H-Pyrazolo[4,3-H]Quinazoline-3-Carboxamide (Pha-848125), a Potent, Orally Available Cyclin Dependent Kinase Inhibitor.
J.Med.Chem., 52, 2009
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