5BNE
 
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4OAY
 | | BldD CTD-c-di-GMP complex | | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), DNA-binding protein | | Authors: | Schumacher, M.A, Tschowri, N, Buttner, M, Brennan, R.G. | | Deposit date: | 2014-01-06 | | Release date: | 2014-11-19 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Tetrameric c-di-GMP mediates effective transcription factor dimerization to control Streptomyces development.
Cell(Cambridge,Mass.), 158, 2014
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8RIV
 | | T2R-TTL-1-K08 complex | | Descriptor: | (4-fluoranyl-2-methyl-1~{H}-indol-5-yl) 3,4,5-trimethoxybenzenesulfonate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Boiarska, Z, Homer, J.A, Steinmetz, M.O, Moses, J.E, Prota, A.E.P. | | Deposit date: | 2023-12-19 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Modular synthesis of functional libraries by accelerated SuFEx click chemistry.
Chem Sci, 15, 2024
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8RIW
 | | T2R-TTL-1-L01 complex | | Descriptor: | (2-methyl-1~{H}-indol-5-yl) 3,4,5-trimethoxybenzenesulfonate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Prota, A.E.P, Boiarska, Z, Homer, J.A, Steinmetz, M.O, Moses, J.E. | | Deposit date: | 2023-12-19 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Modular synthesis of functional libraries by accelerated SuFEx click chemistry.
Chem Sci, 15, 2024
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3R18
 | | Chicken sulfite oxidase double mutant with altered activity and substrate affinity | | Descriptor: | MOLYBDENUM ATOM, PHOSPHONIC ACIDMONO-(2-AMINO-5,6-DIMERCAPTO-4-OXO-3,7,8A,9,10,10A-HEXAHYDRO-4H-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-7-YLMETHYL)ESTER, Sulfite oxidase | | Authors: | Qiu, J.A, Wilson, H.L, Rajagopalan, K.V. | | Deposit date: | 2011-03-09 | | Release date: | 2012-02-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure-based alteration of substrate specificity and catalytic activity of sulfite oxidase from sulfite oxidation to nitrate reduction.
Biochemistry, 51, 2012
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7VTV
 | | Crystal structure of PDE8A catalytic domain in complex with 15 | | Descriptor: | 2-chloro-9-(3-(2,2-difluoroethoxy)-5-(difluoromethoxy)benzyl)-9H-purin-6-amine, High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A, MAGNESIUM ION, ... | | Authors: | Wu, X.-N, Zhou, Q, Huang, Y.-D, Li, Z, Wu, Y, Luo, H.-B. | | Deposit date: | 2021-10-31 | | Release date: | 2022-11-02 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure-Based Discovery of Orally Efficient PDE8 Inhibitors for the Treatment of Vascular Dementia
To Be Published
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3MMP
 | | Structure of the Qb replicase, an RNA-dependent RNA polymerase consisting of viral and host proteins | | Descriptor: | (2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy}-2,2-bis({[(2R)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol, Elongation factor Tu 2, Elongation factor Ts, ... | | Authors: | Kidmose, R.T, Vasiliev, N.N, Chetverin, A.B, Knudsen, C.R, Andersen, G.R. | | Deposit date: | 2010-04-20 | | Release date: | 2010-06-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of the Qbeta replicase, an RNA-dependent RNA polymerase consisting of viral and host proteins.
Proc.Natl.Acad.Sci.USA, 107, 2010
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7ZJ4
 | | Ligand bound state of a brocolli-pepper aptamer FRET tile | | Descriptor: | 4-(3,5-difluoro-4-hydroxybenzyl)-1,2-dimethyl-1H-imidazol-5-ol, 4-[(~{Z})-1-cyano-2-[5-[2-hydroxyethyl(methyl)amino]thieno[3,2-b]thiophen-2-yl]ethenyl]benzenecarbonitrile, POTASSIUM ION, ... | | Authors: | McRae, E.K.S, Vallina, N.S, Hansen, B.K, Boussebayle, A, Andersen, E.S. | | Deposit date: | 2022-04-08 | | Release date: | 2023-04-19 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (4.43 Å) | | Cite: | Structure determination of Pepper-Broccoli FRET pair by RNA origami scaffolding
To Be Published
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6QLS
 | | Galectin-3C in complex with fluoroaryltriazole monothiogalactoside derivative 6 | | Descriptor: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-(4-phenyl-1,2,3-triazol-1-yl)oxan-2-yl]sulfanyl-oxane-3,4,5-triol, CHLORIDE ION, Galectin-3 | | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | | Deposit date: | 2019-02-01 | | Release date: | 2019-07-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.047 Å) | | Cite: | Structure and Energetics of Ligand-Fluorine Interactions with Galectin-3 Backbone and Side-Chain Amides: Insight into Solvation Effects and Multipolar Interactions.
Chemmedchem, 14, 2019
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8HL5
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8XK7
 | | binary complex of DNA polymerase SFM4-3 recognizing C2 methyoxy nucleotide | | Descriptor: | DI(HYDROXYETHYL)ETHER, DNA polymerase I, thermostable, ... | | Authors: | Wen, C, Liu, H, Yang, L, Gong, W. | | Deposit date: | 2023-12-22 | | Release date: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Basis for C2'-methoxy Recognition by DNA Polymerases and Function Improvement.
J.Mol.Biol., 436, 2024
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4LVT
 | | Bcl_2-Navitoclax (ABT-263) Complex | | Descriptor: | 4-(4-{[2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-[(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]benzamide, Apoptosis regulator Bcl-2 | | Authors: | Park, C.H. | | Deposit date: | 2013-07-26 | | Release date: | 2013-08-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | ABT-199, a potent and selective BCL-2 inhibitor, achieves antitumor activity while sparing platelets.
NAT.MED. (N.Y.), 19, 2013
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3M0E
 | | Crystal structure of the ATP-bound state of Walker B mutant of NtrC1 ATPase domain | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Transcriptional regulator (NtrC family) | | Authors: | Chen, B, Sysoeva, T.A, Chowdhury, S, Rusu, M, Birmanns, S, Guo, L, Hanson, J, Yang, H, Nixon, B.T. | | Deposit date: | 2010-03-02 | | Release date: | 2010-11-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | Engagement of Arginine Finger to ATP Triggers Large Conformational Changes in NtrC1 AAA+ ATPase for Remodeling Bacterial RNA Polymerase.
Structure, 18, 2010
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4LXA
 | | Crystal Structure of Human Beta Secretase in Complex with Compound 11a | | Descriptor: | (1R,3S,4S,5R)-3-{4-amino-3-fluoro-5-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]benzyl}-5-[(3-tert-butylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1-oxide, Beta-secretase 1, GLYCEROL, ... | | Authors: | Rondeau, J.M, Bourgier, E. | | Deposit date: | 2013-07-29 | | Release date: | 2013-08-28 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Discovery of cyclic sulfoxide hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides.
Bioorg.Med.Chem.Lett., 23, 2013
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1R52
 | | Crystal structure of the bifunctional chorismate synthase from Saccharomyces cerevisiae | | Descriptor: | Chorismate synthase | | Authors: | Quevillon-Cheruel, S, Leulliot, N, Meyer, P, Graille, M, Bremang, M, Blondeau, K, Sorel, I, Poupon, A, Janin, J, van Tilbeurgh, H. | | Deposit date: | 2003-10-09 | | Release date: | 2003-12-23 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Crystal structure of the bifunctional chorismate synthase from Saccharomyces cerevisiae
J.Biol.Chem., 279, 2004
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1YKD
 | | Crystal Structure of the Tandem GAF Domains from a Cyanobacterial Adenylyl Cyclase: Novel Modes of Ligand-Binding and Dimerization | | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, adenylate cyclase | | Authors: | Martinez, S.E, Bruder, S, Schultz, A, Zheng, N, Schultz, J.E, Beavo, J.A, Linder, J.U. | | Deposit date: | 2005-01-17 | | Release date: | 2005-02-22 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the tandem GAF domains from a cyanobacterial adenylyl cyclase: Modes of ligand binding and dimerization
Proc.Natl.Acad.Sci.USA, 102, 2005
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4HO9
 | | Crystal structure of glucose 1-phosphate thymidylyltransferase from Aneurinibacillus thermoaerophilus complexed with UDP-galactose and UTP | | Descriptor: | GALACTOSE-URIDINE-5'-DIPHOSPHATE, Glucose-1-phosphate thymidylyltransferase, SULFATE ION, ... | | Authors: | Chen, T.J, Chien, W.T, Lin, C.C, Wang, W.C. | | Deposit date: | 2012-10-22 | | Release date: | 2013-10-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of glucose 1-phosphate thymidylyltransferase from Aneurinibacillus thermoaerophilus complexed with UDP-galactose and UTP
TO BE PUBLISHED
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1R78
 | | CDK2 complex with a 4-alkynyl oxindole inhibitor | | Descriptor: | 4-((3R,4S,5R)-4-AMINO-3,5-DIHYDROXY-HEX-1-YNYL)-5-FLUORO-3-[1-(3-METHOXY-1H-PYRROL-2-YL)-METH-(Z)-YLIDENE]-1,3-DIHYDRO-INDOL-2-ONE, Cell division protein kinase 2 | | Authors: | Luk, K.-C, Simcox, M.E, Schutt, A, Rowan, K, Thompson, T, Chen, Y, Kammlott, U, DePinto, W, Dunten, P, Dermatakis, A. | | Deposit date: | 2003-10-20 | | Release date: | 2004-01-20 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A new series of potent oxindole inhibitors of CDK2
Bioorg.Med.Chem.Lett., 14, 2004
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8TW7
 | | Cryo-EM structure of S. cerevisiae Ctf18-RFC-PCNA complex in Apo state conformation I | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Chromosome transmission fidelity protein 18, MAGNESIUM ION, ... | | Authors: | Yuan, Z, Georgescu, R, O'Donnell, M, Li, H. | | Deposit date: | 2023-08-20 | | Release date: | 2024-09-04 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Mechanism of PCNA loading by Ctf18-RFC for leading-strand DNA synthesis.
Science, 385, 2024
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2WE4
 | | Carbamate kinase from Enterococcus faecalis bound to a sulfate ion and two water molecules, which mimic the substrate carbamyl phosphate | | Descriptor: | CARBAMATE KINASE 1, SULFATE ION | | Authors: | Ramon-Maiques, S, Marina, A, Gil-Ortiz, F, Rubio, V. | | Deposit date: | 2009-03-27 | | Release date: | 2010-03-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Substrate Binding and Catalysis in Carbamate Kinase Ascertained by Crystallographic and Site-Directed Mutagenesis Studies. Movements and Significance of a Unique Globular Subdomain of This Key Enzyme for Fermentative ATP Production in Bacteria.
J.Mol.Biol., 397, 2010
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6Z9S
 | | Transcription termination intermediate complex 4 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, DNA-directed RNA polymerase subunit alpha, ... | | Authors: | Said, N, Hilal, T, Loll, B, Wahl, M.C. | | Deposit date: | 2020-06-04 | | Release date: | 2020-11-04 | | Last modified: | 2025-04-09 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Steps toward translocation-independent RNA polymerase inactivation by terminator ATPase rho.
Science, 371, 2021
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8TW8
 | | Cryo-EM structure of S. cerevisiae Ctf18-RFC-PCNA complex in Apo state conformation I | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Chromosome transmission fidelity protein 18, MAGNESIUM ION, ... | | Authors: | Yuan, Z, Georgescu, R, O'Donnell, M, Li, H. | | Deposit date: | 2023-08-20 | | Release date: | 2024-09-04 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Mechanism of PCNA loading by Ctf18-RFC for leading-strand DNA synthesis.
Science, 385, 2024
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5AA4
 | | Crystal structure of MltF from Pseudomonas aeruginosa in complex with cell-wall tetrapeptide | | Descriptor: | MEMBRANE-BOUND LYTIC MUREIN TRANSGLYCOSYLASE F, [6-[[(2~{R})-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-6-oxidanylidene-5-[[(4~{R})-5-oxidanyl-5-oxidanylidene-4-[[(2~{S})-2-[[(2~{R})-2-oxidanylpropanoyl]amino]propanoyl]amino]pentanoyl]amino]hexyl]azanium | | Authors: | Dominguez-Gil, T, Acebron, I, Hermoso, J.A. | | Deposit date: | 2015-07-23 | | Release date: | 2016-10-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Activation by Allostery in Cell-Wall Remodeling by a Modular Membrane-Bound Lytic Transglycosylase from Pseudomonas aeruginosa.
Structure, 24, 2016
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4OHW
 | | C. Elegans Clp1 bound to ATP, and Mn2+(ATP-bound state) | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, NONAETHYLENE GLYCOL, ... | | Authors: | Dikfidan, A, Loll, B, Zeymer, C, Clausen, T, Meinhart, A. | | Deposit date: | 2014-01-18 | | Release date: | 2014-05-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | RNA specificity and regulation of catalysis in the eukaryotic polynucleotide kinase clp1.
Mol.Cell, 54, 2014
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7MXR
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