5SSQ
 
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1LON
 | | Crystal Structure of the Recombinant Mouse-Muscle Adenylosuccinate Synthetase Complexed with 6-phosphoryl-IMP, GDP and Hadacidin | | Descriptor: | 6-O-PHOSPHORYL INOSINE MONOPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, HADACIDIN, ... | | Authors: | Iancu, C.V, Borza, T, Fromm, H.J, Honzatko, R.B. | | Deposit date: | 2002-05-06 | | Release date: | 2002-08-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | IMP, GTP, and 6-phosphoryl-IMP complexes of recombinant mouse muscle adenylosuccinate synthetase.
J.Biol.Chem., 277, 2002
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3T2C
 | | Fructose-1,6-bisphosphate aldolase/phosphatase from Thermoproteus neutrophilus, DHAP-bound form | | Descriptor: | 1,3-DIHYDROXYACETONEPHOSPHATE, Fructose-1,6-bisphosphate aldolase/phosphatase, MAGNESIUM ION | | Authors: | Du, J, Say, R, Lue, W, Fuchs, G, Einsle, O. | | Deposit date: | 2011-07-22 | | Release date: | 2011-10-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Active-site remodelling in the bifunctional fructose-1,6-bisphosphate aldolase/phosphatase.
Nature, 478, 2011
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3T2H
 | | Tetragonal thermolysin in the presence of TMAO | | Descriptor: | CALCIUM ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Cahn, J, Hti Lar Seng, N.S, Juers, D. | | Deposit date: | 2011-07-22 | | Release date: | 2011-12-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The use of trimethylamine N-oxide as a primary precipitating agent and related methylamine osmolytes as cryoprotective agents for macromolecular crystallography.
Acta Crystallogr.,Sect.D, 68, 2012
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5LCW
 | | Cryo-EM structure of the Anaphase-promoting complex/Cyclosome, in complex with the Mitotic checkpoint complex (APC/C-MCC) at 4.2 angstrom resolution | | Descriptor: | Anaphase-promoting complex subunit 1, Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, ... | | Authors: | Alfieri, C, Chang, L, Zhang, Z, Yang, J, Maslen, S, Skehel, M, Barford, D. | | Deposit date: | 2016-06-22 | | Release date: | 2016-08-10 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Molecular basis of APC/C regulation by the spindle assembly checkpoint.
Nature, 536, 2016
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4DO9
 | | Ternary complex of dna polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-monofluoromethylene triphosphate: stereoselective binding of r-isomer | | Descriptor: | 2'-DEOXY-5'-O-[(R)-{[(R)-[(R)-FLUORO(PHOSPHONO)METHYL](HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]GUANOSINE, C C G A C C G C G C A T C A G C, CHLORIDE ION, ... | | Authors: | Batra, V.K. | | Deposit date: | 2012-02-09 | | Release date: | 2012-06-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Beta,gamma-CHF- and beta,gamma-CHCl-dGTP Diastereomers: Synthesis, Discrete (31)P NMR Signatures, and Absolute Configurations of New Stereochemical Probes for DNA Polymerases
J.Am.Chem.Soc., 134, 2012
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9EQJ
 | | Crystal structure of pVHL:EloB:EloC in complex with MP-1-39 | | Descriptor: | (2S,4R)-1-[(2R)-2-[(1-fluoranylcyclopropyl)carbonylamino]-3-methyl-3-[[cis-4-(morpholin-4-ylmethyl)cyclohexyl]methylsulfanyl]butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | | Authors: | Kroupova, A, Pierri, M, Liu, X, Ciulli, A. | | Deposit date: | 2024-03-21 | | Release date: | 2024-08-28 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Stereochemical inversion at a 1,4-cyclohexyl PROTAC linker fine-tunes conformation and binding affinity.
Bioorg.Med.Chem.Lett., 110, 2024
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4DVE
 | | Crystal structure at 2.1 A of the S-component for biotin from an ECF-type ABC transporter | | Descriptor: | BIOTIN, Biotin transporter BioY, nonyl beta-D-glucopyranoside | | Authors: | Berntsson, R.P.-A, ter Beek, J, Majsnerowska, M, Duurkens, R, Puri, P, Poolman, B, Slotboom, D.J. | | Deposit date: | 2012-02-23 | | Release date: | 2012-08-29 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Structural divergence of paralogous S components from ECF-type ABC transporters.
Proc.Natl.Acad.Sci.USA, 109, 2012
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1VEB
 | | Crystal Structure of Protein Kinase A in Complex with Azepane Derivative 5 | | Descriptor: | (3R,4R)-N-{4-[4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-BENZYLOXY]-AZEPAN-3-YL}-ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ... | | Authors: | Breitenlechner, C.B, Wegge, T, Berillon, L, Graul, K, Marzenell, K, Friebe, W.-G, Thomas, U, Schumacher, R, Huber, R, Engh, R.A, Masjost, B. | | Deposit date: | 2004-03-29 | | Release date: | 2005-03-29 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Structure-based optimization of novel azepane derivatives as PKB inhibitors
J.Med.Chem., 47, 2004
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1WS4
 | | Crystal structure of Jacalin- Me-alpha-Mannose complex: Promiscuity vs Specificity | | Descriptor: | Agglutinin alpha chain, Agglutinin beta-3 chain, methyl alpha-D-galactopyranoside, ... | | Authors: | Jeyaprakash, A.A, Jayashree, G, Mahanta, S.K, Sekar, K, Surolia, A, Vijayan, M. | | Deposit date: | 2004-10-31 | | Release date: | 2005-03-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis for the energetics of jacalin-sugar interactions: promiscuity versus specificity
J.Mol.Biol., 347, 2005
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9EQM
 | | Crystal structure of pVHL:EloB:EloC in complex with MP-1-21 | | Descriptor: | (2S,4R)-1-[(2R)-2-[(1-fluoranylcyclopropyl)carbonylamino]-3-methyl-3-[[trans-4-(morpholin-4-ylmethyl)cyclohexyl]methylsulfanyl]butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | | Authors: | Kroupova, A, Pierri, M, Liu, X, Ciulli, A. | | Deposit date: | 2024-03-21 | | Release date: | 2024-08-28 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Stereochemical inversion at a 1,4-cyclohexyl PROTAC linker fine-tunes conformation and binding affinity.
Bioorg.Med.Chem.Lett., 110, 2024
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4DQM
 | | Revealing a marine natural product as a novel agonist for retinoic acid receptors with a unique binding mode and antitumor activity | | Descriptor: | (5S)-4-[(3E,7E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohex-1-en-1-yl)deca-3,7-dien-1-yl]-5-hydroxyfuran-2(5H)-one, Nuclear receptor coactivator 1, Retinoic acid receptor alpha | | Authors: | Wang, S, Wang, Z, Lin, S, Zheng, W, Wang, R, Jin, S, Chen, J, Jin, L, Li, Y. | | Deposit date: | 2012-02-16 | | Release date: | 2012-10-03 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Revealing a natural marine product as a novel agonist for retinoic acid receptors with a unique binding mode and inhibitory effects on cancer cells.
Biochem.J., 446, 2012
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3T0A
 | | E. coli (LacZ) beta-galactosidase (S796T) | | Descriptor: | Beta-galactosidase, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | | Authors: | Jancewicz, L.J, Wheatley, R.W, Sutendra, G, Lee, M, Fraser, M, Huber, R.E. | | Deposit date: | 2011-07-19 | | Release date: | 2012-01-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Ser-796 of Beta-Galactosidase (E. coli) Plays a Key Role in Maintaining an Optimum Balance between the Opened and Closed Conformations of the Catalytically Important Active Site Loop
Arch.Biochem.Biophys., 517, 2012
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8TXX
 | | Cryo-EM structure of the human nucleosome core particle ubiquitylated at histone H2A K15 in complex with RNF168 (Class 3) | | Descriptor: | DNA (147-MER), E3 ubiquitin-protein ligase RNF168, Histone H2A type 1-B/E, ... | | Authors: | Hu, Q, Botuyan, M.V, Zhao, D, Cui, G, Mer, G. | | Deposit date: | 2023-08-24 | | Release date: | 2024-01-17 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
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8TXV
 | | Cryo-EM structure of the human nucleosome core particle ubiquitylated at histone H2A K15 in complex with RNF168 (Class 1) | | Descriptor: | DNA (147-MER), E3 ubiquitin-protein ligase RNF168, Histone H2A type 1-B/E, ... | | Authors: | Hu, Q, Botuyan, M.V, Zhao, D, Cui, G, Mer, G. | | Deposit date: | 2023-08-24 | | Release date: | 2024-01-17 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
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3SOR
 | | Factor XIa in complex with a clorophenyl-tetrazole inhibitor | | Descriptor: | CITRIC ACID, Coagulation factor XI, {4-[(N-{3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]propanoyl}-L-phenylalanyl)amino]phenyl}acetic acid | | Authors: | Kazemier, B, Oubrie, A. | | Deposit date: | 2011-06-30 | | Release date: | 2012-04-11 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | High-resolution crystal structures of factor XIa coagulation factor in complex with nonbasic high-affinity synthetic inhibitors.
Acta Crystallogr.,Sect.F, 68, 2012
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8TXW
 | | Cryo-EM structure of the human nucleosome core particle ubiquitylated at histone H2A K15 in complex with RNF168 (Class 2) | | Descriptor: | DNA (147-MER), E3 ubiquitin-protein ligase RNF168, Histone H2A type 1-B/E, ... | | Authors: | Hu, Q, Botuyan, M.V, Zhao, D, Cui, G, Mer, G. | | Deposit date: | 2023-08-24 | | Release date: | 2024-01-17 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
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1VJC
 | | Structure of pig muscle PGK complexed with MgATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, phosphoglycerate kinase | | Authors: | Flachner, B, Kovari, Z, Varga, A, Gugolya, Z, Vonderviszt, F, Naray-Szabo, G, Vas, M. | | Deposit date: | 2004-02-03 | | Release date: | 2004-03-30 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Role of phosphate chain mobility of MgATP in completing the 3-phosphoglycerate kinase catalytic site: binding, kinetic, and crystallographic studies with ATP and MgATP.
Biochemistry, 43, 2004
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1W2S
 | | Solution structure of CR2 SCR 1-2 in its complex with C3d by X-ray scattering | | Descriptor: | COMPLEMENT C3 PRECURSOR, COMPLEMENT RECEPTOR TYPE 2 PRECURSOR, | | Authors: | Gilbert, H.E, Hannan, J.P, Holers, V.M, Perkins, S.J. | | Deposit date: | 2004-07-08 | | Release date: | 2005-09-29 | | Last modified: | 2024-05-08 | | Method: | SOLUTION SCATTERING | | Cite: | Solution Structure of the Complex between Cr2 Scr 1-2 and C3D of Human Complement: An X-Ray Scattering and Sedimentation Modelling Study.
J.Mol.Biol., 346, 2005
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1DTM
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3T2E
 | | Fructose-1,6-bisphosphate aldolase/phosphatase from Thermoproteus neutrophilus, F6P-bound form | | Descriptor: | FRUCTOSE -6-PHOSPHATE, Fructose-1,6-bisphosphate aldolase/phosphatase, MAGNESIUM ION | | Authors: | Du, J, Say, R, Lue, W, Fuchs, G, Einsle, O. | | Deposit date: | 2011-07-22 | | Release date: | 2011-10-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Active-site remodelling in the bifunctional fructose-1,6-bisphosphate aldolase/phosphatase.
Nature, 478, 2011
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3SQQ
 | | CDK2 in complex with inhibitor RC-3-96 | | Descriptor: | 1,2-ETHANEDIOL, 4-{[4-amino-5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide, Cyclin-dependent kinase 2 | | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | | Deposit date: | 2011-07-06 | | Release date: | 2012-10-31 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
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4DOC
 | | Ternary complex of dna polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-monochlororomethylene triphosphate:binding of S-isomer | | Descriptor: | 5'-O-[(R)-{[(S)-[(S)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyguanosine, C C G A C C G C G C A T C A G C, CHLORIDE ION, ... | | Authors: | Batra, V.K. | | Deposit date: | 2012-02-09 | | Release date: | 2012-06-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.949 Å) | | Cite: | Beta,gamma-CHF- and beta,gamma-CHCl-dGTP Diastereomers: Synthesis, Discrete (31)P NMR Signatures, and Absolute Configurations of New Stereochemical Probes for DNA Polymerases
J.Am.Chem.Soc., 134, 2012
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4DFW
 | | Oxime-based Post Solid-phase Peptide Diversification: Identification of High Affinity Polo-like Kinase 1 (Plk1) Polo-box Domain Binding Peptides | | Descriptor: | CHLORIDE ION, Peptide, Serine/threonine-protein kinase PLK1 | | Authors: | Liu, F, Park, J.-E, Qian, W.-J, Lim, D, Gr ber, M, Berg, T, Yaffe, M.B, Lee, K.S, Burke Jr, T.R. | | Deposit date: | 2012-01-24 | | Release date: | 2012-03-28 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Oxime-based Post Solid-phase Peptide Diversification: Identification of High Affinity Polo-like Kinase 1 (Plk1) Polo-box Domain Binding Peptides
Chem.Biol., 2012
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8VJ7
 | | GluA2 bound to GYKI-52466 and Glutamate, Inhibited State 2 | | Descriptor: | 4-[(5S,8R)-8-methyl-6,7,8,9-tetrahydro-2H,5H-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl]aniline, GLUTAMIC ACID, Isoform Flip of Glutamate receptor 2 | | Authors: | Hale, W.D, Montano Romero, A, Huganir, R.L, Twomey, E.C. | | Deposit date: | 2024-01-05 | | Release date: | 2024-06-05 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (4.85 Å) | | Cite: | Allosteric competition and inhibition in AMPA receptors.
Nat.Struct.Mol.Biol., 2024
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