6RWH
 
 | | Fragment AZ-007 binding at a primary and secondary binding site of the the p53pT387/14-3-3 sigma complex | | Descriptor: | 14-3-3 protein sigma, 5-(1~{H}-imidazol-5-yl)-4-phenyl-thiophene-2-carboximidamide, CALCIUM ION, ... | | Authors: | Leysen, S, Guillory, X, Wolter, M, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C. | | Deposit date: | 2019-06-05 | | Release date: | 2020-06-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
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5OO7
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7L1Q
 | | PS3 F1-ATPase Binding/TS Dwell | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase gamma chain, ... | | Authors: | Sobti, M, Ueno, H, Noji, H, Stewart, A.G. | | Deposit date: | 2020-12-15 | | Release date: | 2021-07-21 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | The six steps of the complete F 1 -ATPase rotary catalytic cycle.
Nat Commun, 12, 2021
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5OOI
 | | STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA') IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR 4P | | Descriptor: | 1,2-ETHANEDIOL, 4-(3-methylbut-2-enoxy)-5-propan-2-yl-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione, ACETATE ION, ... | | Authors: | Hochscherf, J, Lindenblatt, D, Witulski, B, Birus, R, Aichele, D, Marminon, C, Bouaziz, Z, Le Borgne, M, Jose, J, Niefind, K. | | Deposit date: | 2017-08-07 | | Release date: | 2017-12-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.998 Å) | | Cite: | Unexpected Binding Mode of a Potent Indeno[1,2-b]indole-Type Inhibitor of Protein Kinase CK2 Revealed by Complex Structures with the Catalytic Subunit CK2 alpha and Its Paralog CK2 alpha '.
Pharmaceuticals (Basel), 10, 2017
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7L1R
 | | PS3 F1-ATPase Hydrolysis Dwell | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase gamma chain, ... | | Authors: | Sobti, M, Ueno, H, Noji, H, Stewart, A.G. | | Deposit date: | 2020-12-15 | | Release date: | 2021-07-21 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | The six steps of the complete F 1 -ATPase rotary catalytic cycle.
Nat Commun, 12, 2021
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4YAS
 | | HYDROXYNITRILE LYASE COMPLEXED WITH CHLORALHYDRATE | | Descriptor: | PROTEIN (HYDROXYNITRILE LYASE), SULFATE ION, TRI-CHLORO-ACETALDEHYDE | | Authors: | Zuegg, J, Wagner, U.G, Gugganig, M, Kratky, C. | | Deposit date: | 1999-03-15 | | Release date: | 1999-10-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Three-dimensional structures of enzyme-substrate complexes of the hydroxynitrile lyase from Hevea brasiliensis.
Protein Sci., 8, 1999
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1S3H
 | | Propionibacterium shermanii transcarboxylase 5S subunit A59T | | Descriptor: | COBALT (II) ION, transcarboxylase 5S subunit | | Authors: | Hall, P.R, Zheng, R, Antony, L, Pusztai-Carey, M, Carey, P.R, Yee, V.C. | | Deposit date: | 2004-01-13 | | Release date: | 2004-09-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Transcarboxylase 5S structures: assembly and catalytic mechanism of a multienzyme complex subunit.
Embo J., 23, 2004
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6S7S
 | | Fumarate hydratase of Mycobacterium tuberculosis in complex with formate and allosteric modulator N-(2-Methoxy-5-(N-phenylsulfamoyl)phenyl)-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide | | Descriptor: | FORMIC ACID, Fumarate hydratase class II, ~{N}-[2-methoxy-5-(phenylsulfamoyl)phenyl]-2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)ethanamide | | Authors: | Whitehouse, A.J, Libardo, M.D, Kasbekar, M, Brear, P, Fischer, G, Thomas, C.J, Barry, C.E, Boshoff, H.I, Coyne, A.G, Abell, C. | | Deposit date: | 2019-07-05 | | Release date: | 2019-09-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Targeting of Fumarate Hydratase fromMycobacterium tuberculosisUsing Allosteric Inhibitors with a Dimeric-Binding Mode.
J.Med.Chem., 62, 2019
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1Y2T
 | | Crystal structure of the common edible mushroom (Agaricus bisporus) lectin | | Descriptor: | lectin | | Authors: | Carrizo, M.E, Capaldi, S, Perduca, M, Irazoqui, F.J, Nores, G.A, Monaco, H.L. | | Deposit date: | 2004-11-23 | | Release date: | 2004-12-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The Antineoplastic Lectin of the Common Edible Mushroom (Agaricus bisporus) Has Two Binding Sites, Each Specific for a Different Configuration at a Single Epimeric Hydroxyl
J.Biol.Chem., 280, 2005
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1S3Q
 | | Crystal structures of a novel open pore ferritin from the hyperthermophilic Archaeon Archaeoglobus fulgidus | | Descriptor: | ZINC ION, ferritin | | Authors: | Johnson, E, Cascio, D, Sawaya, M, Schroeder, I. | | Deposit date: | 2004-01-13 | | Release date: | 2005-04-12 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structures of a tetrahedral open pore ferritin from the hyperthermophilic archaeon Archaeoglobus fulgidus.
Structure, 13, 2005
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6RK3
 | | Solution structure of the ribosome Elongation Factor P (EF-P) from Staphylococcus aureus | | Descriptor: | Elongation factor P | | Authors: | Usachev, K, Fatkhullin, B, Gabdulkhakov, A, Khusainov, I, Golubev, A, Validov, S, Yusupova, G, Yusupov, M. | | Deposit date: | 2019-04-30 | | Release date: | 2020-03-11 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | NMR and crystallographic structural studies of the Elongation factor P from Staphylococcus aureus.
Eur.Biophys.J., 49, 2020
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1RIT
 | | Crystal structure of Peanut lectin in complex with meso-tetrasulphonatophenylporphyrin and lactose | | Descriptor: | 5,10,15,20-TETRAKIS(4-SULPFONATOPHENYL)-21H,23H-PORPHINE, CALCIUM ION, Galactose-binding lectin, ... | | Authors: | Goel, M, Kaur, K.J, Maiya, B.G, Swamy, M.J, Salunke, D.M. | | Deposit date: | 2003-11-17 | | Release date: | 2004-12-28 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Crystal structures of the PNA-porphyrin complex in the presence and absence of lactose: mapping the conformational changes on lactose binding, interacting surfaces, and supramolecular aggregations.
Biochemistry, 44, 2005
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5OVJ
 | | Structure of the apo form of Mycobacterium smegmatis MabA | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] reductase FabG, SULFATE ION | | Authors: | Kussau, T, Van Wyk, N, Viljoen, A, Olieric, V, Flipo, M, Kremer, L, Blaise, M. | | Deposit date: | 2017-08-29 | | Release date: | 2018-02-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural rearrangements occurring upon cofactor binding in the Mycobacterium smegmatis beta-ketoacyl-acyl carrier protein reductase MabA.
Acta Crystallogr D Struct Biol, 74, 2018
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7LVQ
 | | KIF14[391-743] - AMP-PNP closed state class in complex with a microtubule | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF14, ... | | Authors: | Benoit, M.P.M.H, Asenjo, A.B, Paydar, M, Dhakal, S, Kwok, B, Sosa, H. | | Deposit date: | 2021-02-26 | | Release date: | 2021-05-05 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural basis of mechano-chemical coupling by the mitotic kinesin KIF14.
Nat Commun, 12, 2021
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7LVR
 | | KIF14[391-743] - ADP-AlFx closed state class in complex with a microtubule | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Benoit, M.P.M.H, Asenjo, A.B, Paydar, M, Dhakal, S, Kwok, B, Sosa, H. | | Deposit date: | 2021-02-26 | | Release date: | 2021-05-05 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural basis of mechano-chemical coupling by the mitotic kinesin KIF14.
Nat Commun, 12, 2021
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3UID
 | | Crystal Structure of Protein Ms6760 from Mycobacterium smegmatis | | Descriptor: | Putative uncharacterized protein | | Authors: | Bajaj, R.A, Miallau, L, Cascio, D, Arbing, M, Eisenberg, D, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2011-11-04 | | Release date: | 2011-11-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.571 Å) | | Cite: | Crystal structure of the toxin Msmeg_6760, the structural homolog of Mycobacterium tuberculosis Rv2035, a novel type II toxin involved in the hypoxic response.
Acta Crystallogr F Struct Biol Commun, 72, 2016
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7LOX
 | | The structure of Agmatinase from E. Coli at 3.2 A displaying guanidine in the active site | | Descriptor: | Agmatinase, GUANIDINE, MANGANESE (II) ION | | Authors: | Maturana, P, Figueroa, M, Gonzalez-Ordenes, F, Villalobos, P, Martinez-Oyanedel, J, Uribe, E.A, Castro-Fernandez, V. | | Deposit date: | 2021-02-11 | | Release date: | 2021-05-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crystal Structure of Escherichia coli Agmatinase: Catalytic Mechanism and Residues Relevant for Substrate Specificity.
Int J Mol Sci, 22, 2021
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7LJX
 | | Oxidized rat cytochrome c mutant (K53Q) | | Descriptor: | Cytochrome c, somatic, HEME C, ... | | Authors: | Huttemann, M, Edwards, B.F.P, Brunzelle, J.S, Vaishnav, A. | | Deposit date: | 2021-02-01 | | Release date: | 2021-05-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Lysine 53 Acetylation of Cytochrome c in Prostate Cancer: Warburg Metabolism and Evasion of Apoptosis.
Cells, 10, 2021
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5NYA
 | | Carbonic Anhydrase II Inhibitor RA13 | | Descriptor: | Carbonic anhydrase 2, GLUTARIC ACID, ZINC ION, ... | | Authors: | Brynda, J, Rezacova, P, Horejsi, M, Fanfrlik, J. | | Deposit date: | 2017-05-11 | | Release date: | 2018-01-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes.
Chemphyschem, 19, 2018
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1RQB
 | | Propionibacterium shermanii transcarboxylase 5S subunit | | Descriptor: | COBALT (II) ION, transcarboxylase 5S subunit | | Authors: | Hall, P.R, Zheng, R, Antony, L, Pusztai-Carey, M, Carey, P.R, Yee, V.C. | | Deposit date: | 2003-12-04 | | Release date: | 2004-09-07 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Transcarboxylase 5S structures: assembly and catalytic mechanism of a multienzyme complex subunit.
Embo J., 23, 2004
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1Y2V
 | | Crystal structure of the common edible mushroom (Agaricus bisporus) lectin in complex with T-antigen | | Descriptor: | SERINE, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose, lectin | | Authors: | Carrizo, M.E, Capaldi, S, Perduca, M, Irazoqui, F.J, Nores, G.A, Monaco, H.L. | | Deposit date: | 2004-11-23 | | Release date: | 2004-12-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Antineoplastic Lectin of the Common Edible Mushroom (Agaricus bisporus) Has Two Binding Sites, Each Specific for a Different Configuration at a Single Epimeric Hydroxyl
J.Biol.Chem., 280, 2005
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7LOL
 | | The structure of Agmatinase from E. Coli at 1.8 A displaying urea and agmatine | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AGMATINE, Agmatinase, ... | | Authors: | Maturana, P, Figueroa, M, Gonzalez-Ordenes, F, Villalobos, P, Martinez-Oyanedel, J, Uribe, E.A, Castro-Fernandez, V. | | Deposit date: | 2021-02-10 | | Release date: | 2021-05-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of Escherichia coli Agmatinase: Catalytic Mechanism and Residues Relevant for Substrate Specificity.
Int J Mol Sci, 22, 2021
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3JA9
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3JAA
 | | HUMAN DNA POLYMERASE ETA in COMPLEX WITH NORMAL DNA AND INCO NUCLEOTIDE (NRM) | | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, DNA (5'-D(*T*CP*AP*TP*TP*AP*TP*GP*AP*CP*GP*CP*T)-3, DNA (5'-D(*TP*AP*GP*CP*GP*TP*CP*AP*T)-3'), ... | | Authors: | Lau, W.C.Y, Li, Y, Zhang, Q, Huen, M.S.Y. | | Deposit date: | 2015-05-19 | | Release date: | 2015-12-23 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (22 Å) | | Cite: | Molecular architecture of the Ub-PCNA/Pol eta complex bound to DNA
Sci Rep, 5, 2015
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6TPB
 | | NMR structure of the apo-form of Pseudomonas fluorescens CopC | | Descriptor: | Putative copper resistance protein | | Authors: | Persson, K.C, Mayzel, M, Karlsson, B.G, Peciulyte, A, Olsson, L, Wittung Stafshede, P, Salomon Johansen, K, Horvath, I. | | Deposit date: | 2019-12-13 | | Release date: | 2021-01-13 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | NMR structure of Pseudomonas fluorescens CopC
To Be Published
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