2CDZ
 
 | | CRYSTAL STRUCTURE OF THE HUMAN P21-ACTIVATED KINASE 4 IN COMPLEX WITH CGP74514A | | Descriptor: | CHLORIDE ION, N2-[(1R,2S)-2-AMINOCYCLOHEXYL]-N6-(3-CHLOROPHENYL)-9-ETHYL-9H-PURINE-2,6-DIAMINE, SERINE/THREONINE-PROTEIN KINASE PAK 4, ... | | Authors: | Debreczeni, J.E, Ugochukwu, E, Eswaran, J, Filippakopoulos, P, Das, S, Fedorov, O, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, von Delft, F, Knapp, S. | | Deposit date: | 2006-01-31 | | Release date: | 2006-02-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structures of the P21-Activated Kinases Pak4, Pak5, and Pak6 Reveal Catalytic Domain Plasticity of Active Group II Paks.
Structure, 15, 2007
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3MNR
 | | Crystal Structure of Benzamide SNX-1321 bound to Hsp90 | | Descriptor: | 2-[(3,4,5-trimethoxyphenyl)amino]-4-(2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide, Heat shock protein HSP 90-alpha | | Authors: | Veal, J.M, Fadden, P, Huang, K.H, Rice, J, Hall, S.E, Haytstead, T.A. | | Deposit date: | 2010-04-22 | | Release date: | 2010-08-11 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Application of Chemoproteomics to Drug Discovery: Identification of a Clinical Candidate Targeting Hsp90.
Chem.Biol., 17, 2010
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1XYF
 | | ENDO-1,4-BETA-XYLANASE FROM STREPTOMYCES OLIVACEOVIRIDIS | | Descriptor: | ENDO-1,4-BETA-XYLANASE | | Authors: | Fujimoto, Z, Mizuno, H, Kuno, A, Kusakabe, I. | | Deposit date: | 1999-05-11 | | Release date: | 2000-05-10 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of Streptomyces olivaceoviridis E-86 beta-xylanase containing xylan-binding domain.
J.Mol.Biol., 300, 2000
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1NW9
 | | STRUCTURE OF CASPASE-9 IN AN INHIBITORY COMPLEX WITH XIAP-BIR3 | | Descriptor: | Baculoviral IAP repeat-containing protein 4, ZINC ION, caspase 9, ... | | Authors: | Shiozaki, E.N, Chai, J, Rigotti, D.J, Riedl, S.J, Li, P, Srinivasula, S.M, Alnemri, E.S, Fairman, R, Shi, Y. | | Deposit date: | 2003-02-05 | | Release date: | 2003-03-25 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Mechanism of XIAP-Mediated Inhibition of Caspase-9
Mol.Cell, 11, 2003
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5LF2
 | | Crystal structure of laminin beta2 LE5-LF-LE6 | | Descriptor: | CALCIUM ION, CHLORIDE ION, Laminin subunit beta-2 | | Authors: | Pulido, D, Hohenester, E. | | Deposit date: | 2016-06-30 | | Release date: | 2016-07-27 | | Last modified: | 2017-03-08 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystallographic analysis of the laminin beta 2 short arm reveals how the LF domain is inserted into a regular array of LE domains.
Matrix Biol., 57-58, 2017
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5I6E
 | | Crystal structure of the central domain of yeast acetyl-CoA carboxylase | | Descriptor: | Acetyl-CoA carboxylase, MALONATE ION | | Authors: | Hunkeler, M, Stuttfeld, E, Hagmann, A, Imseng, S, Maier, T. | | Deposit date: | 2016-02-16 | | Release date: | 2016-04-20 | | Last modified: | 2016-04-27 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The dynamic organization of fungal acetyl-CoA carboxylase.
Nat Commun, 7, 2016
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3MFD
 | | The Structure of the Beta-lactamase superfamily domain of D-alanyl-D-alanine carboxypeptidase from Bacillus subtilis | | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, D-alanyl-D-alanine carboxypeptidase dacB | | Authors: | Cuff, M.E, Rakowski, E, Buck, K, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2010-04-01 | | Release date: | 2010-05-19 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The Structure of the Beta-lactamase superfamily domain of D-alanyl-D-alanine carboxypeptidase from Bacillus subtilis.
TO BE PUBLISHED
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2O6T
 | | Crystal structure of the PA5185 protein from Pseudomonas Aeruginosa strain PAO1- orthorhombic form (P2221). | | Descriptor: | CHLORIDE ION, THIOESTERASE | | Authors: | Chruszcz, M, Koclega, K.D, Evdokimova, E, Cymborowski, M, Kudritska, M, Savchenko, A, Edwards, A, Minor, W. | | Deposit date: | 2006-12-08 | | Release date: | 2007-12-11 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Function-biased choice of additives for optimization of protein crystallization - the case of the putative thioesterase PA5185 from Pseudomonas aeruginosa PAO1.
Cryst.Growth Des., 8, 2008
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1XFB
 | | Human Brain Fructose 1,6-(bis)phosphate Aldolase (C isozyme) | | Descriptor: | Aldolase C | | Authors: | Arakaki, T.L, Pezza, J.A, Cronin, M.A, Hopkins, C.E, Zimmer, D.B, Tolan, D.R, Allen, K.N. | | Deposit date: | 2004-09-14 | | Release date: | 2005-02-08 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure of human brain fructose 1,6-(bis)phosphate aldolase: linking isozyme structure with function
Protein Sci., 13, 2004
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2K1P
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1D44
 | | DNA DODECAMER C-G-C-G-A-A-T-T-C-G-C-G/HOECHST 33258 COMPLEX: 0 DEGREES C, PIPERAZINE DOWN | | Descriptor: | 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION | | Authors: | Quintana, J.R, Lipanov, A.A, Dickerson, R.E. | | Deposit date: | 1991-06-04 | | Release date: | 1992-04-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Low-temperature crystallographic analyses of the binding of Hoechst 33258 to the double-helical DNA dodecamer C-G-C-G-A-A-T-T-C-G-C-G.
Biochemistry, 30, 1991
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5FOL
 | | Crystal structure of the Cryptosporidium muris cytosolic leucyl-tRNA synthetase editing domain complex with a post-transfer editing analogue of isoeucine (Ile2AA) | | Descriptor: | 2'-(L-ISOLEUCYL)AMINO-2'-DEOXYADENOSINE, LEUCYL-TRNA SYNTHETASE, PHOSPHATE ION | | Authors: | Palencia, A, Liu, R.J, Lukarska, M, Gut, J, Bougdour, A, Touquet, B, Wang, E.D, Alley, M.R.K, Rosenthal, P.J, Hakimi, M.A, Cusack, S. | | Deposit date: | 2015-11-24 | | Release date: | 2016-08-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Cryptosporidium and Toxoplasma Parasites are Inhibited by a Benzoxaborole Targeting Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
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5LER
 | | Structure of the bacterial sex F pilus (13.2 Angstrom rise) | | Descriptor: | Pilin, [(2~{S})-3-[[(2~{R})-2,3-bis(oxidanyl)propoxy]-oxidanyl-phosphoryl]oxy-2-hexadec-9-enoyloxy-propyl] hexadecanoate | | Authors: | Costa, T.R.D, Ilangovan, I, Ukleja, M, Redzej, A, Santini, J.M, Smith, T.K, Egelman, E.H, Waksman, G. | | Deposit date: | 2016-06-30 | | Release date: | 2016-11-02 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (5 Å) | | Cite: | Structure of the Bacterial Sex F Pilus Reveals an Assembly of a Stoichiometric Protein-Phospholipid Complex.
Cell, 166, 2016
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1CIK
 | | RECOMBINANT SPERM WHALE MYOGLOBIN I99A MUTANT (MET) | | Descriptor: | PROTEIN (MYOGLOBIN), PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | Liong, E.C, Phillips Jr, G.N. | | Deposit date: | 1999-04-01 | | Release date: | 1999-04-09 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Waterproofing the heme pocket. Role of proximal amino acid side chains in preventing hemin loss from myoglobin.
J.Biol.Chem., 276, 2001
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5LFJ
 | | Crystal Structure of the Bacterial Proteasome Activator Bpa of Mycobacterium tuberculosis | | Descriptor: | Bacterial proteasome activator | | Authors: | Bolten, M, Delley, C.L, Leibundgut, M, Boehringer, D, Ban, N, Weber-Ban, E. | | Deposit date: | 2016-07-01 | | Release date: | 2016-11-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural Analysis of the Bacterial Proteasome Activator Bpa in Complex with the 20S Proteasome.
Structure, 24, 2016
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5FGD
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5LH9
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5F7U
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3ZLN
 | | Crystal structure of BCL-XL in complex with inhibitor (Compound 3) | | Descriptor: | 1,2-ETHANEDIOL, 6-[(8E)-8-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7-dihydro-5H-naphthalen-2-yl]pyridine-2-carboxylic acid, BCL-2-LIKE PROTEIN 1, ... | | Authors: | Czabotar, P.E, Lessene, G.L, Smith, B.J, Colman, P.M. | | Deposit date: | 2013-02-04 | | Release date: | 2013-04-24 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.288 Å) | | Cite: | Structure-Guided Design of a Selective Bcl-Xl Inhibitor
Nat.Chem.Biol., 9, 2013
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5LG5
 | | Crystal structure of allantoin racemase from Pseudomonas fluorescens AllR | | Descriptor: | Allantoin racemase | | Authors: | Cendron, l, Zanotti, G, Percudani, R, Ragazzina, I, Puggioni, V, Maccacaro, E, Liuzzi, A, Secchi, A. | | Deposit date: | 2016-07-06 | | Release date: | 2017-05-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Structure and Function of a Microbial Allantoin Racemase Reveal the Origin and Conservation of a Catalytic Mechanism.
Biochemistry, 55, 2016
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2JEB
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1MXX
 | | crystal titration experiments (AMPA co-crystals soaked in 100 uM BrW) | | Descriptor: | GLUTAMATE RECEPTOR 2, ZINC ION | | Authors: | Jin, R, Gouaux, E. | | Deposit date: | 2002-10-03 | | Release date: | 2003-06-10 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Probing the Function, Conformational Plasticity, and Dimer-Dimer Contacts of the GluR2 Ligand-Binding Core: Studies of 5-Substituted Willardiines and GluR2 S1S2 in the Crystal
Biochemistry, 42, 2003
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6BQD
 | | TAF1-BD2 bromodomain in complex with (E)-3-(6-(but-2-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)-N,N-dimethylbenzamide | | Descriptor: | 3-{6-[(2E)-but-2-en-1-yl]-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl}-N,N-dimethylbenzamide, Transcription initiation factor TFIID subunit 1 | | Authors: | Murray, J.M, Tang, Y. | | Deposit date: | 2017-11-27 | | Release date: | 2019-02-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.136 Å) | | Cite: | Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison.
J. Comput. Aided Mol. Des., 33, 2019
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1MY8
 | | AmpC beta-lactamase in complex with an M.carboxyphenylglycylboronic acid bearing the cephalothin R1 side chain | | Descriptor: | (1R)-1-(2-THIENYLACETYLAMINO)-1-PHENYLMETHYLBORONIC ACID, PHOSPHATE ION, beta-lactamase | | Authors: | Morandi, F, Caselli, E, Morandi, S, Focia, P.J, Blazquez, J, Shoichet, B.K, Prati, F. | | Deposit date: | 2002-10-03 | | Release date: | 2003-03-04 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Nanomolar inhibitors of AmpC beta-lactamase.
J.Am.Chem.Soc., 125, 2003
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6BTZ
 | | Crystal structure of the PI3KC2alpha C2 domain in space group C121 | | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, GLYCEROL, Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha, ... | | Authors: | Chen, K.-E, Collins, B.M. | | Deposit date: | 2017-12-08 | | Release date: | 2018-10-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Molecular Basis for Membrane Recruitment by the PX and C2 Domains of Class II Phosphoinositide 3-Kinase-C2 alpha.
Structure, 26, 2018
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