3BF6
 
 | | Thrombin:suramin complex | | Descriptor: | 8,8'-[CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(4-METHYL-3,1-PHENYLENE)CARBONYLIMINO]]BIS-1,3,5-NAPHTHALENETRISULFON IC ACID, PHE-PRO-ARG, Thrombin, ... | | Authors: | Lima, L.M.T.R, Polikarpov, I, Monteiro, R.Q. | | Deposit date: | 2007-11-20 | | Release date: | 2007-12-25 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural and thermodynamic analysis of thrombin:suramin interaction in solution and crystal phases.
Biochim.Biophys.Acta, 1794, 2009
|
|
2VT0
 | | X-ray structure of a conjugate with conduritol-beta-epoxide of acid-beta-glucosidase overexpressed in cultured plant cells | | Descriptor: | (1R,2R,3S,4S,5S,6S)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL, GLUCOSYLCERAMIDASE, SULFATE ION, ... | | Authors: | Brumshtein, B, Greenblatt, H.M, Shaaltiel, Y, Aviezer, D, Silman, I, Futerman, A.H, Sussman, J.L. | | Deposit date: | 2008-05-03 | | Release date: | 2008-09-23 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Acid Beta-Glucosidase: Insights from Structural Analysis and Relevance to Gaucher Disease Therapy.
Biol.Chem., 389, 2008
|
|
3MK2
 | | Placental alkaline phosphatase complexed with Phe | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Alkaline phosphatase, ... | | Authors: | Stec, B, Cheltsov, A, Millan, J.L. | | Deposit date: | 2010-04-13 | | Release date: | 2011-01-19 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Refined structures of placental alkaline phosphatase show a consistent pattern of interactions at the peripheral site.
Acta Crystallogr.,Sect.F, 66, 2010
|
|
3NPC
 | | Crystal structure of JNK2 complexed with BIRB796 | | Descriptor: | 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA, Mitogen-activated protein kinase 9 | | Authors: | Kuglstatter, A, Ghate, M. | | Deposit date: | 2010-06-28 | | Release date: | 2010-08-11 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | X-ray crystal structure of JNK2 complexed with the p38alpha inhibitor BIRB796: Insights into the rational design of DFG-out binding MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
|
|
4ACY
 | | Selenomethionine derivative of the GH99 endo-alpha-mannosidase from Bacteroides thetaiotaomicron | | Descriptor: | ENDO-ALPHA-MANNOSIDASE, FORMIC ACID, GLYCEROL | | Authors: | Thompson, A.J, Williams, R.J, Hakki, Z, Alonzi, D.S, Wennekes, T, Gloster, T.M, Songsrirote, K, Thomas-Oates, J.E, Wrodnigg, T.M, Spreitz, J, Stuetz, A.E, Butters, T.D, Williams, S.J, Davies, G.J. | | Deposit date: | 2011-12-21 | | Release date: | 2012-02-01 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Structural and Mechanistic Insight Into N-Glycan Processing by Endo-Alpha-Mannosidase.
Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
5D63
 | | MOA-Z-VAD-fmk inhibitor complex, direct/inverted dual orientation | | Descriptor: | 1,2-ETHANEDIOL, Agglutinin, CALCIUM ION, ... | | Authors: | Cordara, G, Krengel, U. | | Deposit date: | 2015-08-11 | | Release date: | 2016-03-02 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | An Unusual Member of the Papain Superfamily: Mapping the Catalytic Cleft of the Marasmius oreades agglutinin (MOA) with a Caspase Inhibitor.
Plos One, 11, 2016
|
|
4O2A
 | | Tubulin-BAL27862 complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[(4-{1-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl}-1,2,5-oxadiazol-3-yl)amino]propanenitrile, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Prota, A.E, Franck, D, Bachmann, F, Bargsten, K, Buey, R.M, Pohlmann, J, Reinelt, S, Lane, H, Steinmetz, M.O. | | Deposit date: | 2013-12-17 | | Release date: | 2014-03-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The Novel Microtubule-Destabilizing Drug BAL27862 Binds to the Colchicine Site of Tubulin with Distinct Effects on Microtubule Organization.
J.Mol.Biol., 426, 2014
|
|
7XMA
 | | Crystal structure of Bovine heart cytochrome c oxidase, apo structure with DMSO | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | | Authors: | Nishida, Y, Shinzawa-Itoh, K, Mizuno, N, Kumasaka, T, Yoshikawa, S, Tsukihara, T, Takashima, S, Shintani, Y. | | Deposit date: | 2022-04-25 | | Release date: | 2022-12-21 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Identifying antibiotics based on structural differences in the conserved allostery from mitochondrial heme-copper oxidases.
Nat Commun, 13, 2022
|
|
1ZG4
 | | TEM1 beta lactamase | | Descriptor: | Beta-lactamase TEM | | Authors: | Stec, B, Holtz, K.M, Wojciechowski, C.L, Kantrowitz, E.R. | | Deposit date: | 2005-04-20 | | Release date: | 2005-05-17 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structure of the wild-type TEM-1 beta-lactamase at 1.55 A and the mutant enzyme Ser70Ala at 2.1 A suggest the mode of noncovalent catalysis for the mutant enzyme.
Acta Crystallogr.,Sect.D, 61, 2005
|
|
3BDM
 | | yeast 20S proteasome:glidobactin A-complex | | Descriptor: | (2E,4E)-N-[(2S,3R)-3-hydroxy-1-[[(3Z,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]-1-ox obutan-2-yl]dodeca-2,4-dienamide, Proteasome component C1, Proteasome component C11, ... | | Authors: | Groll, M, Dudler, R, Kaiser, M. | | Deposit date: | 2007-11-15 | | Release date: | 2008-04-08 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | A plant pathogen virulence factor inhibits the eukaryotic proteasome by a novel mechanism
Nature, 452, 2008
|
|
3BBY
 | |
2OCS
 | | The crystal structure of the first PDZ domain of human NHERF-2 (SLC9A3R2) | | Descriptor: | 1,2-ETHANEDIOL, Na(+)/H(+) exchange regulatory cofactor NHE-RF2, THIOCYANATE ION | | Authors: | Papagrigoriou, E, Phillips, C, Gileadi, C, Elkins, J, Salah, E, Berridge, G, Savitsky, P, Gorrec, F, Umeano, C, Ugochukwu, E, Gileadi, O, Burgess, N, Edwards, A, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-12-21 | | Release date: | 2007-01-16 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The crystal structure of the first PDZ domain of human NHERF-2 (SLC9A3R2)
To be Published
|
|
3GHM
 | | Crystal structure of the exosite-containing fragment of human ADAMTS13 (form-1) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, A disintegrin and metalloproteinase with thrombospondin motifs 13, ... | | Authors: | Akiyama, M, Takeda, S, Kokame, K, Takagi, J, Miyata, T. | | Deposit date: | 2009-03-04 | | Release date: | 2009-10-27 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structures of the non-catalytic domains of ADAMTS13 reveal multiple discontinuous exosites for von Willebrand factor
To be Published
|
|
7X36
 | | Crystal Structure of hetero-Diels-Alderase EupfF | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhou, J, Lu, J. | | Deposit date: | 2022-02-28 | | Release date: | 2023-04-05 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Calcium-dependent glycosylated enzyme in the tandem hetero-Diels-Alder reaction
To Be Published
|
|
4NY9
 | | Crystal Structure Of the Human PXR-LBD In Complex With N-{(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-3-hydroxy-3-methylbutanamide | | Descriptor: | GLYCEROL, N-{(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-3-hydroxy-3-methylbutanamide, Nuclear receptor subfamily 1 group I member 2 | | Authors: | Khan, J.A, Camac, D.M. | | Deposit date: | 2013-12-10 | | Release date: | 2014-08-27 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery of the CCR1 antagonist, BMS-817399, for the treatment of rheumatoid arthritis.
J.Med.Chem., 57, 2014
|
|
2W63
 | |
3O6M
 | | Anti-Tat HIV 11H6H1 Fab' complexed with a 9-mer Tat peptide | | Descriptor: | 11H6H1 Fab' heavy chain, 11H6H1 Fab' light chain, Protein Tat 9-mer peptide | | Authors: | Serriere, J, Gouet, P, Guillon, C. | | Deposit date: | 2010-07-29 | | Release date: | 2010-11-10 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Fab'-induced folding of antigenic N-terminal peptides from intrinsically disordered HIV-1 Tat revealed by X-ray crystallography.
J.Mol.Biol., 405, 2011
|
|
1WKY
 | | Crystal structure of alkaline mannanase from Bacillus sp. strain JAMB-602: catalytic domain and its Carbohydrate Binding Module | | Descriptor: | CALCIUM ION, CHLORIDE ION, SODIUM ION, ... | | Authors: | Akita, M, Takeda, N, Hirasawa, K, Sakai, H, Kawamoto, M, Yamamoto, M, Grant, W.D, Hatada, Y, Ito, S, Horikoshi, K. | | Deposit date: | 2004-06-15 | | Release date: | 2005-06-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystallization and preliminary X-ray study of alkaline mannanase from an alkaliphilic Bacillus isolate.
Acta Crystallogr.,Sect.D, 60, 2004
|
|
1AIS
 | | TATA-BINDING PROTEIN/TRANSCRIPTION FACTOR (II)B/TATA-BOX COMPLEX FROM PYROCOCCUS WOESEI | | Descriptor: | DNA (5'-D(*AP*AP*CP*TP*TP*AP*CP*TP*TP*TP*(5IU)P*(5IU)P*AP*AP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*TP*TP*AP*AP*AP*AP*AP*GP*TP*AP*AP*GP*TP*T )-3'), PROTEIN (TATA-BINDING PROTEIN), ... | | Authors: | Kosa, P.F, Ghosh, G, Dedecker, B.S, Sigler, P.B. | | Deposit date: | 1997-04-24 | | Release date: | 1997-07-07 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The 2.1-A crystal structure of an archaeal preinitiation complex: TATA-box-binding protein/transcription factor (II)B core/TATA-box.
Proc.Natl.Acad.Sci.USA, 94, 1997
|
|
3AZS
 | | Diverse Substrates Recognition Mechanism Revealed by Thermotoga maritima Cel5A Structures in Complex with Mannotriose | | Descriptor: | Endoglucanase, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-alpha-D-mannopyranose | | Authors: | Wu, T.H, Huang, C.H, Ko, T.P, Lai, H.L, Ma, Y, Chen, C.C, Cheng, Y.S, Liu, J.R, Guo, R.T. | | Deposit date: | 2011-05-30 | | Release date: | 2011-08-10 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Diverse substrate recognition mechanism revealed by Thermotoga maritima Cel5A structures in complex with cellotetraose, cellobiose and mannotriose
Biochim.Biophys.Acta, 1814, 2011
|
|
5Z7O
 | | SmChiA sliding-intermediate with chitotetraose | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase A, GLYCEROL | | Authors: | Nakamura, A, Iino, R. | | Deposit date: | 2018-01-30 | | Release date: | 2018-09-26 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Processive chitinase is Brownian monorail operated by fast catalysis after peeling rail from crystalline chitin.
Nat Commun, 9, 2018
|
|
1RD9
 | | Cholera Toxin B-Pentamer Complexed With Bivalent Nitrophenol-Galactoside Ligand BV2 | | Descriptor: | 1,3-BIS-([3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-BENZOYLAMINO]-PROPYL}-PIPERAZIN-1-YL)-PROPYL-AMINO]-CARBONYLOXY)-2-AMINO-PROPANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, HEXAETHYLENE GLYCOL, ... | | Authors: | Pickens, J.C, Mitchell, D.D, Liu, J, Tan, X, Zhang, Z, Verlinde, C.L, Hol, W.G, Fan, E. | | Deposit date: | 2003-11-05 | | Release date: | 2004-10-26 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Nonspanning bivalent ligands as improved surface receptor binding inhibitors of the cholera toxin B pentamer.
Chem.Biol., 11, 2004
|
|
4AFA
 | | Crystal Structure of subtype-switched Epithelial Adhesin 1 to 2 A domain (Epa1to2A) from Candida glabrata in complex with glycerol | | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, EPA1P, ... | | Authors: | Maestre-Reyna, M, Diderrich, R, Veelders, M.S, Eulenburg, G, Kalugin, V, Brueckner, S, Keller, P, Rupp, S, Moesch, H.-U, Essen, L.-O. | | Deposit date: | 2012-01-18 | | Release date: | 2012-10-17 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural Basis for Promiscuity and Specificity During Candida Glabrata Invasion of Host Epithelia.
Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
1ALW
 | | INHIBITOR AND CALCIUM BOUND DOMAIN VI OF PORCINE CALPAIN | | Descriptor: | 3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID, CALCIUM ION, CALPAIN | | Authors: | Narayana, S.V.L, Lin, G. | | Deposit date: | 1997-06-04 | | Release date: | 1998-06-10 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Crystal structure of calcium bound domain VI of calpain at 1.9 A resolution and its role in enzyme assembly, regulation, and inhibitor binding.
Nat.Struct.Biol., 4, 1997
|
|
1LBT
 | | LIPASE (E.C.3.1.1.3) (TRIACYLGLYCEROL HYDROLASE) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LIPASE B, METHYLPENTA(OXYETHYL) HEPTADECANOATE | | Authors: | Uppenberg, J, Jones, T.A. | | Deposit date: | 1995-07-11 | | Release date: | 1995-10-15 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystallographic and molecular-modeling studies of lipase B from Candida antarctica reveal a stereospecificity pocket for secondary alcohols.
Biochemistry, 34, 1995
|
|
