3OXZ
 
 | | Crystal structure of ABL kinase domain bound with a DFG-out inhibitor AP24534 | | Descriptor: | 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, Tyrosine-protein kinase ABL1 | | Authors: | Zhou, T, Huang, W.S, Wang, Y, Thomas, M, Keats, J, Xu, Q, Rivera, V, Shakespeare, W.C, Clackson, T, Dalgarno, D.C, Zhu, X. | | Deposit date: | 2010-09-22 | | Release date: | 2010-12-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Mechanism of the Pan-BCR-ABL Inhibitor Ponatinib (AP24534): Lessons for Overcoming Kinase Inhibitor Resistance.
Chem.Biol.Drug Des., 77, 2011
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1GR5
 | | Solution Structure of apo GroEL by Cryo-Electron microscopy | | Descriptor: | 60 KDA CHAPERONIN | | Authors: | Ranson, N.A, Farr, G.W, Roseman, A.M, Gowen, B, Fenton, W.A, Horwich, A.L, Saibil, H.R. | | Deposit date: | 2001-12-14 | | Release date: | 2002-01-28 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (7.9 Å) | | Cite: | ATP-Bound States of Groel Captured by Cryo-Electron Microscopy.
Cell(Cambridge,Mass.), 107, 2001
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5FL2
 | | Revisited cryo-EM structure of Inducible lysine decarboxylase complexed with LARA domain of RavA ATPase | | Descriptor: | ATPASE RAVA, LYSINE DECARBOXYLASE, INDUCIBLE | | Authors: | Kandiah, E, Carriel, D, Perard, J, Malet, H, Bacia, M, Liu, K, Chan, S.W.S, Houry, W.A, Ollagnier de Choudens, S, Elsen, S, Gutsche, I. | | Deposit date: | 2015-10-21 | | Release date: | 2016-09-21 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (6.2 Å) | | Cite: | Structural Insights Into the Escherichia Coli Lysine Decarboxylases and Molecular Determinants of Interaction with the Aaa+ ATPase Rava.
Sci.Rep., 6, 2016
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4EKZ
 | | Crystal structure of reduced hPDI (abb'xa') | | Descriptor: | Protein disulfide-isomerase | | Authors: | Wang, C, Li, W, Ren, J, Ke, H, Gong, W, Feng, W, Wang, C.-C. | | Deposit date: | 2012-04-10 | | Release date: | 2013-04-10 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Structural insights into the redox-regulated dynamic conformations of human protein disulfide isomerase
Antioxid Redox Signal, 19, 2013
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6WBZ
 | | Structure of Human HDAC2 in complex with an ethyl ketone inhibitor containing a spiro-bicyclic group | | Descriptor: | (1S)-N-{(1S)-7,7-dihydroxy-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]nonyl}-6-ethyl-6-azaspiro[2.5]octane-1-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Klein, D.J, Yu, W. | | Deposit date: | 2020-03-28 | | Release date: | 2020-05-06 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | Discovery of ethyl ketone-based HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation.
Bioorg.Med.Chem.Lett., 30, 2020
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1HBU
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1UL9
 | | CGL2 ligandfree | | Descriptor: | galectin-2 | | Authors: | Walser, P.J, Haebel, P.W, Kuenzler, M, Kues, U, Aebi, M, Ban, N. | | Deposit date: | 2003-09-12 | | Release date: | 2004-04-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Structure and Functional Analysis of the Fungal Galectin CGL2
STRUCTURE, 12, 2004
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6WBW
 | | Structure of Human HDAC2 in complex with an ethyl ketone inhibitor | | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, Histone deacetylase 2, ... | | Authors: | Klein, D.J, Yu, W. | | Deposit date: | 2020-03-27 | | Release date: | 2020-05-06 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Discovery of ethyl ketone-based HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation.
Bioorg.Med.Chem.Lett., 30, 2020
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4EL1
 | | Crystal structure of oxidized hPDI (abb'xa') | | Descriptor: | Protein disulfide-isomerase | | Authors: | Wang, C, Li, W, Ren, J, Ke, H, Gong, W, Feng, W, Wang, C.-C. | | Deposit date: | 2012-04-10 | | Release date: | 2013-04-10 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.883 Å) | | Cite: | Structural insights into the redox-regulated dynamic conformations of human protein disulfide isomerase
Antioxid Redox Signal, 19, 2013
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1ULC
 | | CGL2 in complex with lactose | | Descriptor: | beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, galectin-2 | | Authors: | Walser, P.J, Haebel, P.W, Kuenzler, M, Kues, U, Aebi, M, Ban, N. | | Deposit date: | 2003-09-12 | | Release date: | 2004-04-20 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure and Functional Analysis of the Fungal Galectin CGL2
STRUCTURE, 12, 2004
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1ULF
 | | CGL2 in complex with Blood Group A tetrasaccharide | | Descriptor: | alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, galectin-2 | | Authors: | Walser, P.J, Haebel, P.W, Kuenzler, M, Kues, U, Aebi, M, Ban, N. | | Deposit date: | 2003-09-12 | | Release date: | 2004-04-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Structure and Functional Analysis of the Fungal Galectin CGL2
STRUCTURE, 12, 2004
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1ULE
 | | CGL2 in complex with linear B2 trisaccharide | | Descriptor: | alpha-D-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, galectin-2 | | Authors: | Walser, P.J, Haebel, P.W, Kuenzler, M, Kues, U, Aebi, M, Ban, N. | | Deposit date: | 2003-09-12 | | Release date: | 2004-04-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structure and Functional Analysis of the Fungal Galectin CGL2
STRUCTURE, 12, 2004
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1ULD
 | | CGL2 in complex with blood group H type II | | Descriptor: | alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, galectin-2 | | Authors: | Walser, P.J, Haebel, P.W, Kuenzler, M, Kues, U, Aebi, M, Ban, N. | | Deposit date: | 2003-09-12 | | Release date: | 2004-04-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure and Functional Analysis of the Fungal Galectin CGL2
STRUCTURE, 12, 2004
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2XC4
 | | Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor | | Descriptor: | (3R,4R)-N-(4-CHLOROPHENYL)-N'-[2-FLUORO-4-(2-OXOPYRIDIN-1(2H)-YL)PHENYL]-1-(2,2,2-TRIFLUOROETHYL)PYRROLIDINE-3,4-DICARBOXAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | | Authors: | Banner, D.W, Benz, J, Schlatter, D, Thomi, S, Haap, W. | | Deposit date: | 2010-04-16 | | Release date: | 2010-08-04 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Discovery of a Factor Xa Inhibitor (3R,4R)-1-(2,2-Difluoro-Ethyl)-Pyrrolidine-3,4-Dicarboxylic Acid 3-[(5-Chloro-Pyridin-2-Yl)-Amide] 4-{[2-Fluoro-4-(2-Oxo-2H-Pyridin-1-Yl)-Phenyl]-Amide} as a Clinical Candidate.
Bioorg.Med.Chem., 20, 2010
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1ZR4
 | | Structure of a Synaptic gamma-delta Resolvase Tetramer Covalently linked to two Cleaved DNAs | | Descriptor: | AAA, TCAGTGTCCGATAATTTAT, TTATCGGACACTG, ... | | Authors: | Li, W, Kamtekar, S, Xiong, Y, Sarkis, G.J, Grindley, N.D, Steitz, T.A. | | Deposit date: | 2005-05-19 | | Release date: | 2005-08-30 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Structure of a synaptic gamma delta resolvase tetramer covalently linked to two cleaved DNAs.
Science, 309, 2005
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1ULG
 | | CGL2 in complex with Thomsen-Friedenreich antigen | | Descriptor: | beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose, galectin-2 | | Authors: | Walser, P.J, Haebel, P.W, Kuenzler, M, Kues, U, Aebi, M, Ban, N. | | Deposit date: | 2003-09-12 | | Release date: | 2004-04-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure and Functional Analysis of the Fungal Galectin CGL2
STRUCTURE, 12, 2004
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2XC0
 | | Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor | | Descriptor: | (3R,4R)-1-METHANESULFONYL-PYRROLIDINE-3,4--DICARBOXYLIC ACID 3-[(3-FLUORO-4-METHOXY-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE}, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | | Authors: | Banner, D.W, Benz, J, Schlatter, D, Anselm, L, Haap, W. | | Deposit date: | 2010-04-15 | | Release date: | 2010-08-04 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Discovery of a Factor Xa Inhibitor (3R,4R)-1-(2,2-Difluoro-Ethyl)-Pyrrolidine-3,4-Dicarboxylic Acid 3-[(5-Chloro-Pyridin-2-Yl)-Amide] 4-{[2-Fluoro-4-(2-Oxo-2H-Pyridin-1-Yl)-Phenyl]-Amide} as a Clinical Candidate.
Bioorg.Med.Chem., 20, 2010
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3HIJ
 | | Crystal structure of dihydrodipicolinate synthase from Bacillus anthracis in complex with its substrate, pyruvate | | Descriptor: | Dihydrodipicolinate synthase, GLYCEROL, SODIUM ION | | Authors: | Voss, J.E, Scally, S.W, Dobson, R.C.J, Perugini, M.A. | | Deposit date: | 2009-05-20 | | Release date: | 2009-11-24 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Substrate-mediated Stabilization of a Tetrameric Drug Target Reveals Achilles Heel in Anthrax.
J.Biol.Chem., 285, 2010
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6BPC
 | | Plasmodium vivax reticulocyte binding protein 2b (PvRBP2b) bound to monoclonal antibody 4F7 | | Descriptor: | Monoclonal antibody 4F7 Fab heavy chain, Monoclonal antibody 4F7 Fab light chain, Reticulocyte binding protein 2, ... | | Authors: | Gruszczyk, J, Chan, L.J, Tham, W.H. | | Deposit date: | 2017-11-22 | | Release date: | 2018-06-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | Cryo-EM structure of an essential Plasmodium vivax invasion complex.
Nature, 559, 2018
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6BPB
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1GYM
 | | PHOSPHATIDYLINOSITOL-SPECIFIC PHOSPHOLIPASE C IN COMPLEX WITH GLUCOSAMINE-(ALPHA-1-6)-MYO-INOSITOL | | Descriptor: | (1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside, PHOSPHATIDYLINOSITOL-SPECIFIC PHOSPHOLIPASE C | | Authors: | Heinz, D.W, Ryan, M, Smith, M.P, Weaver, L.H, Keana, J.F.W, Griffith, O.H. | | Deposit date: | 1996-05-02 | | Release date: | 1996-11-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of phosphatidylinositol-specific phospholipase C from Bacillus cereus in complex with glucosaminyl(alpha 1-->6)-D-myo-inositol, an essential fragment of GPI anchors.
Biochemistry, 35, 1996
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1YC6
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3HJD
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3FI5
 | | Crystal Structure of T4 Lysozyme Mutant R96W | | Descriptor: | CHLORIDE ION, ISOPROPYL ALCOHOL, Lysozyme, ... | | Authors: | Mooers, B.H.M, Matthews, B.W. | | Deposit date: | 2008-12-11 | | Release date: | 2009-02-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Contributions of all 20 amino acids at site 96 to the stability and structure of T4 lysozyme.
Protein Sci., 18, 2009
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1HOZ
 | | CRYSTAL STRUCTURE OF AN INOSINE-ADENOSINE-GUANOSINE-PREFERRING NUCLEOSIDE HYDROLASE FROM TRYPANOSOMA VIVAX | | Descriptor: | CALCIUM ION, GLYCEROL, INOSINE-ADENOSINE-GUANOSINE-PREFERRING NUCLEOSIDE HYDROLASE | | Authors: | Versees, W, Decanniere, K, Pelle, R, Depoorter, J, Parkin, D.W, Steyaert, J. | | Deposit date: | 2000-12-12 | | Release date: | 2001-12-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure and function of a novel purine specific nucleoside hydrolase from Trypanosoma vivax.
J.Mol.Biol., 307, 2001
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