2A31
 
 | | Trypsin in complex with borate | | Descriptor: | BORATE ION, CALCIUM ION, GUANIDINE-3-PROPANOL, ... | | Authors: | Transue, T.R, Gabel, S.A, London, R.E. | | Deposit date: | 2005-06-23 | | Release date: | 2006-07-04 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | NMR and crystallographic characterization of adventitious borate binding by trypsin.
Bioconjug.Chem., 17, 2006
|
|
2A32
 | | Trypsin in complex with benzene boronic acid | | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, BORATE ION, CALCIUM ION, ... | | Authors: | Transue, T.R, Gabel, S.A, London, R.E. | | Deposit date: | 2005-06-23 | | Release date: | 2006-07-04 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | NMR and crystallographic characterization of adventitious borate binding by trypsin.
Bioconjug.Chem., 17, 2006
|
|
4JTO
 | |
3JZI
 | | Crystal structure of biotin carboxylase from E. Coli in complex with benzimidazole series | | Descriptor: | 7-amino-2-[(2-chlorobenzyl)amino]-1-{[(1S,2S)-2-hydroxycycloheptyl]methyl}-1H-benzimidazole-5-carboxamide, Biotin carboxylase | | Authors: | Cheng, C, Shipps, G.W, Yang, Z, Sun, B, Kawahata, N, Soucy, K, Soriano, A, Orth, P, Xiao, L, Mann, P, Black, T. | | Deposit date: | 2009-09-23 | | Release date: | 2009-11-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Discovery and optimization of antibacterial AccC inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
|
|
2RJ6
 | |
4L5W
 | | Structural implications of the secondary CO2 binding pocket in human carbonic anhydrase II | | Descriptor: | Carbonic anhydrase 2, GLYCEROL, ZINC ION | | Authors: | Boone, C.D, Gill, S, McKenna, R. | | Deposit date: | 2013-06-11 | | Release date: | 2014-04-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural, catalytic and stabilizing consequences of aromatic cluster variants in human carbonic anhydrase II.
Arch.Biochem.Biophys., 539, 2013
|
|
1Y5B
 | | Dianhydrosugar-based benzamidine, factor Xa specific inhibitor in complex with bovine trypsin mutant | | Descriptor: | 2,5-BIS-O-{4-[AMINO(IMINO)METHYL]PHENYL}-1,4:3,6-DIANHYDRO-D-GLUCITOL, CALCIUM ION, IMIDAZOLE, ... | | Authors: | Di Fenza, A, Heine, A, Klebe, G. | | Deposit date: | 2004-12-02 | | Release date: | 2005-12-13 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Understanding binding selectivity toward trypsin and factor Xa: the role of aromatic interactions
Chemmedchem, 2, 2007
|
|
2A2I
 | | Aquifex aeolicus KDO8PS in complex with PEP, A5P, Zn2+ | | Descriptor: | 2-dehydro-3-deoxyphosphooctonate aldolase, ARABINOSE-5-PHOSPHATE, PHOSPHOENOLPYRUVATE, ... | | Authors: | Kona, F, Xu, X, Lu, J, Martin, P, Gatti, D.L. | | Deposit date: | 2005-06-22 | | Release date: | 2006-07-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Electronic structure of the metal center in the Cd(2+), Zn(2+), and Cu(2+) substituted forms of KDO8P synthase: implications for catalysis.
Biochemistry, 48, 2009
|
|
4HWE
 | |
2RJ5
 | |
1EN7
 | | ENDONUCLEASE VII (ENDOVII) FROM PHAGE T4 | | Descriptor: | CALCIUM ION, RECOMBINATION ENDONUCLEASE VII, ZINC ION | | Authors: | Raaijmakers, H, Vix, O, Toro, I, Suck, D. | | Deposit date: | 1999-02-07 | | Release date: | 2000-02-07 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | X-ray structure of T4 endonuclease VII: a DNA junction resolvase with a novel fold and unusual domain-swapped dimer architecture.
EMBO J., 18, 1999
|
|
4L5U
 | | The structural implications of the secondary CO2 binding pocket in human carbonic anhydrase II | | Descriptor: | Carbonic anhydrase 2, GLYCEROL, ZINC ION | | Authors: | Boone, C.D, Gill, S, McKenna, R. | | Deposit date: | 2013-06-11 | | Release date: | 2014-04-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural, catalytic and stabilizing consequences of aromatic cluster variants in human carbonic anhydrase II.
Arch.Biochem.Biophys., 539, 2013
|
|
2ANP
 | | Functional Glutamate 151 to Histidine mutant of the aminopeptidase from Aeromonas Proteolytica. | | Descriptor: | SODIUM ION, ZINC ION, leucyl aminopeptidase | | Authors: | Bzymek, K.P, Moulin, A, Swierczek, S.I, Ringe, D, Petsko, G.A, Holz, R.C. | | Deposit date: | 2005-08-11 | | Release date: | 2005-10-04 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Kinetic, Spectroscopic, and X-ray Crystallographic Characterization of the Functional E151H Aminopeptidase from Aeromonas proteolytica.
Biochemistry, 44, 2005
|
|
3WFF
 | | Mineralocorticoid receptor ligand-binding domain with compound 2b | | Descriptor: | 6-[4-(2,4-difluorophenyl)-5-oxo-2,5-dihydrofuran-3-yl]-2H-1,4-benzoxazin-3(4H)-one, Mineralocorticoid receptor, PHOSPHATE ION | | Authors: | Sogabe, S, Habuka, N. | | Deposit date: | 2013-07-19 | | Release date: | 2013-08-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Design, synthesis, and structure-activity relationships of dihydrofuran-2-one and dihydropyrrol-2-one derivatives as novel benzoxazin-3-one-based mineralocorticoid receptor antagonists.
Bioorg.Med.Chem., 21, 2013
|
|
4GSR
 | | Structural basis for the inhibition of Mycobacterium tuberculosis L,D-transpeptidase by meropenem, a drug effective against extensively drug-resistant strains | | Descriptor: | 2-(ETHYLMERCURI-THIO)-BENZOIC ACID, GLYCEROL, Probable conserved lipoprotein LPPS | | Authors: | Kim, H.S, Kim, J, Im, H.N, Yoon, J.Y, An, D.R, Yoon, H.J, Kim, J.Y, Min, H.K, Kim, S.-J, Lee, J.Y, Han, B.W, Suh, S.W. | | Deposit date: | 2012-08-28 | | Release date: | 2013-02-27 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Structural basis for the inhibition of Mycobacterium tuberculosis L,D-transpeptidase by meropenem, a drug effective against extensively drug-resistant strains
Acta Crystallogr.,Sect.D, 69, 2013
|
|
1YPU
 | |
3CXO
 | | Crystal structure of L-rhamnonate dehydratase from Salmonella typhimurium complexed with Mg and 3-deoxy-L-rhamnonate | | Descriptor: | (2R,4S)-2,4,7-trihydroxyheptanoic acid, 3,6-dideoxy-L-arabino-hexonic acid, MAGNESIUM ION, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Rakus, J.F, Hubbard, B.K, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2008-04-24 | | Release date: | 2008-09-23 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Evolution of enzymatic activities in the enolase superfamily: L-rhamnonate dehydratase.
Biochemistry, 47, 2008
|
|
1SVH
 | | Crystal Structure of Protein Kinase A in Complex with Azepane Derivative 8 | | Descriptor: | (3R,4S)-N-(4-{TRANS-2-[4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-PHENYL]-VINYL}-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: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-based optimization of novel azepane derivatives as PKB inhibitors
J.Med.Chem., 47, 2004
|
|
4L5V
 | | The structural implications of the secondary CO2 binding pocket in human carbonic anhydrase II | | Descriptor: | Carbonic anhydrase 2, GLYCEROL, ZINC ION | | Authors: | Boone, C.D, Gill, S, McKenna, R. | | Deposit date: | 2013-06-11 | | Release date: | 2014-04-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Structural, catalytic and stabilizing consequences of aromatic cluster variants in human carbonic anhydrase II.
Arch.Biochem.Biophys., 539, 2013
|
|
1FWM
 | | Crystal structure of the thymidylate synthase R166Q mutant | | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, SULFATE ION, THYMIDYLATE SYNTHASE | | Authors: | Sotelo-Mundo, R.R, Changchien, L, Maley, F, Montfort, W.R. | | Deposit date: | 2000-09-23 | | Release date: | 2003-11-11 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structures of thymidylate synthase mutant R166Q: Structural basis for the nearly complete loss of catalytic activity.
J.Biochem.Mol.Toxicol., 20, 2006
|
|
1TG5
 | | Crystal structures of plant 4-hydroxyphenylpyruvate dioxygenases complexed with DAS645 | | Descriptor: | 4-hydroxyphenylpyruvate dioxygenase, FE (II) ION, [1-TERT-BUTYL-3-(2,4-DICHLOROPHENYL)-5-HYDROXY-1H-PYRAZOL-4-YL][2-CHLORO-4-(METHYLSULFONYL)PHENYL]METHANONE | | Authors: | Yang, C, Pflugrath, J.W, Camper, D.L, Foster, M.L, Pernich, D.J, Walsh, T.A. | | Deposit date: | 2004-05-28 | | Release date: | 2004-08-17 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis for herbicidal inhibitor selectivity revealed by comparison of crystal structures of plant and Mammalian 4-hydroxyphenylpyruvate dioxygenases
Biochemistry, 43, 2004
|
|
1G4C
 | |
2OF0
 | | X-ray crystal structure of beta secretase complexed with compound 5 | | Descriptor: | (2S)-1-(2,5-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol, Beta-secretase 1, DIMETHYL SULFOXIDE, ... | | Authors: | Patel, S. | | Deposit date: | 2007-01-02 | | Release date: | 2007-03-13 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Application of fragment screening by X-ray crystallography to beta-Secretase.
J.Med.Chem., 50, 2007
|
|
5QCN
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR 4-[[(1~{S})-2-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-5-[(3~{S})-3-ethoxycarbonylpiperidin-1-yl]carbonyl-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]benzoic acid | | Descriptor: | 1,2-ETHANEDIOL, 4-[[(1~{S})-2-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-5-[(3~{S})-3-ethoxycarbonylpiperidin-1-yl]carbonyl-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]benzoic acid, Coagulation factor XI, ... | | Authors: | Sheriff, S. | | Deposit date: | 2017-08-10 | | Release date: | 2017-11-08 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of a Parenteral Small Molecule Coagulation Factor XIa Inhibitor Clinical Candidate (BMS-962212).
J. Med. Chem., 60, 2017
|
|
1I0B
 | | HIGH RESOLUTION STRUCTURE OF THE MANGANESE-CONTAINING PHOSPHOTRIESTERASE FROM PSEUDOMONAS DIMINUTA | | Descriptor: | 1,2-ETHANEDIOL, 2-PHENYL-ETHANOL, FORMIC ACID, ... | | Authors: | Holden, H.M, Benning, M.M, Raushel, F.M, Shim, H. | | Deposit date: | 2001-01-29 | | Release date: | 2001-04-04 | | Last modified: | 2025-03-26 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | High resolution X-ray structures of different metal-substituted forms of phosphotriesterase from Pseudomonas diminuta.
Biochemistry, 40, 2001
|
|
