1URA
| ALKALINE PHOSPHATASE (D51ZN) | Descriptor: | ALKALINE PHOSPHATASE, PHOSPHATE ION, ZINC ION | Authors: | Tibbitts, T.T, Murphy, J.E, Kantrowitz, E.R. | Deposit date: | 1996-02-03 | Release date: | 1996-07-11 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Kinetic and structural consequences of replacing the aspartate bridge by asparagine in the catalytic metal triad of Escherichia coli alkaline phosphatase. J.Mol.Biol., 257, 1996
|
|
5M7E
| Tubulin-BKM120 complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[2,6-di(morpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine, CALCIUM ION, ... | Authors: | Bohnacker, T, Prota, A.E, Steinmetz, M.O, Wymann, M.P. | Deposit date: | 2016-10-27 | Release date: | 2017-02-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.046 Å) | Cite: | Deconvolution of Buparlisib's mechanism of action defines specific PI3K and tubulin inhibitors for therapeutic intervention. Nat Commun, 8, 2017
|
|
1RDB
| |
3B8U
| Crystal structure of Escherichia coli alaine racemase mutant E221A | Descriptor: | Alanine racemase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | Authors: | Wu, D, Hu, T, Zhang, L, Jiang, H, Shen, X. | Deposit date: | 2007-11-02 | Release date: | 2008-07-08 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Residues Asp164 and Glu165 at the substrate entryway function potently in substrate orientation of alanine racemase from E. coli: Enzymatic characterization with crystal structure analysis Protein Sci., 17, 2008
|
|
3BCO
| Crystal Structure of The Swapped FOrm of P19A/L28Q/N67D BS-RNase | Descriptor: | Seminal ribonuclease | Authors: | Merlino, A, Ercole, C, Picone, D, Pizzo, E, Mazzarella, L, Sica, F. | Deposit date: | 2007-11-13 | Release date: | 2008-02-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | The buried diversity of bovine seminal ribonuclease: shape and cytotoxicity of the swapped non-covalent form of the enzyme J.Mol.Biol., 376, 2008
|
|
1UNY
| Structure Based Engineering of Internal Molecular Surfaces Of Four Helix Bundles | Descriptor: | GENERAL CONTROL PROTEIN GCN4 | Authors: | Yadav, M.K, Redman, J.E, Alvarez-Gutierrez, J.M, Zhang, Y, Stout, C.D, Ghadiri, M.R. | Deposit date: | 2003-09-15 | Release date: | 2004-10-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Based Engineering of Internal Cavities in Coiled-Coil Peptides Biochemistry, 44, 2005
|
|
1QGF
| PORCINE PANCREATIC ELASTASE COMPLEXED WITH (3R, 4S)N-PARA-TOLUENESULPHONYL-3-ETHYL-4-(CARBOXYLIC ACID)PYRROLIDIN-2-ONE | Descriptor: | (2S,3S)-3-FORMYL-2-({[(4-METHYLPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID, CALCIUM ION, ELASTASE, ... | Authors: | Wilmouth, R.C, Kassamally, S, Westwood, N.J, Sheppard, R.J, Claridge, T.D.W, Wright, P.A, Pritchard, G.J, Schofield, C.J. | Deposit date: | 1999-04-27 | Release date: | 1999-12-29 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Mechanistic insights into the inhibition of serine proteases by monocyclic lactams. Biochemistry, 38, 1999
|
|
3B9R
| SERCA Ca2+-ATPase E2 aluminium fluoride complex without thapsigargin | Descriptor: | MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, POTASSIUM ION, ... | Authors: | Olesen, C, Picard, M, Winther, A.M.L, Morth, J.P, Moller, J.V, Nissen, P. | Deposit date: | 2007-11-06 | Release date: | 2007-12-18 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The structural basis of calcium transport by the calcium pump Nature, 450, 2007
|
|
1URB
| ALKALINE PHOSPHATASE (N51MG) | Descriptor: | ALKALINE PHOSPHATASE, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Tibbitts, T.T, Murphy, J.E, Kantrowitz, E.R. | Deposit date: | 1996-02-03 | Release date: | 1996-07-11 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Kinetic and structural consequences of replacing the aspartate bridge by asparagine in the catalytic metal triad of Escherichia coli alkaline phosphatase. J.Mol.Biol., 257, 1996
|
|
1HP1
| 5'-NUCLEOTIDASE (OPEN FORM) COMPLEX WITH ATP | Descriptor: | 5'-NUCLEOTIDASE, ADENOSINE-5'-TRIPHOSPHATE, CARBONATE ION, ... | Authors: | Knoefel, T, Straeter, N. | Deposit date: | 2000-12-12 | Release date: | 2002-03-20 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Mechanism of hydrolysis of phosphate esters by the dimetal center of 5'-nucleotidase based on crystal structures. J.Mol.Biol., 309, 2001
|
|
4GSS
| HUMAN GLUTATHIONE S-TRANSFERASE P1-1 Y108F MUTANT | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE S-TRANSFERASE, S-HEXYLGLUTATHIONE | Authors: | Oakley, A, Rossjohn, J, Parker, M. | Deposit date: | 1997-01-20 | Release date: | 1998-01-28 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Multifunctional role of Tyr 108 in the catalytic mechanism of human glutathione transferase P1-1. Crystallographic and kinetic studies on the Y108F mutant enzyme. Biochemistry, 36, 1997
|
|
1QP0
| PURINE REPRESSOR-HYPOXANTHINE-PALINDROMIC OPERATOR COMPLEX | Descriptor: | DNA (5'-D(*TP*AP*CP*GP*CP*AP*AP*CP*CP*GP*GP*TP*TP*GP*CP*GP*T)-3'), HYPOXANTHINE, PROTEIN (PURINE NUCLEOTIDE SYNTHESIS REPRESSOR) | Authors: | Glasfeld, A, Koehler, A.N, Schumacher, M.A, Brennan, R.G. | Deposit date: | 1999-06-01 | Release date: | 1999-06-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The role of lysine 55 in determining the specificity of the purine repressor for its operators through minor groove interactions. J.Mol.Biol., 291, 1999
|
|
1QQ1
| TAILSPIKE PROTEIN, MUTANT E359G | Descriptor: | TAILSPIKE PROTEIN | Authors: | Schuler, B, Furst, F, Osterroth, F, Steinbacher, S, Huber, R, Seckler, R. | Deposit date: | 1999-06-10 | Release date: | 2000-04-12 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Plasticity and steric strain in a parallel beta-helix: rational mutations in the P22 tailspike protein. Proteins, 39, 2000
|
|
6HMM
| POLYADPRIBOSYL GLYCOHYDROLASE IN COMPLEX WITH PDD00013907 | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, Poly(ADP-ribose) glycohydrolase, ... | Authors: | Tucker, J.A, Brassington, C, Hassall, G. | Deposit date: | 2018-09-12 | Release date: | 2018-11-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Cell-Active Small Molecule Inhibitors of the DNA-Damage Repair Enzyme Poly(ADP-ribose) Glycohydrolase (PARG): Discovery and Optimization of Orally Bioavailable Quinazolinedione Sulfonamides. J.Med.Chem., 61, 2018
|
|
3BLS
| AMPC BETA-LACTAMASE FROM ESCHERICHIA COLI | Descriptor: | AMPC BETA-LACTAMASE, M-AMINOPHENYLBORONIC ACID | Authors: | Usher, K.C, Shoichet, B.K, Remington, S.J. | Deposit date: | 1998-06-04 | Release date: | 1998-08-12 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Three-dimensional structure of AmpC beta-lactamase from Escherichia coli bound to a transition-state analogue: possible implications for the oxyanion hypothesis and for inhibitor design. Biochemistry, 37, 1998
|
|
8RAS
| Plastid-encoded RNA polymerase transcription elongation complex | Descriptor: | DNA (81-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Webster, M.W, Pramanick, I, Vergara-Cruces, A. | Deposit date: | 2023-12-01 | Release date: | 2024-03-06 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (2.62 Å) | Cite: | Structure of the plant plastid-encoded RNA polymerase. Cell, 187, 2024
|
|
3BP9
| Structure of B-tropic MLV capsid N-terminal domain | Descriptor: | GLYCEROL, Gag protein, ISOPROPYL ALCOHOL | Authors: | Gulnahar, M.B, Dodding, M.P, Goldstone, D.C, Haire, L.F, Stoye, J.P, Taylor, I.A. | Deposit date: | 2007-12-18 | Release date: | 2008-02-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of B-MLV capsid amino-terminal domain reveals key features of viral tropism, gag assembly and core formation J.Mol.Biol., 376, 2008
|
|
3PIL
| Crystal structure of Mxr1 from Saccharomyces cerevisiae in reduced form | Descriptor: | ACETATE ION, Peptide methionine sulfoxide reductase | Authors: | Ma, X.X, Guo, P.C, Shi, W.W, Luo, M, Tan, X.F, Chen, Y, Zhou, C.Z. | Deposit date: | 2010-11-07 | Release date: | 2011-02-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structural plasticity of the thioredoxin recognition site of yeast methionine S-sulfoxide reductase Mxr1 J.Biol.Chem., 286, 2011
|
|
7BZJ
| The Discovery of Benzhydrol-Oxaborole Hybrid Derivatives as Leucyl-tRNA Synthetase Inhibitors | Descriptor: | Leucine--tRNA ligase, [(1~{R},5~{R},6~{S},8~{R})-8-(6-aminopurin-9-yl)-4'-[(~{R})-oxidanyl-[4-(2-oxidanylidenepropylsulfanyl)phenyl]methyl]spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-6-yl]methoxy-tris(oxidanyl)phosphanium | Authors: | Liu, R.J, Li, H, Wang, E.D, Zhou, H. | Deposit date: | 2020-04-28 | Release date: | 2020-12-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of benzhydrol-oxaborole derivatives as Streptococcus pneumoniae leucyl-tRNA synthetase inhibitors. Bioorg.Med.Chem., 29, 2021
|
|
3HMT
| |
1RQL
| Crystal Structure of Phosponoacetaldehyde Hydrolase Complexed with Magnesium and the Inhibitor Vinyl Sulfonate | Descriptor: | MAGNESIUM ION, Phosphonoacetaldehyde Hydrolase, VINYLSULPHONIC ACID | Authors: | Morais, M.C, Zhang, G, Zhang, W, Olsen, D.B, Dunaway-Mariano, D, Allen, K.N. | Deposit date: | 2003-12-05 | Release date: | 2004-04-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | X-ray crystallographic and site-directed mutagenesis
analysis of the mechanism of Schiff-base formation in
phosphonoacetaldehyde hydrolase catalysis J.Biol.Chem., 279, 2004
|
|
2VFX
| Structure of the Symmetric Mad2 Dimer | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, CHLORIDE ION, ... | Authors: | Yang, M, Li, B, Liu, C.-J, Tomchick, D.R, Machius, M, Rizo, J, Yu, H, Luo, X. | Deposit date: | 2007-11-05 | Release date: | 2008-03-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Insights Into MAD2 Regulation in the Spindle Checkpoint Revealed by the Crystal Structure of the Symmetric MAD2 Dimer. Plos Biol., 6, 2008
|
|
1RR2
| Propionibacterium shermanii transcarboxylase 5S subunit bound to 2-ketobutyric acid | Descriptor: | 2-KETOBUTYRIC ACID, 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: | 2003-12-08 | Release date: | 2004-09-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Transcarboxylase 5S structures: assembly and catalytic mechanism of a multienzyme complex subunit. Embo J., 23, 2004
|
|
5UYS
| Human steroidogenic cytochrome P450 17A1 with 3alphaOH-5alpha-abiraterone analog | Descriptor: | (3alpha,5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-ol, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase | Authors: | Scott, E.E, Petrunak, E.M. | Deposit date: | 2017-02-24 | Release date: | 2018-02-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.392 Å) | Cite: | Human cytochrome P450 17A1 structures with metabolites of prostate cancer drug abiraterone reveal substrate-binding plasticity and a second binding site. J.Biol.Chem., 299, 2023
|
|
5ULN
| Synthesis of novel seleno ureido containing compounds as SLC-0111 analogs. Investigations on carbonic anhydrases activity, glutathione peroxidase and X-ray crystallography | Descriptor: | 4-{[(4-fluorophenyl)carbamothioyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Peat, T.S, Angeli, A, Tanini, D, Bartolucci, G, Capperucci, A, Supuran, C.T, Carta, F. | Deposit date: | 2017-01-25 | Release date: | 2017-10-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Discovery of New Selenoureido Analogues of 4-(4-Fluorophenylureido)benzenesulfonamide as Carbonic Anhydrase Inhibitors. ACS Med Chem Lett, 8, 2017
|
|