1AJD
 
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1AJC
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1AJB
 | | THREE-DIMENSIONAL STRUCTURE OF THE D153G MUTANT OF E. COLI ALKALINE PHOSPHATASE: A MUTANT WITH WEAKER MAGNESIUM BINDING AND INCREASED CATALYTIC ACTIVITY | | Descriptor: | ALKALINE PHOSPHATASE, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Dealwis, C.G, Chen, L, Abad-Zapatero, C. | | Deposit date: | 1995-08-19 | | Release date: | 1995-11-14 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | 3-D structure of the D153G mutant of Escherichia coli alkaline phosphatase: an enzyme with weaker magnesium binding and increased catalytic activity.
Protein Eng., 8, 1995
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1AJA
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1A15
 | | SDF-1ALPHA | | Descriptor: | STROMAL DERIVED FACTOR-1ALPHA, SULFATE ION | | Authors: | Dealwis, C.G, Fernandez, E.J, Lolis, E. | | Deposit date: | 1997-12-22 | | Release date: | 1998-08-12 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of chemically synthesized [N33A] stromal cell-derived factor 1alpha, a potent ligand for the HIV-1 "fusin" coreceptor.
Proc.Natl.Acad.Sci.USA, 95, 1998
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4X3V
 | | Crystal structure of human ribonucleotide reductase 1 bound to inhibitor | | Descriptor: | N~6~-{N-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]-2-methyl-D-alanyl}-D-lysine, Ribonucleoside-diphosphate reductase large subunit, THYMIDINE-5'-TRIPHOSPHATE | | Authors: | Dealwis, C.G, Ahmad, M.F, Alam, I. | | Deposit date: | 2014-12-01 | | Release date: | 2015-11-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Identification of Non-nucleoside Human Ribonucleotide Reductase Modulators.
J.Med.Chem., 58, 2015
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1SMR
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1EPQ
 | | ENDOTHIA ASPARTIC PROTEINASE (ENDOTHIAPEPSIN) COMPLEXED WITH PD-133,450 (SOT PHE GLY+SCC GCL) | | Descriptor: | ENDOTHIAPEPSIN, N-[(1S)-2-{[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino}-1-(ethylsulfanyl)-2-oxoethyl]-Nalpha-(morpholin-4-ylsulfonyl)-L-phenylalaninamide, SULFATE ION | | Authors: | Dealwis, C, Cooper, J.B, Blundell, T.L. | | Deposit date: | 1994-07-27 | | Release date: | 1994-12-20 | | Last modified: | 2020-05-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Analyses of ligand binding in five endothiapepsin crystal complexes and their use in the design and evaluation of novel renin inhibitors.
J.Med.Chem., 36, 1993
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2EUD
 | | Structures of Yeast Ribonucleotide Reductase I complexed with Ligands and Subunit Peptides | | Descriptor: | GEMCITABINE DIPHOSPHATE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Dealwis, C, Xu, H, Faber, C, Uchiki, T, Fairman, J.W, Racca, J. | | Deposit date: | 2005-10-28 | | Release date: | 2006-03-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structures of eukaryotic ribonucleotide reductase I define gemcitabine diphosphate binding and subunit assembly.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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1PEW
 | | High Resolution Crystal Structure of Jto2, a mutant of the non-amyloidogenic Lamba6 Light Chain, Jto | | Descriptor: | CADMIUM ION, Jto2, a LAMBDA-6 TYPE IMMUNOGLOBULIN LIGHT CHAIN, ... | | Authors: | Dealwis, C, Gupta, V, Wilkerson, M. | | Deposit date: | 2003-05-22 | | Release date: | 2004-07-13 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural basis of light chain amyloidogenicity: comparison of the thermodynamic properties, fibrillogenic potential and tertiary structural features of four V(lambda)6 proteins
J.Mol.Recog., 17, 2004
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1PW3
 | | Crystal structure of JtoR68S | | Descriptor: | CADMIUM ION, immunoglobulin lambda chain variable region | | Authors: | Dealwis, C, Gupta, V, Wilkerson, M. | | Deposit date: | 2003-06-30 | | Release date: | 2004-08-17 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis of light chain amyloidogenicity: comparison of the thermodynamic properties, fibrillogenic potential and tertiary structural features of four Vlambda6 proteins.
J.Mol.Recog., 17, 2004
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4RGC
 | | 277K Crystal structure of Escherichia Coli dihydrofolate reductase | | Descriptor: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | | Authors: | Wilson, M.A, Wan, Q, Bennett, B.C, Dealwis, C. | | Deposit date: | 2014-09-29 | | Release date: | 2014-10-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Toward resolving the catalytic mechanism of dihydrofolate reductase using neutron and ultrahigh-resolution X-ray crystallography.
Proc.Natl.Acad.Sci.USA, 111, 2014
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1C29
 | | CRYSTAL STRUCTURE OF THE COMPLEX OF BACTERIAL TRYPTOPHAN SYNTHASE WITH THE TRANSITION STATE ANALOGUE INHIBITOR 4-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACID | | Descriptor: | 4-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACID, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ... | | Authors: | Sachpatzidis, A, Dealwis, C, Lubetsky, J.B, Liang, P.H, Anderson, K.S, Lolis, E. | | Deposit date: | 1999-07-23 | | Release date: | 2000-01-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystallographic studies of phosphonate-based alpha-reaction transition-state analogues complexed to tryptophan synthase.
Biochemistry, 38, 1999
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1C8V
 | | CRYSTAL STRUCTURE OF THE COMPLEX OF BACTERIAL TRYPTOPHAN SYNTHASE WITH THE TRANSITION STATE ANALOGUE INHIBITOR 4-(2-HYDROXYPHENYLTHIO)-BUTYLPHOSPHONIC ACID | | Descriptor: | 4-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACID, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ... | | Authors: | Sachpatzidis, A, Dealwis, C, Lubetsky, J.B, Liang, P.H, Anderson, K.S, Lolis, E. | | Deposit date: | 1999-07-30 | | Release date: | 2000-01-13 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystallographic studies of phosphonate-based alpha-reaction transition-state analogues complexed to tryptophan synthase.
Biochemistry, 38, 1999
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5TUS
 | | Potent competitive inhibition of human ribonucleotide reductase by a novel non-nucleoside small molecule | | Descriptor: | 2-hydroxy-N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylidene]benzohydrazide, MAGNESIUM ION, Ribonucleoside-diphosphate reductase large subunit, ... | | Authors: | Mohammed, F.A, Alam, I, Dealwis, C.G. | | Deposit date: | 2016-11-07 | | Release date: | 2017-08-02 | | Last modified: | 2020-01-01 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | Potent competitive inhibition of human ribonucleotide reductase by a nonnucleoside small molecule.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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7D49
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7D4L
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7D4X
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7D6G
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4PSY
 | | 100K crystal structure of Escherichia coli dihydrofolate reductase | | Descriptor: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | | Authors: | Wilson, M.A, Wan, Q, Bennet, B.C, Dealwis, C, Ringe, D, Petsko, G.A. | | Deposit date: | 2014-03-08 | | Release date: | 2014-05-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (0.85 Å) | | Cite: | Toward resolving the catalytic mechanism of dihydrofolate reductase using neutron and ultrahigh-resolution X-ray crystallography.
Proc.Natl.Acad.Sci.USA, 22, 2014
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4PDJ
 | | Neutron crystal Structure of E.coli Dihydrofolate Reductase complexed with folate and NADP+ | | Descriptor: | DIHYDROFOLIC ACID, Dihydrofolate reductase, MANGANESE (II) ION, ... | | Authors: | Wan, Q, Kovalevsky, A.Y, Wilson, M, Langan, P, Dealwis, C, Bennett, B. | | Deposit date: | 2014-04-18 | | Release date: | 2015-04-15 | | Last modified: | 2024-04-03 | | Method: | NEUTRON DIFFRACTION (1.599 Å), X-RAY DIFFRACTION | | Cite: | Toward resolving the catalytic mechanism of dihydrofolate reductase using neutron and ultrahigh-resolution X-ray crystallography.
Proc.Natl.Acad.Sci.USA, 111, 2014
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3EYU
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3EYS
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2ZLF
 | | The Structural Basis for Peptidomimetic Inhibition of Eukaryotic Ribonucleotide Reductase | | Descriptor: | FTLDADF, Ribonucleoside-diphosphate reductase large chain 1 | | Authors: | Xu, H, Fairman, J.W, Wijerathna, S.R, LaMacchia, J, Kreischer, N.R, Helmbrecht, E, Cooperman, B.S, Dealwis, C. | | Deposit date: | 2008-04-09 | | Release date: | 2008-08-19 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | The Structural Basis for Peptidomimetic Inhibition of Eukaryotic Ribonucleotide Reductase: A Conformationally Flexible Pharmacophore
J.Med.Chem., 51, 2008
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2ZLG
 | | The Structual Basis for Peptidomimetic Inhibition of Eukaryotic Ribonucleotide Reductase | | Descriptor: | (5R,9S,12S,15S,18S,21S)-21-benzyl-12,18-bis(carboxymethyl)-15-cyclohexyl-1-(9H-fluoren-9-yl)-4-methyl-9-(2-methylpropyl)-3,6,10,13,16,19-hexaoxo-5-phenyl-2-oxa-4,8,11,14,17,20-hexaazadocosan-22-oic acid, GLYCEROL, Ribonucleoside-diphosphate reductase large chain 1 | | Authors: | Xu, H, Fairman, J.W, Wijerathna, S.R, LaMacchia, J, Kreischer, N.R, Helmbrecht, E, Cooperman, B.S, Dealwis, C. | | Deposit date: | 2008-04-09 | | Release date: | 2008-08-19 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | The Structural Basis for Peptidomimetic Inhibition of Eukaryotic Ribonucleotide Reductase: A Conformationally Flexible Pharmacophore
J.Med.Chem., 51, 2008
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