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1EPQ
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BU of 1epq by Molmil
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
2EUD
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BU of 2eud by Molmil
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
1PEW
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BU of 1pew by Molmil
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
1PW3
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BU of 1pw3 by Molmil
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
4RGC
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BU of 4rgc by Molmil
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
1C29
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BU of 1c29 by Molmil
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
1C8V
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BU of 1c8v by Molmil
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
4PDJ
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BU of 4pdj by Molmil
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:2023-12-27
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
4PSY
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BU of 4psy by Molmil
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
2R0Z
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BU of 2r0z by Molmil
PFA1 FAB complexed with GripI peptide fragment
Descriptor: GLYCEROL, GripI peptide fragment, IgG2a Fab fragment heavy chain, ...
Authors:Gardberg, A.S, Dealwis, C.
Deposit date:2007-08-21
Release date:2007-10-16
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.096 Å)
Cite:Molecular basis for passive immunotherapy of Alzheimer's disease
Proc.Natl.Acad.Sci.Usa, 104, 2007
2R0W
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BU of 2r0w by Molmil
PFA2 FAB complexed with Abeta1-8
Descriptor: Amyloid beta peptide fragment, IgG2a Fab fragment heavy chain, Fd portion, ...
Authors:Gardberg, A.S, Dealwis, C.
Deposit date:2007-08-21
Release date:2007-10-16
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.503 Å)
Cite:Molecular basis for passive immunotherapy of Alzheimer's disease
Proc.Natl.Acad.Sci.Usa, 104, 2007
2ZLF
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BU of 2zlf by Molmil
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
2ZLG
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BU of 2zlg by Molmil
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
3NVO
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BU of 3nvo by Molmil
The Soluble Domain Structure of the ZntB Zn2+ Efflux System
Descriptor: SULFATE ION, ZINC ION, Zinc transport protein zntB
Authors:Wan, Q, Dealwis, C.
Deposit date:2010-07-08
Release date:2011-03-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Soluble Domain Structure of the ZntB Zn2+ Efflux System
To be Published
3NWI
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BU of 3nwi by Molmil
The Soluble Domain Structure of the ZntB Zn2+ Efflux System
Descriptor: ZINC ION, Zinc transport protein zntB
Authors:Wan, Q, Dealwis, C.
Deposit date:2010-07-09
Release date:2011-03-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.13 Å)
Cite:The Soluble Domain Structure of the ZntB Zn2+ Efflux System
TO BE PUBLISHED
1CW2
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BU of 1cw2 by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX OF BACTERIAL TRYPTOPHAN SYNTHASE WITH THE TRANSITION STATE ANALOGUE INHIBITOR 4-(2-HYDROXYPHENYLSULFINYL)-BUTYLPHOSPHONIC ACID
Descriptor: 4-(2-HYDROXYPHENYLSULFINYL)-BUTYLPHOSPHONIC ACID, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ...
Authors:Sachpatzidis, A, Dealwis, C, Lubetsky, J.B, Liang, P.H, Anderson, K.S, Lolis, E.
Deposit date:1999-08-25
Release date:1999-12-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic studies of phosphonate-based alpha-reaction transition-state analogues complexed to tryptophan synthase.
Biochemistry, 38, 1999
1CX9
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BU of 1cx9 by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX OF BACTERIAL TRYPTOPHAN SYNTHASE WITH THE TRANSITION STATE ANALOGUE INHIBITOR 4-(2-AMINOPHENYLTHIO)-BUTYLPHOSPHONIC ACID
Descriptor: 4-(2-AMINOPHENYLTHIO)-BUTYLPHOSPHONIC ACID, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ...
Authors:Sachpatzidis, A, Dealwis, C, Lubetsky, J.B, Liang, P.H, Anderson, K.S, Lolis, E.
Deposit date:1999-08-29
Release date:1999-12-29
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
3K8T
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BU of 3k8t by Molmil
Structure of eukaryotic rnr large subunit R1 complexed with designed adp analog compound
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 2'-deoxy-2'-(2-hydroxyethyl)adenosine 5'-(trihydrogen diphosphate), GLYCEROL, ...
Authors:Sun, D, Xu, H, Dealwis, C, Lee, R.E.
Deposit date:2009-10-14
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Based Design, Synthesis, and Evaluation of 2'-(2-Hydroxyethyl)-2'-deoxyadenosine and the 5'-Diphosphate Derivative as Ribonucleotide Reductase Inhibitors
Chemmedchem, 4, 2009
1ZYZ
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BU of 1zyz by Molmil
Structures of Yeast Ribonucloetide Reductase I
Descriptor: GLYCINE, Ribonucleoside-diphosphate reductase large chain 1
Authors:Xu, H, Faber, C, Uchiki, T, Fairman, J.W, Racca, J, Dealwis, C.
Deposit date:2005-06-13
Release date:2006-03-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structures of eukaryotic ribonucleotide reductase I provide insights into dNTP regulation
Proc.Natl.Acad.Sci.Usa, 103, 2006
1ZZD
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BU of 1zzd by Molmil
Structures of Yeast Ribonucleotide Reductase I
Descriptor: Ribonucleoside-diphosphate reductase large chain 1, Ribonucleoside-diphosphate reductase small chain 2
Authors:Xu, H, Faber, C, Uchiki, T, Fairman, J.W, Racca, J, Dealwis, C.
Deposit date:2005-06-13
Release date:2006-03-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures of eukaryotic ribonucleotide reductase I provide insights into dNTP regulation
Proc.Natl.Acad.Sci.Usa, 103, 2006
2CVU
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BU of 2cvu by Molmil
Structures of Yeast Ribonucleotide Reductase I
Descriptor: CYTIDINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Xu, H, Faber, C, Uchiki, T, Fairman, J.W, Racca, J, Dealwis, C.
Deposit date:2005-06-14
Release date:2006-03-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structures of eukaryotic ribonucleotide reductase I provide insights into dNTP regulation
Proc.Natl.Acad.Sci.Usa, 103, 2006
2CVS
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BU of 2cvs by Molmil
Structures of Yeast Ribonucleotide Reductase I
Descriptor: Ribonucleoside-diphosphate reductase large chain 1
Authors:Xu, H, Faber, C, Uchiki, T, Fairman, J.W, Racca, J, Dealwis, C.
Deposit date:2005-06-14
Release date:2006-03-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures of eukaryotic ribonucleotide reductase I provide insights into dNTP regulation
Proc.Natl.Acad.Sci.Usa, 103, 2006
2CVT
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BU of 2cvt by Molmil
Structures of Yeast Ribonucleotide Reductase I
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Ribonucleoside-diphosphate reductase large chain 1
Authors:Xu, H, Faber, C, Uchiki, T, Fairman, J.W, Racca, J, Dealwis, C.
Deposit date:2005-06-14
Release date:2006-03-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structures of eukaryotic ribonucleotide reductase I provide insights into dNTP regulation
Proc.Natl.Acad.Sci.Usa, 103, 2006
2CVX
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BU of 2cvx by Molmil
Structures of Yeast Ribonucleotide Reductase I
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Xu, H, Faber, C, Uchiki, T, Fairman, J.W, Racca, J, Dealwis, C.
Deposit date:2005-06-14
Release date:2006-03-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structures of eukaryotic ribonucleotide reductase I provide insights into dNTP regulation
Proc.Natl.Acad.Sci.Usa, 103, 2006
2CVV
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BU of 2cvv by Molmil
Structures of Yeast Ribonucleotide Reductase I
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Ribonucleoside-diphosphate reductase large chain 1, ...
Authors:Xu, H, Faber, C, Uchiki, T, Fairman, J.W, Racca, J, Dealwis, C.
Deposit date:2005-06-14
Release date:2006-03-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structures of eukaryotic ribonucleotide reductase I provide insights into dNTP regulation
Proc.Natl.Acad.Sci.Usa, 103, 2006

 

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