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1AJD
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BU of 1ajd by Molmil
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 INTERMEDIATE II OF HOLO ENZYME, MAGNESIUM ION, ZINC ION
Authors:Dealwis, C.G, Chen, L, Abad-Zapatero, C.
Deposit date:1995-08-18
Release date:1995-11-14
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystallographic analysis of reversible metal binding observed in a mutant (Asp153-->Gly) of Escherichia coli alkaline phosphatase.
Biochemistry, 34, 1995
1AJA
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BU of 1aja by Molmil
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
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:Crystallographic analysis of reversible metal binding observed in a mutant (Asp153-->Gly) of Escherichia coli alkaline phosphatase.
Biochemistry, 34, 1995
1AJC
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BU of 1ajc by Molmil
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, ZINC ION
Authors:Dealwis, C.G, Chen, L, Abad-Zapatero, C.
Deposit date:1995-07-18
Release date:1995-11-14
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystallographic analysis of reversible metal binding observed in a mutant (Asp153-->Gly) of Escherichia coli alkaline phosphatase.
Biochemistry, 34, 1995
1AJB
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BU of 1ajb by Molmil
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
1SMR
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BU of 1smr by Molmil
The 3-d structure of mouse submaxillary renin complexed with a decapeptide inhibitor ch-66 based on the 4-16 fragment of rat angiotensinogen
Descriptor: INHIBITOR CH-66, RENIN
Authors:Dealwis, C.G, Blundell, T.L.
Deposit date:1992-03-11
Release date:1994-01-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray analysis at 2.0 A resolution of mouse submaxillary renin complexed with a decapeptide inhibitor CH-66, based on the 4-16 fragment of rat angiotensinogen.
J.Mol.Biol., 236, 1994
4X3V
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BU of 4x3v by Molmil
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
5TUS
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BU of 5tus by Molmil
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
3HND
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BU of 3hnd by Molmil
Crystal structure of human ribonucleotide reductase 1 bound to the effector TTP and substrate GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ribonucleoside-diphosphate reductase large subunit, ...
Authors:Fairman, J.W, Wijerathna, S.R, Xu, H, Dealwis, C.G.
Deposit date:2009-05-31
Release date:2011-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Structural basis for allosteric regulation of human ribonucleotide reductase by nucleotide-induced oligomerization.
Nat.Struct.Mol.Biol., 18, 2011
3HNF
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BU of 3hnf by Molmil
Crystal structure of human ribonucleotide reductase 1 bound to the effectors TTP and dATP
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, MAGNESIUM ION, Ribonucleoside-diphosphate reductase large subunit, ...
Authors:Fairman, J.W, Wijerathna, S.R, Xu, H, Dealwis, C.G.
Deposit date:2009-05-31
Release date:2011-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.16 Å)
Cite:Structural basis for allosteric regulation of human ribonucleotide reductase by nucleotide-induced oligomerization.
Nat.Struct.Mol.Biol., 18, 2011
3HNC
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BU of 3hnc by Molmil
Crystal structure of human ribonucleotide reductase 1 bound to the effector TTP
Descriptor: MAGNESIUM ION, Ribonucleoside-diphosphate reductase large subunit, SULFATE ION, ...
Authors:Fairman, J.W, Wijerathna, S.R, Xu, H, Dealwis, C.G.
Deposit date:2009-05-31
Release date:2011-02-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Structural basis for allosteric regulation of human ribonucleotide reductase by nucleotide-induced oligomerization.
Nat.Struct.Mol.Biol., 18, 2011
3HNE
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BU of 3hne by Molmil
Crystal structure of human ribonucleotide reductase 1 bound to the effectors TTP and ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Ribonucleoside-diphosphate reductase large subunit, ...
Authors:Fairman, J.W, Wijerathna, S.R, Xu, H, Dealwis, C.G.
Deposit date:2009-05-31
Release date:2011-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Structural basis for allosteric regulation of human ribonucleotide reductase by nucleotide-induced oligomerization.
Nat.Struct.Mol.Biol., 18, 2011
3DAT
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BU of 3dat by Molmil
Crystal structure of the ternary MTX NADPH complex of Bacillus anthracis dihydrofolate reductase
Descriptor: Dihydrofolate reductase, METHOTREXATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Bennett, B.C, Dealwis, C.G.
Deposit date:2008-05-30
Release date:2009-04-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:X-ray structure of the ternary MTX.NADPH complex of the anthrax dihydrofolate reductase: a pharmacophore for dual-site inhibitor design.
J.Struct.Biol., 166, 2009
3DAU
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BU of 3dau by Molmil
Crystal structure of the ternary MTX NADPH complex of Escherichia coli dihydrofolate reductase
Descriptor: Dihydrofolate reductase, METHOTREXATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Bennett, B.C, Dealwis, C.G.
Deposit date:2008-05-30
Release date:2009-04-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:X-ray structure of the ternary MTX.NADPH complex of the anthrax dihydrofolate reductase: a pharmacophore for dual-site inhibitor design.
J.Struct.Biol., 166, 2009
3PAW
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BU of 3paw by Molmil
Low resolution X-ray crystal structure of Yeast Rnr1p with dATP bound in the A-site
Descriptor: Ribonucleoside-diphosphate reductase large chain 1
Authors:Fairman, J.W, Wijerathna, S.R, Dealwis, C.G.
Deposit date:2010-10-19
Release date:2011-02-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (6.61 Å)
Cite:Structural basis for allosteric regulation of human ribonucleotide reductase by nucleotide-induced oligomerization.
Nat.Struct.Mol.Biol., 18, 2011
2QK8
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BU of 2qk8 by Molmil
Crystal structure of the anthrax drug target, Bacillus anthracis dihydrofolate reductase
Descriptor: Dihydrofolate reductase, METHOTREXATE
Authors:Bennett, B.C, Xu, H, Simmerman, R.F, Lee, R.E, Dealwis, C.G.
Deposit date:2007-07-10
Release date:2007-08-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the anthrax drug target, Bacillus anthracis dihydrofolate reductase.
J.Med.Chem., 50, 2007
2INQ
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BU of 2inq by Molmil
Neutron Crystal Structure of Escherichia coli Dihydrofolate Reductase Bound to the Anti-cancer drug, Methotrexate
Descriptor: Dihydrofolate reductase, N-(4-{[(2,4-DIAMINOPTERIDIN-1-IUM-6-YL)METHYL](METHYL)AMINO}BENZOYL)-L-GLUTAMIC ACID
Authors:Bennett, B.C, Langan, P.A, Coates, L, Schoenborn, B, Dealwis, C.G.
Deposit date:2006-10-08
Release date:2007-02-06
Last modified:2023-08-30
Method:NEUTRON DIFFRACTION (2.2 Å)
Cite:Neutron diffraction studies of Escherichia coli dihydrofolate reductase complexed with methotrexate.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2ERC
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BU of 2erc by Molmil
CRYSTAL STRUCTURE OF ERMC' A RRNA-METHYL TRANSFERASE
Descriptor: RRNA METHYL TRANSFERASE
Authors:Bussiere, D.E, Muchmore, S.W, Dealwis, C.G, Schluckebier, G, Abad-Zapatero, C.
Deposit date:1998-03-13
Release date:1999-03-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:Crystal structure of ErmC', an rRNA methyltransferase which mediates antibiotic resistance in bacteria.
Biochemistry, 37, 1998
1A15
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BU of 1a15 by Molmil
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
7D49
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BU of 7d49 by Molmil
X-ray crystal Structure of E.coli Dihydrofolate Reductase complexed with folate and NADP+ at pH4.5
Descriptor: Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Wan, Q, Dealwis, C.
Deposit date:2020-09-23
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.651 Å)
Cite:Capturing the Catalytic Proton of Dihydrofolate Reductase: Implications for General Acid-Base Catalysis
Acs Catalysis, 11, 2021
7D4L
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BU of 7d4l by Molmil
X-ray crystal Structure of E.coli Dihydrofolate Reductase complexed with folate and NADP+ at pH7.0
Descriptor: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
Authors:Wan, Q, Dealwis, C.
Deposit date:2020-09-24
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Capturing the Catalytic Proton of Dihydrofolate Reductase: Implications for General Acid-Base Catalysis
Acs Catalysis, 11, 2021
7D4X
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BU of 7d4x by Molmil
X-ray crystal Structure of E.coli Dihydrofolate Reductase complexed with folate and NADP+ at pH7.0
Descriptor: Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Wan, Q, Dealwis, C.
Deposit date:2020-09-24
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.599 Å)
Cite:Capturing the Catalytic Proton of Dihydrofolate Reductase: Implications for General Acid-Base Catalysis
Acs Catalysis, 11, 2021
7D6G
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BU of 7d6g by Molmil
Neutron crystal Structure of E.coli Dihydrofolate Reductase complexed with folate and NADP+ at pH4.5
Descriptor: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
Authors:Wan, Q, Dealwis, C.
Deposit date:2020-09-30
Release date:2021-06-09
Last modified:2024-03-27
Method:NEUTRON DIFFRACTION (1.65 Å), X-RAY DIFFRACTION
Cite:Capturing the Catalytic Proton of Dihydrofolate Reductase: Implications for General Acid-Base Catalysis
Acs Catalysis, 11, 2021
1BBS
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BU of 1bbs by Molmil
X-RAY ANALYSES OF PEPTIDE INHIBITOR COMPLEXES DEFINE THE STRUCTURAL BASIS OF SPECIFICITY FOR HUMAN AND MOUSE RENINS
Descriptor: RENIN
Authors:Dhanaraj, V, Blundell, T.L.
Deposit date:1992-05-21
Release date:1994-01-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:X-ray analyses of peptide-inhibitor complexes define the structural basis of specificity for human and mouse renins.
Nature, 357, 1992
3TBA
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BU of 3tba by Molmil
Structure of Yeast Ribonucleotide Reductase 1 Q288A with dGTP and ADP
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Ahmad, M.F, Kaushal, P.S, Wan, Q, Wijeratna, S.R, Huang, M, Dealwis, C.
Deposit date:2011-08-05
Release date:2012-04-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Role of Arginine 293 and Glutamine 288 in Communication between Catalytic and Allosteric Sites in Yeast Ribonucleotide Reductase.
J.Mol.Biol., 419, 2012
3TB9
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BU of 3tb9 by Molmil
Structure of Yeast Ribonucleotide Reductase 1 Q288A with AMPPNP and CDP
Descriptor: CYTIDINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Ahmad, M.F, Kaushal, P.S, Wan, Q, Wijeratna, S.R, Huang, M, Dealwis, C.D.
Deposit date:2011-08-05
Release date:2012-04-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Role of Arginine 293 and Glutamine 288 in Communication between Catalytic and Allosteric Sites in Yeast Ribonucleotide Reductase.
J.Mol.Biol., 419, 2012

 

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