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3SOD
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BU of 3sod by Molmil
CHANGES IN CRYSTALLOGRAPHIC STRUCTURE AND THERMOSTABILITY OF A CU,ZN SUPEROXIDE DISMUTASE MUTANT RESULTING FROM THE REMOVAL OF BURIED CYSTEINE
Descriptor: COPPER (II) ION, COPPER,ZINC SUPEROXIDE DISMUTASE, ZINC ION
Authors:Mcree, D.E, Redford, S.M, Getzoff, E.D, Lepock, J.R, Hallewell, R.A, Tainer, J.A.
Deposit date:1990-06-26
Release date:1993-04-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Changes in crystallographic structure and thermostability of a Cu,Zn superoxide dismutase mutant resulting from the removal of a buried cysteine.
J.Biol.Chem., 265, 1990
1CCG
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BU of 1ccg by Molmil
CONSTRUCTION OF A BIS-AQUO HEME ENZYME AND REPLACEMENT WITH EXOGENOUS LIGAND
Descriptor: CYTOCHROME C PEROXIDASE, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Mcree, D.E, Jensen, G.M, Fitzgerald, M.M, Siegel, H.A, Goodin, D.B.
Deposit date:1994-05-04
Release date:1994-07-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Construction of a bisaquo heme enzyme and binding by exogenous ligands.
Proc.Natl.Acad.Sci.USA, 91, 1994
1CCE
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BU of 1cce by Molmil
CONSTRUCTION OF A BIS-AQUO HEME ENZYME AND REPLACEMENT WITH EXOGENOUS LIGAND
Descriptor: CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Mcree, D.E, Jensen, G.M, Fitzgerald, M.M, Siegel, H.A, Goodin, D.B.
Deposit date:1994-05-04
Release date:1994-07-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Construction of a bisaquo heme enzyme and binding by exogenous ligands.
Proc.Natl.Acad.Sci.USA, 91, 1994
1D9Y
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BU of 1d9y by Molmil
NEISSERIA GONORRHOEAE FERRIC BINDING PROTEIN
Descriptor: FE (III) ION, PHOSPHATE ION, PROTEIN (PERIPLASMIC IRON-BINDING PROTEIN)
Authors:McRee, D.E, Bruns, C.M, Williams, P.A, Mietzner, T.A, Nunn, R.
Deposit date:1999-10-30
Release date:1999-11-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis of Iron Uptake in the Pathogen Neisseria gonorrhoeae
To be Published
1FOC
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BU of 1foc by Molmil
Cytochrome C557: improperly folded thermus thermophilus C552
Descriptor: CYTOCHROME RC557, HEME C
Authors:McRee, D.E, Williams, P.A, Fee, J.A, Bren, K.L.
Deposit date:2000-08-27
Release date:2000-11-08
Last modified:2021-03-03
Method:X-RAY DIFFRACTION (3 Å)
Cite:Recombinant cytochrome rC557 obtained from Escherichia coli cells expressing a truncated Thermus thermophilus cycA gene. Heme inversion in an improperly matured protein
J.Biol.Chem., 276, 2001
1UBN
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BU of 1ubn by Molmil
SELENOSUBTILISIN BPN
Descriptor: CALCIUM ION, PROTEIN (SELENOSUBTILISIN BPN)
Authors:McRee, D.E, McTigue, M, Hilvert, D.
Deposit date:1999-06-02
Release date:1999-06-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Electric fields in active sites: substrate switching from null to strong fields in thiol- and selenol-subtilisins.
Biochemistry, 38, 1999
1D9V
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BU of 1d9v by Molmil
HAEMOPHILUS INFLUENZAE FERRIC-BINDING PROTEIN APO FORM
Descriptor: PHOSPHATE ION, PROTEIN (iron-utilization periplasmic protein)
Authors:McRee, D.E, Bruns, C.M, Williams, P.A.
Deposit date:1999-10-30
Release date:1999-11-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystallographic and biochemical analyses of the metal-free Haemophilus influenzae Fe3+-binding protein.
Biochemistry, 40, 2001
4CCX
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BU of 4ccx by Molmil
ALTERING SUBSTRATE SPECIFICITY AT THE HEME EDGE OF CYTOCHROME C PEROXIDASE
Descriptor: CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Wilcox, S.K, Jensen, G.M, Fitzgerald, M.M, Mcree, D.E, Goodin, D.B.
Deposit date:1995-03-17
Release date:1995-07-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Altering substrate specificity at the heme edge of cytochrome c peroxidase.
Biochemistry, 35, 1996
3CCX
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BU of 3ccx by Molmil
ALTERING SUBSTRATE SPECIFICITY AT THE HEME EDGE OF CYTOCHROME C PEROXIDASE
Descriptor: CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Wilcox, S.K, Jensen, G.M, Fitzgerald, M.M, Mcree, D.E, Goodin, D.B.
Deposit date:1995-03-17
Release date:1995-07-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Altering substrate specificity at the heme edge of cytochrome c peroxidase.
Biochemistry, 35, 1996
6FDR
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BU of 6fdr by Molmil
7-FE FERREDOXIN FROM AZOTOBACTER VINELANDII AT 100K, NA DITHIONITE REDUCED AT PH 8.5, RESOLUTION 1.4 A
Descriptor: FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, PROTEIN (7-FE FERREDOXIN I)
Authors:Schipke, C.G, Goodin, D.B, Mcree, D.E, Stout, C.D.
Deposit date:1998-12-11
Release date:1998-12-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Oxidized and reduced Azotobacter vinelandii ferredoxin I at 1.4 A resolution: conformational change of surface residues without significant change in the [3Fe-4S]+/0 cluster.
Biochemistry, 38, 1999
6FD1
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BU of 6fd1 by Molmil
7-FE FERREDOXIN FROM AZOTOBACTER VINELANDII LOW TEMPERATURE, 1.35 A
Descriptor: 7-FE FERREDOXIN I (FD1), FE3-S4 CLUSTER, IRON/SULFUR CLUSTER
Authors:Stout, C.D, Stura, E.A, Mcree, D.E.
Deposit date:1997-09-17
Release date:1997-11-12
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structure of Azotobacter vinelandii 7Fe ferredoxin at 1.35 A resolution and determination of the [Fe-S] bonds with 0.01 A accuracy.
J.Mol.Biol., 278, 1998
1CCI
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BU of 1cci by Molmil
HOW FLEXIBLE ARE PROTEINS? TRAPPING OF A FLEXIBLE LOOP
Descriptor: 2,3-DIMETHYLIMIDAZOLIUM ION, CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Cao, Y, Musah, R.A, Wilcox, S.K, Goodin, D.B, Mcree, D.E.
Deposit date:1996-12-18
Release date:1997-07-07
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A ligand-gated, hinged loop rearrangement opens a channel to a buried artificial protein cavity.
Nat.Struct.Biol., 3, 1996
7FD1
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BU of 7fd1 by Molmil
7-FE FERREDOXIN FROM AZOTOBACTER VINELANDII AT PH 8.5, 100 K, 1.35 A
Descriptor: FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, PROTEIN (7-FE FERREDOXIN I)
Authors:Stout, C.D, Stura, E.A, Mcree, D.E.
Deposit date:1998-12-11
Release date:1998-12-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Oxidized and reduced Azotobacter vinelandii ferredoxin I at 1.4 A resolution: conformational change of surface residues without significant change in the [3Fe-4S]+/0 cluster.
Biochemistry, 38, 1999
7FDR
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BU of 7fdr by Molmil
7-FE FERREDOXIN FROM AZOTOBACTER VINELANDII, NA DITHIONITE REDUCED, PH 8.5, 1.4A RESOLUTION, 100 K
Descriptor: FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, PROTEIN (7-FE FERREDOXIN I)
Authors:Schipke, C.G, Goodin, D.B, Mcree, D.E, Stout, C.D.
Deposit date:1998-12-11
Release date:1998-12-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Oxidized and reduced Azotobacter vinelandii ferredoxin I at 1.4 A resolution: conformational change of surface residues without significant change in the [3Fe-4S]+/0 cluster.
Biochemistry, 38, 1999
1BBH
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BU of 1bbh by Molmil
ATOMIC STRUCTURE OF A CYTOCHROME C' WITH AN UNUSUAL LIGAND-CONTROLLED DIMER DISSOCIATION AT 1.8 ANGSTROMS RESOLUTION
Descriptor: CYTOCHROME C', HEME C
Authors:Ren, Z, Mcree, D.E.
Deposit date:1992-05-18
Release date:1994-01-31
Last modified:2021-03-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Atomic structure of a cytochrome c' with an unusual ligand-controlled dimer dissociation at 1.8 A resolution.
J.Mol.Biol., 234, 1993
1AC4
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BU of 1ac4 by Molmil
VARIATION IN THE STRENGTH OF A CH TO O HYDROGEN BOND IN AN ARTIFICIAL PROTEIN CAVITY (2,3,4-TRIMETHYL-1,3-THIAZOLE)
Descriptor: 2,3,4-TRIMETHYL-1,3-THIAZOLE, CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Musah, R.A, Jensen, G.M, Bunte, S.W, Rosenfeld, R, Mcree, D.E, Goodin, D.B.
Deposit date:1997-02-12
Release date:1997-09-04
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Variation in strength of an unconventional C-H to O hydrogen bond in an engineered protein cavity
J.Am.Chem.Soc., 119, 1997
1AEU
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BU of 1aeu by Molmil
SPECIFICITY OF LIGAND BINDING IN A POLAR CAVITY OF CYTOCHROME C PEROXIDASE (2-METHYLIMIDAZOLE)
Descriptor: 2-METHYLIMIDAZOLE, CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Musah, R.A, Jensen, G.M, Fitzgerald, M.M, Mcree, D.E, Goodin, D.B.
Deposit date:1997-02-25
Release date:1997-09-04
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A ligand-gated, hinged loop rearrangement opens a channel to a buried artificial protein cavity.
Nat.Struct.Biol., 3, 1996
1AA4
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BU of 1aa4 by Molmil
SPECIFICITY OF LIGAND BINDING IN A BURIED POLAR CAVITY OF CYTOCHROME C PEROXIDASE
Descriptor: CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Musah, R.A, Fitzgerald, M.M, Mcree, D.E, Goodin, D.B.
Deposit date:1997-01-22
Release date:1997-07-23
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A ligand-gated, hinged loop rearrangement opens a channel to a buried artificial protein cavity.
Nat.Struct.Biol., 3, 1996
1AES
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BU of 1aes by Molmil
SPECIFICITY OF LIGAND BINDING TO A BURIED POLAR CAVITY AT THE ACTIVE SITE OF CYTOCHROME C PEROXIDASE (IMIDAZOLE)
Descriptor: CYTOCHROME C PEROXIDASE, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Musah, R.A, Jensen, G.M, Fitzgerald, M.M, Mcree, D.E, Goodin, D.B.
Deposit date:1997-02-25
Release date:1997-09-04
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A ligand-gated, hinged loop rearrangement opens a channel to a buried artificial protein cavity.
Nat.Struct.Biol., 3, 1996
1AC8
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BU of 1ac8 by Molmil
VARIATION IN THE STRENGTH OF A CH TO O HYDROGEN BOND IN AN ARTIFICIAL PROTEIN CAVITY (3,4,5-TRIMETHYLTHIAZOLE)
Descriptor: 3,4,5-TRIMETHYL-1,3-THIAZOLE, CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Musah, R.A, Jensen, G.M, Bunte, S.W, Rosenfeld, R, Mcree, D.E, Goodin, D.B.
Deposit date:1997-02-14
Release date:1997-09-04
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Variation in strength of an unconventional C-H to O hydrogen bond in an engineered protein cavity
J.Am.Chem.Soc., 119, 1997
1AET
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BU of 1aet by Molmil
VARIATION IN THE STRENGTH OF A CH TO O HYDROGEN BOND IN AN ARTIFICIAL PROTEIN CAVITY (1-METHYLIMIDAZOLE)
Descriptor: 1-METHYLIMIDAZOLE, CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Musah, R.A, Jensen, G.M, Bunte, S.W, Rosenfeld, R, Mcree, D.E, Goodin, D.B.
Deposit date:1997-02-25
Release date:1997-09-04
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A ligand-gated, hinged loop rearrangement opens a channel to a buried artificial protein cavity.
Nat.Struct.Biol., 3, 1996
2NP8
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BU of 2np8 by Molmil
Structural Basis for the Inhibition of Aurora A Kinase by a Novel Class of High Affinity Disubstituted Pyrimidine Inhibitors
Descriptor: N-{3-[(4-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-2-YL)AMINO]PHENYL}CYCLOPROPANECARBOXAMIDE, SULFATE ION, Serine/threonine-protein kinase 6
Authors:Tari, L.W, Hoffman, I.D, Bensen, D.C, Hunter, M.J, Nix, J, Nelson, K.J, McRee, D.E, Swanson, R.V.
Deposit date:2006-10-26
Release date:2006-12-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural basis for the inhibition of Aurora A kinase by a novel class of high affinity disubstituted pyrimidine inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
2PC0
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BU of 2pc0 by Molmil
Apo Wild-type HIV Protease in the open conformation
Descriptor: MAGNESIUM ION, Protease, R-1,2-PROPANEDIOL
Authors:Heaslet, H, Rosenfeld, R, Giffin, M.J, Elder, J.H, McRee, D.E, Stout, C.D.
Deposit date:2007-03-29
Release date:2007-06-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Conformational flexibility in the flap domains of ligand-free HIV protease.
Acta Crystallogr.,Sect.D, 63, 2007
2PYP
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BU of 2pyp by Molmil
PHOTOACTIVE YELLOW PROTEIN, PHOTOSTATIONARY STATE, 50% GROUND STATE, 50% BLEACHED
Descriptor: 4'-HYDROXYCINNAMIC ACID, PHOTOACTIVE YELLOW PROTEIN
Authors:Genick, U.K, Borgstahl, G.E.O, Ng, K, Ren, Z, Pradervand, C, Burke, P, Srajer, V, Teng, T, Schildkamp, W, Mcree, D.E, Moffat, K, Getzoff, E.D.
Deposit date:1997-02-03
Release date:1998-04-29
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of a protein photocycle intermediate by millisecond time-resolved crystallography.
Science, 275, 1997
1A2G
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BU of 1a2g by Molmil
PROBING THE STRENGTH AND CHARACTER OF AN ASP-HIS-X HYDROGEN BOND BY INTRODUCING BURIED CHARGES
Descriptor: CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Cao, Y, Goodin, D.B, Mcree, D.E.
Deposit date:1998-01-02
Release date:1998-11-25
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Probing the Strength and Character of an Asp-His-X Hydrogen Bond by Introducing Buried Charges
To be Published

217705

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