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1EPV
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BU of 1epv by Molmil
ALANINE RACEMASE WITH BOUND INHIBITOR DERIVED FROM D-CYCLOSERINE
Descriptor: ALANINE RACEMASE, D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE
Authors:Fenn, T.D, Stamper, G.F, Morollo, A.A, Ringe, D.
Deposit date:2000-03-29
Release date:2003-01-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A side reaction of alanine racemase: transamination of cycloserine.
Biochemistry, 42, 2003
1XQL
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BU of 1xql by Molmil
Effect of a Y265F Mutant on the Transamination Based Cycloserine Inactivation of Alanine Racemase
Descriptor: (5-HYDROXY-4-{[(3-HYDROXYISOXAZOL-4-YL)AMINO]METHYL}-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, (R)-4-AMINO-ISOXAZOLIDIN-3-ONE, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, ...
Authors:Fenn, T.D, Holyoak, T, Stamper, G.F, Ringe, D.
Deposit date:2004-10-12
Release date:2005-01-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Effect of a Y265F Mutant on the Transamination-Based Cycloserine Inactivation of Alanine Racemase
Biochemistry, 44, 2005
1XQK
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BU of 1xqk by Molmil
Effect of a Y265F Mutant on the Transamination Based Cycloserine Inactivation of Alanine Racemase
Descriptor: (5-HYDROXY-4-{[(3-HYDROXYISOXAZOL-4-YL)AMINO]METHYL}-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, Alanine racemase
Authors:Fenn, T.D, Holyoak, T, Stamper, G.F, Ringe, D.
Deposit date:2004-10-12
Release date:2005-01-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Effect of a Y265F Mutant on the Transamination-Based Cycloserine Inactivation of Alanine Racemase
Biochemistry, 44, 2005
1MUW
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BU of 1muw by Molmil
The 0.86 Angstrom Structure of Xylose Isomerase
Descriptor: HYDROXIDE ION, MAGNESIUM ION, MANGANESE (II) ION, ...
Authors:Fenn, T.D, Ringe, D, Petsko, G.A.
Deposit date:2002-09-24
Release date:2002-11-06
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (0.86 Å)
Cite:Active Site Dynamics at 0.86A: Crystallographic Analysis of a Metal-Mediated Hydride Shift
To be Published
1NIU
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BU of 1niu by Molmil
ALANINE RACEMASE WITH BOUND INHIBITOR DERIVED FROM L-CYCLOSERINE
Descriptor: Alanine Racemase, D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE
Authors:Fenn, T.D, Stamper, G.F, Morollo, A.A, Ringe, D.
Deposit date:2002-12-26
Release date:2003-09-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A side reaction of alanine racemase: transamination of cycloserine.
Biochemistry, 42, 2003
1S5N
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BU of 1s5n by Molmil
Xylose Isomerase in Substrate and Inhibitor Michaelis States: Atomic Resolution Studies of a Metal-Mediated Hydride Shift
Descriptor: HYDROXIDE ION, MANGANESE (II) ION, SODIUM ION, ...
Authors:Fenn, T.D, Ringe, D, Petsko, G.A.
Deposit date:2004-01-21
Release date:2004-02-10
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Xylose isomerase in substrate and inhibitor michaelis States: atomic resolution studies of a metal-mediated hydride shift(,).
Biochemistry, 43, 2004
1S5M
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BU of 1s5m by Molmil
Xylose Isomerase in Substrate and Inhibitor Michaelis States: Atomic Resolution Studies of a Metal-Mediated Hydride Shift
Descriptor: MANGANESE (II) ION, SODIUM ION, Xylose isomerase, ...
Authors:Fenn, T.D, Ringe, D, Petsko, G.A.
Deposit date:2004-01-21
Release date:2004-02-10
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Xylose isomerase in substrate and inhibitor michaelis States: atomic resolution studies of a metal-mediated hydride shift(,).
Biochemistry, 43, 2004
3QBA
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BU of 3qba by Molmil
Reintroducing Electrostatics into Macromolecular Crystallographic Refinement: Z-DNA (X-ray)
Descriptor: Z-DNA
Authors:Fenn, T.D, Schnieders, M.J, Mustyakimov, M, Wu, C, Langan, P, Pande, V.S, Brunger, A.T.
Deposit date:2011-01-12
Release date:2011-03-02
Last modified:2024-02-21
Method:NEUTRON DIFFRACTION (1.53 Å), X-RAY DIFFRACTION
Cite:Reintroducing electrostatics into macromolecular crystallographic refinement: application to neutron crystallography and DNA hydration.
Structure, 19, 2011
3IPT
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BU of 3ipt by Molmil
Crystal Structure of Ketosteroid Isomerase Y16S/D40N from Pseudomonas putida with Bound Equilenin
Descriptor: EQUILENIN, Steroid Delta-isomerase
Authors:Fenn, T.D, Sigala, P.A, Herschlag, D.
Deposit date:2009-08-18
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.632 Å)
Cite:Dissecting the paradoxical effects of hydrogen bond mutations in the ketosteroid isomerase oxyanion hole.
Proc.Natl.Acad.Sci.USA, 107, 2010
2RH6
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BU of 2rh6 by Molmil
Structure of Xac NPP for evaluation of refinement methodology
Descriptor: ADENOSINE MONOPHOSPHATE, Phosphodiesterase-nucleotide pyrophosphatase, ZINC ION
Authors:Zalatan, J.G, Fenn, T.D, Brunger, A.T, Hershlag, D.
Deposit date:2007-10-06
Release date:2007-10-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystallographic Goodness of Fit: A New Treatment of Model Complexity
To be Published
4KM4
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BU of 4km4 by Molmil
E. coli alkaline phosphatase mutant S102G/R166S in complex with inorganic phosphate
Descriptor: Alkaline phosphatase, PHOSPHATE ION, ZINC ION
Authors:Andrews, L.D, Fenn, T.D, Herschlag, D.
Deposit date:2013-05-08
Release date:2013-07-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Ground state destabilization by anionic nucleophiles contributes to the activity of phosphoryl transfer enzymes.
Plos Biol., 11, 2013
3TG0
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BU of 3tg0 by Molmil
E. coli alkaline phosphatase with bound inorganic phosphate
Descriptor: Alkaline phosphatase, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Bobyr, E, Lassila, J.K, Wiersma-Koch, H.I, Fenn, T.D, Lee, J.J, Nikolic-Hughes, I, Hodgson, K.O, Rees, D.C, Hedman, B, Herschlag, D.
Deposit date:2011-08-16
Release date:2011-11-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:High-resolution analysis of Zn(2+) coordination in the alkaline phosphatase superfamily by EXAFS and x-ray crystallography.
J.Mol.Biol., 415, 2012
1Z9L
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BU of 1z9l by Molmil
1.7 Angstrom Crystal Structure of the Rat VAP-A MSP Homology Domain
Descriptor: Vesicle-associated membrane protein-associated protein A
Authors:Kaiser, S.E, Brickner, J.H, Reilein, A.R, Fenn, T.D, Walter, P, Brunger, A.T.
Deposit date:2005-04-03
Release date:2005-07-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis of FFAT motif-mediated ER targeting
Structure, 13, 2005
1Z9O
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BU of 1z9o by Molmil
1.9 Angstrom Crystal Structure of the Rat VAP-A MSP Homology Domain in Complex with the Rat ORP1 FFAT Motif
Descriptor: Oxysterol binding protein, Vesicle-associated membrane protein-associated protein A
Authors:Kaiser, S.E, Brickner, J.H, Reilein, A.R, Fenn, T.D, Walter, P, Brunger, A.T.
Deposit date:2005-04-03
Release date:2005-07-19
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis of FFAT motif-mediated ER targeting
Structure, 13, 2005
3BBP
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BU of 3bbp by Molmil
Rab6-GTP:GCC185 Rab binding domain complex
Descriptor: GRIP and coiled-coil domain-containing protein 2, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Schweizer Burguete, A, Fenn, T.D, Brunger, A.T, Pfeffer, S.R.
Deposit date:2007-11-09
Release date:2008-02-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3 Å)
Cite:Rab and Arl GTPase family members cooperate in the localization of the golgin GCC185.
Cell(Cambridge,Mass.), 132, 2008
3CMR
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BU of 3cmr by Molmil
E. coli alkaline phosphatase mutant R166S in complex with phosphate
Descriptor: Alkaline phosphatase, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:O'Brien, P.J, Lassila, J.K, Fenn, T.D, Zalatan, J.G, Herschlag, D.
Deposit date:2008-03-24
Release date:2008-07-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Arginine coordination in enzymatic phosphoryl transfer: evaluation of the effect of Arg166 mutations in Escherichia coli alkaline phosphatase
Biochemistry, 47, 2008
3DYC
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BU of 3dyc by Molmil
Structure of E322Y Alkaline Phosphatase in Complex with Inorganic Phosphate
Descriptor: Alkaline phosphatase, PHOSPHATE ION, ZINC ION
Authors:Zalatan, J.G, Fenn, T.D, Herschlag, D.
Deposit date:2008-07-25
Release date:2008-10-21
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.303 Å)
Cite:Comparative Enzymology in the Alkaline Phosphatase Superfamily to Determine the Catalytic Role of an Active-Site Metal Ion.
J.Mol.Biol., 384, 2008
4GSJ
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BU of 4gsj by Molmil
Crystal structure of Atg7 NTD K14A F16A D18A mutant
Descriptor: CITRIC ACID, ISOPROPYL ALCOHOL, Ubiquitin-like modifier-activating enzyme ATG7
Authors:Kaiser, S.E, Mao, K, Taherbhoy, A.M, Yu, S, Olszewski, J.L, Duda, D.M, Kurinov, I, Deng, A, Fenn, T.D, Klionsky, D.J, Schulman, B.A.
Deposit date:2012-08-27
Release date:2012-11-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.695 Å)
Cite:Noncanonical E2 recruitment by the autophagy E1 revealed by Atg7-Atg3 and Atg7-Atg10 structures.
Nat.Struct.Mol.Biol., 19, 2012
4GSL
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BU of 4gsl by Molmil
Crystal structure of an Atg7-Atg3 crosslinked complex
Descriptor: Autophagy-related protein 3, Ubiquitin-like modifier-activating enzyme ATG7, ZINC ION
Authors:Kaiser, S.E, Mao, K, Taherbhoy, A.M, Yu, S, Olszewski, J.L, Duda, D.M, Kurinov, I, Deng, A, Fenn, T.D, Klionsky, D.J, Schulman, B.A.
Deposit date:2012-08-27
Release date:2012-11-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.703 Å)
Cite:Noncanonical E2 recruitment by the autophagy E1 revealed by Atg7-Atg3 and Atg7-Atg10 structures.
Nat.Struct.Mol.Biol., 19, 2012
4GSK
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BU of 4gsk by Molmil
Crystal structure of an Atg7-Atg10 crosslinked complex
Descriptor: Ubiquitin-like modifier-activating enzyme ATG7, Ubiquitin-like-conjugating enzyme ATG10, ZINC ION
Authors:Kaiser, S.E, Mao, K, Taherbhoy, A.M, Yu, S, Olszewski, J.L, Duda, D.M, Kurinov, I, Deng, A, Fenn, T.D, Klionsky, D.J, Schulman, B.A.
Deposit date:2012-08-27
Release date:2012-11-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Noncanonical E2 recruitment by the autophagy E1 revealed by Atg7-Atg3 and Atg7-Atg10 structures.
Nat.Struct.Mol.Biol., 19, 2012
2GSO
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BU of 2gso by Molmil
Structure of Xac Nucleotide Pyrophosphatase/Phosphodiesterase in Complex with Vanadate
Descriptor: VANADATE ION, ZINC ION, phosphodiesterase-nucleotide pyrophosphatase
Authors:Zalatan, J.G, Fenn, T.D, Brunger, A.T, Herschlag, D.
Deposit date:2006-04-26
Release date:2006-08-01
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural and functional comparisons of nucleotide pyrophosphatase/phosphodiesterase and alkaline phosphatase: implications for mechanism and evolution
Biochemistry, 45, 2006
2GSU
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BU of 2gsu by Molmil
Structure of Xac Nucleotide Pyrophosphatase/Phosphodiesterase in Complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, ZINC ION, phosphodiesterase-nucleotide pyrophosphatase
Authors:Zalatan, J.G, Fenn, T.D, Brunger, A.T, Herschlag, D.
Deposit date:2006-04-26
Release date:2006-08-01
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and functional comparisons of nucleotide pyrophosphatase/phosphodiesterase and alkaline phosphatase: implications for mechanism and evolution
Biochemistry, 45, 2006
2GSN
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BU of 2gsn by Molmil
Structure of Xac Nucleotide Pyrophosphatase/Phosphodiesterase
Descriptor: ZINC ION, phosphodiesterase-nucleotide pyrophosphatase
Authors:Zalatan, J.G, Fenn, T.D, Brunger, A.T, Herschlag, D.
Deposit date:2006-04-26
Release date:2006-08-01
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural and functional comparisons of nucleotide pyrophosphatase/phosphodiesterase and alkaline phosphatase: implications for mechanism and evolution
Biochemistry, 45, 2006
1OT5
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BU of 1ot5 by Molmil
The 2.4 Angstrom Crystal Structure of Kex2 in complex with a peptidyl-boronic acid inhibitor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ac-Ala-Lys-boroArg N-acetylated boronic acid peptide inhibitor, ...
Authors:Holyoak, T, Wilson, M.A, Fenn, T.D, Kettner, C.A, Petsko, G.A, Fuller, R.S, Ringe, D.
Deposit date:2003-03-21
Release date:2003-06-17
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:2.4 A Resolution Crystal Structure of the Prototypical Hormone-Processing Protease Kex2 in Complex with an Ala-Lys-Arg Boronic Acid Inhibitor
Biochemistry, 42, 2003
3OXA
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BU of 3oxa by Molmil
Crystal Structure of Ketosteroid Isomerase D40N/C69S/C81S/C97S/M116C-CN from P. putida
Descriptor: Steroid Delta-isomerase
Authors:Sigala, P.A, Fenn, T.D, Herschlag, D.
Deposit date:2010-09-21
Release date:2011-09-21
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Quantitative, directional measurement of electric field heterogeneity in the active site of ketosteroid isomerase.
Proc.Natl.Acad.Sci.USA, 109, 2012

 

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