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4KN3
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BU of 4kn3 by Molmil
Structure of the Y34NS91G double mutant of Dehaloperoxidase from Amphitrite ornata with 2,4,6-trichlorophenol
Descriptor: 2,4,6-trichlorophenol, Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Wang, C, Lovelace, L, Lebioda, L.
Deposit date:2013-05-08
Release date:2013-09-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Complexes of dual-function hemoglobin/dehaloperoxidase with substrate 2,4,6-trichlorophenol are inhibitory and indicate binding of halophenol to compound I.
Biochemistry, 52, 2013
4KMW
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BU of 4kmw by Molmil
Structure of the Y34N MUTANT OF DEHALOPEROXIDASE-HEMOGLOBIN A FROM AMPHITRITE ORNATA WITH 2,4,6-TRICHLOROPHENOL
Descriptor: 2,4,6-trichlorophenol, Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Wang, C, Lovelace, L, Lebioda, L.
Deposit date:2013-05-08
Release date:2013-09-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Complexes of dual-function hemoglobin/dehaloperoxidase with substrate 2,4,6-trichlorophenol are inhibitory and indicate binding of halophenol to compound I.
Biochemistry, 52, 2013
4KJT
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BU of 4kjt by Molmil
Structure of the L100F MUTANT OF DEHALOPEROXIDASE-HEMOGLOBIN A FROM AMPHITRITE ORNATA WITH OXYGEN
Descriptor: 1,2-ETHANEDIOL, Dehaloperoxidase A, OXYGEN MOLECULE, ...
Authors:Wang, C, Lovelace, L, Lebioda, L.
Deposit date:2013-05-03
Release date:2014-03-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Influence of heme environment structure on dioxygen affinity for the dual function Amphitrite ornata hemoglobin/dehaloperoxidase. Insights into the evolutional structure-function adaptations.
Arch.Biochem.Biophys., 545, 2014
3O89
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BU of 3o89 by Molmil
Crystal Structure of Sperm Whale Myoglobin G65T
Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Huang, X, Lovelace, L, Lebioda, L.
Deposit date:2010-08-02
Release date:2011-12-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Investigations of Structural Factors that Influence the Mechanism of Halophenol Dehalogenation using 'Peroxidase-Like' Myoglobin mutants and 'Myoglobin-Like' Amphitrite ornata Dehaloperoxidase Mutants
TO BE PUBLISHED
3UCD
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BU of 3ucd by Molmil
Asymmetric complex of human neuron specific enolase-2-PGA/PEP
Descriptor: 2-PHOSPHOGLYCERIC ACID, Gamma-enolase, MAGNESIUM ION, ...
Authors:Qin, J, Chai, G, Brewer, J, Lovelace, L, Lebioda, L.
Deposit date:2011-10-26
Release date:2012-08-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Structures of asymmetric complexes of human neuron specific enolase with resolved substrate and product and an analogous complex with two inhibitors indicate subunit interaction and inhibitor cooperativity.
J.Inorg.Biochem., 111, 2012
3UJS
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BU of 3ujs by Molmil
Asymmetric complex of human neuron specific enolase-6-PGA/PEP
Descriptor: (2R)-2-(phosphonooxy)propanoic acid, (2R)-3-oxo-2-(phosphonooxy)propanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Qin, J, Chai, G, Brewer, J, Lovelace, L, Lebioda, L.
Deposit date:2011-11-08
Release date:2012-08-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structures of asymmetric complexes of human neuron specific enolase with resolved substrate and product and an analogous complex with two inhibitors indicate subunit interaction and inhibitor cooperativity.
J.Inorg.Biochem., 111, 2012
3UJE
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BU of 3uje by Molmil
Asymmetric complex of human neuron specific enolase-3-PGA/PEP
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-PHOSPHOGLYCERIC ACID, Gamma-enolase, ...
Authors:Qin, J, Chai, G, Brewer, J, Lovelace, L, Lebioda, L.
Deposit date:2011-11-07
Release date:2012-08-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structures of asymmetric complexes of human neuron specific enolase with resolved substrate and product and an analogous complex with two inhibitors indicate subunit interaction and inhibitor cooperativity.
J.Inorg.Biochem., 111, 2012
3UCC
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BU of 3ucc by Molmil
Asymmetric complex of human neuron specific enolase-1-PGA/PEP
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-PHOSPHOGLYCERIC ACID, Gamma-enolase, ...
Authors:Qin, J, Chai, G, Brewer, J, Lovelace, L, Lebioda, L.
Deposit date:2011-10-26
Release date:2012-08-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structures of asymmetric complexes of human neuron specific enolase with resolved substrate and product and an analogous complex with two inhibitors indicate subunit interaction and inhibitor cooperativity.
J.Inorg.Biochem., 111, 2012
3UJF
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Asymmetric complex of human neuron specific enolase-4-PGA/PEP
Descriptor: 2-PHOSPHOGLYCERIC ACID, Gamma-enolase, MAGNESIUM ION, ...
Authors:Qin, J, Chai, G, Brewer, J, Lovelace, L, Lebioda, L.
Deposit date:2011-11-07
Release date:2012-08-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of asymmetric complexes of human neuron specific enolase with resolved substrate and product and an analogous complex with two inhibitors indicate subunit interaction and inhibitor cooperativity.
J.Inorg.Biochem., 111, 2012
3UJR
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BU of 3ujr by Molmil
Asymmetric complex of human neuron specific enolase-5-PGA/PEP
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-PHOSPHOGLYCERIC ACID, Gamma-enolase, ...
Authors:Qin, J, Chai, G, Brewer, J, Lovelace, L, Lebioda, L.
Deposit date:2011-11-08
Release date:2012-08-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structures of asymmetric complexes of human neuron specific enolase with resolved substrate and product and an analogous complex with two inhibitors indicate subunit interaction and inhibitor cooperativity.
J.Inorg.Biochem., 111, 2012
3HVM
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BU of 3hvm by Molmil
Agmatine Deiminase from Helicobacter pylori
Descriptor: AGMATINE DEIMINASE
Authors:Jones, J, Lovelace, L, Lebioda, L, Thompson, P.
Deposit date:2009-06-16
Release date:2010-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Characterization and inactivation of an agmatine deiminase from Helicobacter pylori.
Bioorg.Chem., 38, 2010
1N2K
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BU of 1n2k by Molmil
Crystal structure of a covalent intermediate of endogenous human arylsulfatase A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ARYLSULFATASE A, ...
Authors:Chruszcz, M, Laidler, P, Monkiewicz, M, Ortlund, E, Lebioda, L, Lewinski, K.
Deposit date:2002-10-23
Release date:2003-12-23
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal structure of a covalent intermediate of endogenous human arylsulfatase A.
J.Inorg.Biochem., 96, 2003
1ND5
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BU of 1nd5 by Molmil
Crystal Structures of Human Prostatic Acid Phosphatase in Complex with a Phosphate Ion and alpha-Benzylaminobenzylphosphonic Acid Update the Mechanistic Picture and Offer New Insights into Inhibitor Design
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ortlund, E, LaCount, M.W, Lebioda, L.
Deposit date:2002-12-07
Release date:2002-12-20
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structures of human prostatic acid phosphatase in complex with a phosphate ion and alpha-benzylaminobenzylphosphonic acid update the mechanistic picture and offer new insights into inhibitor design
Biochemistry, 42, 2003
1ND6
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BU of 1nd6 by Molmil
Crystal Structures of Human Prostatic Acid Phosphatase in Complex with a Phosphate Ion and alpha-Benzylaminobenzylphosphonic Acid Update the Mechanistic Picture and Offer New Insights into Inhibitor Design
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, ...
Authors:Ortlund, E, LaCount, M.W, Lebioda, L.
Deposit date:2002-12-07
Release date:2002-12-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of human prostatic acid phosphatase in complex with a phosphate ion and alpha-benzylaminobenzylphosphonic acid update the mechanistic picture and offer new insights into inhibitor design
Biochemistry, 42, 2003
1QQQ
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BU of 1qqq by Molmil
CRYSTAL STRUCTURE ANALYSIS OF SER254 MUTANT OF ESCHERICHIA COLI THYMIDYLATE SYNTHASE
Descriptor: SULFATE ION, THYMIDYLATE SYNTHASE
Authors:Fantz, C, Shaw, D, Jennings, W, Forsthoefel, A, Kitchens, M, Phan, J, Minor, W, Lebioda, L, Berger, F.G, Spencer, H.T.
Deposit date:1999-06-07
Release date:1999-06-14
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Drug-resistant variants of Escherichia coli thymidylate synthase: effects of substitutions at Pro-254.
Mol.Pharmacol., 57, 2000
1HW3
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BU of 1hw3 by Molmil
STRUCTURE OF HUMAN THYMIDYLATE SYNTHASE SUGGESTS ADVANTAGES OF CHEMOTHERAPY WITH NONCOMPETITIVE INHIBITORS
Descriptor: 1,2-ETHANEDIOL, SULFATE ION, THYMIDYLATE SYNTHASE
Authors:Phan, J, Steadman, J.D, Koli, S, Ding, W.C, Minor, W, Dunlap, R.B, Berger, S.H, Lebioda, L.
Deposit date:2001-01-09
Release date:2001-01-24
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of human thymidylate synthase suggests advantages of chemotherapy with noncompetitive inhibitors.
J.Biol.Chem., 276, 2001
1HVY
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BU of 1hvy by Molmil
Human thymidylate synthase complexed with dUMP and Raltitrexed, an antifolate drug, is in the closed conformation
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, BETA-MERCAPTOETHANOL, THYMIDYLATE SYNTHASE, ...
Authors:Phan, J, Koli, S, Minor, W, Dunlap, R.B, Berger, S.H, Lebioda, L.
Deposit date:2001-01-08
Release date:2001-01-31
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Human thymidylate synthase is in the closed conformation when complexed with dUMP and raltitrexed, an antifolate drug
Biochemistry, 40, 2001
1HW4
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BU of 1hw4 by Molmil
STRUCTURE OF THYMIDYLATE SYNTHASE SUGGESTS ADVANTAGES OF CHEMOTHERAPY WITH NONCOMPETITIVE INHIBITORS
Descriptor: 1,2-ETHANEDIOL, SULFATE ION, THYMIDYLATE SYNTHASE
Authors:Phan, J, Steadman, J.D, Koli, S, Ding, W.C, Minor, W, Dunlap, R.B, Berger, S.H, Lebioda, L.
Deposit date:2001-01-09
Release date:2001-01-24
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Structure of human thymidylate synthase suggests advantages of chemotherapy with noncompetitive inhibitors.
J.Biol.Chem., 276, 2001
1IW2
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BU of 1iw2 by Molmil
X-ray structure of Human Complement Protein C8gamma at pH=7.O
Descriptor: Complement Protein C8gamma
Authors:Ortlund, E, Parker, C.L, Schreck, S.F, Ginell, S, Minor, W, Sodetz, J.M, Lebioda, L.
Deposit date:2002-04-11
Release date:2002-06-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of human complement protein C8gamma at 1.2 A resolution reveals a lipocalin fold and a distinct ligand binding site.
Biochemistry, 41, 2002
1LF7
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BU of 1lf7 by Molmil
Crystal Structure of Human Complement Protein C8gamma at 1.2 A Resolution
Descriptor: CITRIC ACID, Complement Protein C8gamma
Authors:Ortlund, E, Parker, C.L, Schreck, S.F, Ginell, S, Minor, W, Sodetz, J.M, Lebioda, L.
Deposit date:2002-04-10
Release date:2002-06-12
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal structure of human complement protein C8gamma at 1.2 A resolution reveals a lipocalin fold and a distinct ligand binding site.
Biochemistry, 41, 2002
4PGA
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BU of 4pga by Molmil
GLUTAMINASE-ASPARAGINASE FROM PSEUDOMONAS 7A
Descriptor: AMMONIUM ION, GLUTAMINASE-ASPARAGINASE, SULFATE ION
Authors:Jakob, C.G, Lewinski, K, Lacount, M.W, Roberts, J, Lebioda, L.
Deposit date:1997-01-14
Release date:1997-07-23
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Ion binding induces closed conformation in Pseudomonas 7A glutaminase-asparaginase (PGA): crystal structure of the PGA-SO4(2-)-NH4+ complex at 1.7 A resolution.
Biochemistry, 36, 1997
1N2L
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BU of 1n2l by Molmil
Crystal structure of a covalent intermediate of endogenous human arylsulfatase A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ARYLSULFATASE A, ...
Authors:Chruszcz, M, Laidler, P, Monkiewicz, M, Ortlund, E, Lebioda, L, Lewinski, K.
Deposit date:2002-10-23
Release date:2003-12-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of a covalent intermediate of endogenous human arylsulfatase A.
J.Inorg.Biochem., 96, 2003
3OB7
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BU of 3ob7 by Molmil
Human Thymidylate Synthase R163K with Cys 195 covalently modified by Glutathione
Descriptor: GLUTATHIONE, PHOSPHATE ION, Thymidylate synthase
Authors:Gibson, L.M, Celeste, L.R, Lovelace, L.L, Lebioda, L.
Deposit date:2010-08-06
Release date:2010-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structures of human thymidylate synthase R163K with dUMP, FdUMP and glutathione show asymmetric ligand binding.
Acta Crystallogr.,Sect.D, 67, 2011
3U3E
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BU of 3u3e by Molmil
Complex of Wild Type Myoglobin with Phenol in its Proximal Cavity
Descriptor: Myoglobin, PHENOL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Celeste, L.R, Lebioda, L.
Deposit date:2011-10-05
Release date:2012-11-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Complex of myoglobin with phenol bound in a proximal cavity.
Acta Crystallogr.,Sect.F, 68, 2012
3OJY
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BU of 3ojy by Molmil
Crystal Structure of Human Complement Component C8
Descriptor: CALCIUM ION, Complement component C8 alpha chain, Complement component C8 beta chain, ...
Authors:Lovelace, L.L, Cooper, C.L, Sodetz, J.M, Lebioda, L.
Deposit date:2010-08-23
Release date:2011-04-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Structure of human C8 protein provides mechanistic insight into membrane pore formation by complement.
J.Biol.Chem., 286, 2011

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