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Iterative approach to computational enzyme design

Proceedings of the National Academy of Sciences - PNAS, 2012-03, Vol.109 (10), p.3790-3795

2012

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Kinetic, spectral, and structural studies of the slow-binding inhibition of the Escherichia coli dihydrodipicolinate synthase by 2, 4-oxo-pentanoic acid

Archives of biochemistry and biophysics, 2021-05, Vol.702, p.108819-108819, Article 108819

2021

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Crystal Structure of Prostate-Specific Membrane Antigen, a Tumor Marker and Peptidase

Proceedings of the National Academy of Sciences - PNAS, 2005-04, Vol.102 (17), p.5981-5986

2005

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Crystal structure of HLA-A2 bound to LIR-1, a host and viral major histocompatibility complex receptor

Nature immunology, 2003-09, Vol.4 (9), p.913-919

2003

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Ternary complexes of isopentenyl phosphate kinase from Thermococcus paralvinellae reveal molecular determinants of non‐natural substrate specificity

Proteins, structure, function, and bioinformatics, 2024-07, Vol.92 (7), p.808-818

2024

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Distal Pocket Control of Nitrite Binding in Myoglobin

Angewandte Chemie (International ed.), 2012-04, Vol.51 (15), p.3625-3627

International ed. in English, 2012

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The nitrosoamphetamine metabolite is accommodated in the active site of human hemoglobin: Spectroscopy and crystal structure

Journal of inorganic biochemistry, 2020-12, Vol.213, p.111262-111262, Article 111262

2020

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Interactions of metronidazole and chloramphenicol with myoglobin: Crystal structure of a Mb-acetamide product

Journal of porphyrins and phthalocyanines, 2023-10, Vol.27 (7n10), p.1142-1147

2023

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Structure of a Cofactor-Deficient Nitrogenase MoFe Protein

Science (American Association for the Advancement of Science), 2002-04, Vol.296 (5566), p.352-356

2002

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Molecular Basis for the Substrate Promiscuity of Isopentenyl Phosphate Kinase from Candidatus methanomethylophilus alvus

ACS chemical biology, 2022-01, Vol.17 (1), p.85-102

2022

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Crystal structure of a putative 3‐hydroxypimelyl‐CoA dehydrogenase, Hcd1, from Syntrophus aciditrophicus strain SB at 1.78 Å resolution

Acta crystallographica. Section F, Structural biology communications, 2023-06, Vol.79 (6), p.151-158

2023

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Insights into Nitrosoalkane Binding to Myoglobin Provided by Crystallography of Wild-Type and Distal Pocket Mutant Derivatives

Biochemistry (Easton), 2023-04, Vol.62 (8), p.1406-1419

2023

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Crystal structural investigations of heme protein derivatives resulting from reactions of aryl- and alkylhydroxylamines with human hemoglobin

Journal of inorganic biochemistry, 2023-09, Vol.246, p.112304-112304, Article 112304

2023

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Nitrosyl Myoglobins and Their Nitrite Precursors: Crystal Structural and Quantum Mechanics and Molecular Mechanics Theoretical Investigations of Preferred Fe–NO Ligand Orientations in Myoglobin Distal Pockets

Biochemistry (Easton), 2018-08, Vol.57 (32), p.4788-4802

2018

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Inhibitor design to target a unique feature in the folate pocket of Staphylococcus aureus dihydrofolate reductase

European journal of medicinal chemistry, 2020-08, Vol.200, p.112412-112412, Article 112412

2020

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Organometallic myoglobins: Formation of Fe–carbon bonds and distal pocket effects on aryl ligand conformations

Journal of inorganic biochemistry, 2016-11, Vol.164, p.1-4

2016

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Cuba-US Relations: Obama and Beyond by Arnold August (review)

Journal of Global South Studies, 2018-10, Vol.35 (2), p.442

Leonard, Thomas M

2018

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Using Molecular Dynamics Simulations as an Aid in the Prediction of Domain Swapping of Computationally Designed Protein Variants

Journal of molecular biology, 2015-08, Vol.427 (16), p.2697-2706

2015

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Degradation of human hemoglobin by organic C-nitroso compounds

Chemical communications (Cambridge, England), 2013-12, Vol.49 (95), p.11179-11181

2013

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Structures and Energetics of Four Adjacent G·U Pairs That Stabilize an RNA Helix

The journal of physical chemistry. B, 2015-10, Vol.119 (42), p.13252-13261

2015

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Nitrosoamphetamine binding to myoglobin and hemoglobin: Crystal structure of the H64A myoglobin-nitrosoamphetamine adduct

Nitric oxide, 2017-07, Vol.67, p.26-29

2017

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Crystal structure and DNA binding activity of a PadR family transcription regulator from hypervirulent Clostridium difficile R20291

BMC microbiology, 2016-10, Vol.16 (1), p.231-231, Article 231

2016

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Crystallographic Trapping of Heme Loss Intermediates during the Nitrite-Induced Degradation of Human Hemoglobin

Biochemistry (Easton), 2011-10, Vol.50 (39), p.8323-8332

2011

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Crystal structures of two nitroreductases from hypervirulent Clostridium difficile and functionally related interactions with the antibiotic metronidazole

Nitric oxide, 2016-11, Vol.60 (C), p.32-39

2016

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Dioxane contributes to the altered conformation and oligomerization state of a designed engrailed homeodomain variant

Protein science, 2005-04, Vol.14 (4), p.1115-1119

2005

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