2ATE
 
 | | Structure of the complex of PurE with NitroAIR | | Descriptor: | ((2R,3S,4R,5R)-5-(5-AMINO-4-NITRO-1H-IMIDAZOL-1-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL)METHYL DIHYDROGEN PHOSPHATE, Phosphoribosylaminoimidazole carboxylase catalytic subunit | | Authors: | Kappock, T.J, Mathews, I.I, Zaugg, J.B, Peng, P, Hoskins, A.A, Okamoto, A, Ealick, S.E, Stubbe, J. | | Deposit date: | 2005-08-24 | | Release date: | 2006-08-29 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | N5-CAIR mutase: role of a CO2 binding site and substrate movement in catalysis.
Biochemistry, 46, 2007
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4D8P
 | | Structural and functional studies of the trans-encoded HLA-DQ2.3 (DQA1*03:01/DQB1*02:01) molecule | | Descriptor: | GLYCEROL, HLA-DQA1 protein, Peptide from Gamma-gliadin,HLA class II histocompatibility antigen, ... | | Authors: | Kim, C.-Y, Hotta, K, Mathews, I.I, Chen, X. | | Deposit date: | 2012-01-11 | | Release date: | 2012-03-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Structural and functional studies of trans-encoded HLA-DQ2.3 (DQA1*03:01/DQB1*02:01) protein molecule
J.Biol.Chem., 287, 2012
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9BC4
 | | Transglutaminase 2 - Intermediate State | | Descriptor: | CALCIUM ION, GLYCEROL, HB-225 (gluten peptidomimetic TG2 inhibitor), ... | | Authors: | Sewa, A.S, Mathews, I.I, Khosla, C. | | Deposit date: | 2024-04-07 | | Release date: | 2024-07-03 | | Last modified: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Structural and mechanistic analysis of Ca 2+ -dependent regulation of transglutaminase 2 activity using a Ca 2+ -bound intermediate state.
Proc.Natl.Acad.Sci.USA, 121, 2024
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6APM
 | | Hen egg-white lysozyme (WT), solved with serial millisecond crystallography using synchrotron radiation | | Descriptor: | Lysozyme C, SODIUM ION | | Authors: | Lyubimov, A.Y, Mathews, I.I, Uervivojnangkoorn, M, Soltis, S.M, Cohen, A.E. | | Deposit date: | 2017-08-17 | | Release date: | 2018-04-04 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | The Conformational Flexibility of the Acyltransferase from the Disorazole Polyketide Synthase Is Revealed by an X-ray Free-Electron Laser Using a Room-Temperature Sample Delivery Method for Serial Crystallography.
Biochemistry, 56, 2017
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6APK
 | | Trans-acting transferase from Disorazole synthase solved by serial femtosecond XFEL crystallography | | Descriptor: | DisD protein | | Authors: | Lyubimov, A.Y, Mathews, I.I, Uervivojnangkoorn, M, Khosla, C, Soltis, S.M, Cohen, A.E. | | Deposit date: | 2017-08-17 | | Release date: | 2018-04-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The Conformational Flexibility of the Acyltransferase from the Disorazole Polyketide Synthase Is Revealed by an X-ray Free-Electron Laser Using a Room-Temperature Sample Delivery Method for Serial Crystallography.
Biochemistry, 56, 2017
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2BKL
 | | Structural and Mechanistic Analysis of Two Prolyl Endopeptidases: Role of Inter-Domain Dynamics in Catalysis and Specificity | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, N-[(BENZYLOXY)CARBONYL]-L-ALANYL-L-PROLINE, PROLYL ENDOPEPTIDASE, ... | | Authors: | Khosla, C, Shan, L, Mathews, I.I. | | Deposit date: | 2005-02-16 | | Release date: | 2005-03-09 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural and Mechanistic Analysis of Two Prolyl Endopeptidases: Role of Interdomain Dynamics in Catalysis and Specificity
Proc.Natl.Acad.Sci.USA, 102, 2005
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4RA0
 | | An engineered Axl 'decoy receptor' effectively silences the Gas6-Axl signaling axis | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Kariolis, M.S, Kapur, S, Mathews, I.I, Cochran, J.R. | | Deposit date: | 2014-09-09 | | Release date: | 2014-09-24 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3.07 Å) | | Cite: | An engineered Axl 'decoy receptor' effectively silences the Gas6-Axl signaling axis.
Nat.Chem.Biol., 10, 2014
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6C9U
 | | Crystal structure of [KS3][AT3] didomain from module 3 of 6-deoxyerthronolide B synthase in complex with antibody fragment (Fab) | | Descriptor: | 6-deoxyerythronolide-B synthase EryA2, modules 3 and 4, Heavy chain of Fab 1B2, ... | | Authors: | Deis, L.N, Li, X, Mathews, I.I, Khosla, C. | | Deposit date: | 2018-01-28 | | Release date: | 2018-05-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Structure-Function Analysis of the Extended Conformation of a Polyketide Synthase Module.
J. Am. Chem. Soc., 140, 2018
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4RDS
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7RRH
 | | Crystal structure of fast switching R66M/M159T mutant of fluorescent protein Dronpa (Dronpa2) | | Descriptor: | Fluorescent protein Dronpa | | Authors: | Lin, C.-Y, Romei, M.G, Mathews, I.I, Boxer, S.G. | | Deposit date: | 2021-08-09 | | Release date: | 2021-10-13 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.747 Å) | | Cite: | Energetic Basis and Design of Enzyme Function Demonstrated Using GFP, an Excited-State Enzyme.
J.Am.Chem.Soc., 144, 2022
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7RRJ
 | | Crystal structure of fast switching M159Q mutant of fluorescent protein Dronpa (Dronpa2) | | Descriptor: | Fluorescent protein Dronpa | | Authors: | Lin, C.-Y, Romei, M.G, Mathews, I.I, Boxer, S.G. | | Deposit date: | 2021-08-09 | | Release date: | 2021-10-13 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Energetic Basis and Design of Enzyme Function Demonstrated Using GFP, an Excited-State Enzyme.
J.Am.Chem.Soc., 144, 2022
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7RRI
 | | Crystal structure of fast switching S142A/M159T mutant of fluorescent protein Dronpa (Dronpa2) | | Descriptor: | Fluorescent protein Dronpa | | Authors: | Lin, C.-Y, Romei, M.G, Mathews, I.I, Boxer, S.G. | | Deposit date: | 2021-08-09 | | Release date: | 2021-10-13 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.643 Å) | | Cite: | Energetic Basis and Design of Enzyme Function Demonstrated Using GFP, an Excited-State Enzyme.
J.Am.Chem.Soc., 144, 2022
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7RRK
 | | Crystal structure of fast switching M159E mutant of fluorescent protein Dronpa (Dronpa2) | | Descriptor: | Fluorescent protein Dronpa | | Authors: | Lin, C.-Y, Romei, M.G, Mathews, I.I, Boxer, S.G. | | Deposit date: | 2021-08-09 | | Release date: | 2021-10-13 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.929 Å) | | Cite: | Energetic Basis and Design of Enzyme Function Demonstrated Using GFP, an Excited-State Enzyme.
J.Am.Chem.Soc., 144, 2022
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8DDZ
 | | TEM-1 beta-lactamase A237Y | | Descriptor: | Beta-lactamase TEM | | Authors: | Ji, Z, Boxer, S.G, Mathews, I.I. | | Deposit date: | 2022-06-19 | | Release date: | 2022-09-07 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Protein Electric Fields Enable Faster and Longer-Lasting Covalent Inhibition of beta-Lactamases.
J.Am.Chem.Soc., 144, 2022
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8DE1
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8DE2
 | | TEM-1 beta-lactamase A237Y mutant covalently bound to avibactam, a room temperature structure | | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase TEM | | Authors: | Ji, Z, Boxer, S.G, Mathews, I.I. | | Deposit date: | 2022-06-19 | | Release date: | 2022-09-07 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Protein Electric Fields Enable Faster and Longer-Lasting Covalent Inhibition of beta-Lactamases.
J.Am.Chem.Soc., 144, 2022
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8DE0
 | | TEM-1 beta-lactamase covalently bound to avibactam | | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase TEM | | Authors: | Ji, Z, Boxer, S.G, Mathews, I.I. | | Deposit date: | 2022-06-19 | | Release date: | 2022-09-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Protein Electric Fields Enable Faster and Longer-Lasting Covalent Inhibition of beta-Lactamases.
J.Am.Chem.Soc., 144, 2022
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8DGG
 | | Structure of glycosylated LAG-3 homodimer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Silberstein, J.L, Mathews, I.I, Frank, J.A, Chan, K.-W, Fernandez, D, Du, J, Wang, J, Kong, X.-P, Cochran, J.R. | | Deposit date: | 2022-06-23 | | Release date: | 2022-08-17 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (3.78 Å) | | Cite: | Structural insights reveal interplay between LAG-3 homodimerization, ligand binding, and function.
Proc.Natl.Acad.Sci.USA, 121, 2024
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3HAT
 | | ACTIVE SITE MIMETIC INHIBITION OF THROMBIN | | Descriptor: | FPAM (FIBRINOPEPTIDE A MIMIC), Hirudin variant-2, Thrombin heavy chain, ... | | Authors: | Tulinsky, A, Mathews, I.I. | | Deposit date: | 1994-10-16 | | Release date: | 1995-02-27 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Active-site mimetic inhibition of thrombin.
Acta Crystallogr.,Sect.D, 51, 1995
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1YR2
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6V2J
 | | Crystal structure of ClC-ec1 triple mutant (E113Q, E148Q, E203Q) | | Descriptor: | CHLORIDE ION, H(+)/Cl(-) exchange transporter ClcA | | Authors: | Maduke, M, Mathews, I.I, Chavan, T.S. | | Deposit date: | 2019-11-24 | | Release date: | 2020-05-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | A CLC-ec1 mutant reveals global conformational change and suggests a unifying mechanism for the CLC Cl - /H + transport cycle.
Elife, 9, 2020
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6W7S
 | | Ketoreductase from module 1 of the 6-deoxyerythronolide B synthase (KR1) in complex with antibody fragment (Fab) 2G10 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2G10 (Fab heavy chain), 2G10 (Fab light chain), ... | | Authors: | Cogan, D.P, Mathews, I.I, Khosla, C. | | Deposit date: | 2020-03-19 | | Release date: | 2020-09-09 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Antibody Probes of Module 1 of the 6-Deoxyerythronolide B Synthase Reveal an Extended Conformation During Ketoreduction.
J.Am.Chem.Soc., 142, 2020
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6WH9
 | | Ketoreductase from module 1 of the 6-deoxyerythronolide B synthase (KR1) in complex with antibody fragment (Fab) 1D10 | | Descriptor: | 1D10 (Fab heavy chain), 1D10 (Fab light chain), KR1, ... | | Authors: | Cogan, D.P, Mathews, I.I, Khosla, C. | | Deposit date: | 2020-04-07 | | Release date: | 2020-09-09 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Antibody Probes of Module 1 of the 6-Deoxyerythronolide B Synthase Reveal an Extended Conformation During Ketoreduction.
J.Am.Chem.Soc., 142, 2020
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7MHA
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6OFN
 | | Crystal structure of green fluorescent protein (GFP); S65T, T203(3-OMeY); ih circular permutant (50-51) | | Descriptor: | Green fluorescent protein (GFP); S65T, T203(3-OMeY); ih circular permutant (50-51) | | Authors: | Lin, C.-Y, Romei, M.G, Mathews, I.I, Boxer, S.G. | | Deposit date: | 2019-03-31 | | Release date: | 2019-07-10 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.649 Å) | | Cite: | Unified Model for Photophysical and Electro-Optical Properties of Green Fluorescent Proteins.
J.Am.Chem.Soc., 141, 2019
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