4RZM
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![BU of 4rzm by Molmil](/molmil-images/mine/4rzm) | Crystal structure of the Lsd19-lasalocid A complex | Descriptor: | CHLORIDE ION, Epoxide hydrolase LasB, FORMIC ACID, ... | Authors: | Mathews, I.I, Hotta, K, Chen, X, Kim, C.-Y. | Deposit date: | 2014-12-22 | Release date: | 2015-01-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Epoxide hydrolase-lasalocid a structure provides mechanistic insight into polyether natural product biosynthesis. J.Am.Chem.Soc., 137, 2015
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7MCC
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![BU of 7mcc by Molmil](/molmil-images/mine/7mcc) | Crystal structure of an AI-designed TIM-barrel F2C | Descriptor: | AI-designed TIM-barrel F2C, SULFATE ION | Authors: | Mathews, I.I, Anand-Achim, N, Perez, C.P, Huang, P.S. | Deposit date: | 2021-04-02 | Release date: | 2022-01-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Protein sequence design with a learned potential. Nat Commun, 13, 2022
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7MCD
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1EKQ
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1ESJ
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![BU of 1esj by Molmil](/molmil-images/mine/1esj) | CRYSTAL STRUCTURE OF THIAZOLE KINASE MUTANT (C198S) | Descriptor: | HYDROXYETHYLTHIAZOLE KINASE, SULFATE ION | Authors: | Campobasso, N, Mathews, I.I, Begley, T.P, Ealick, S.E. | Deposit date: | 2000-04-10 | Release date: | 2000-08-09 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of 4-methyl-5-beta-hydroxyethylthiazole kinase from Bacillus subtilis at 1.5 A resolution. Biochemistry, 39, 2000
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8T3P
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7S6B
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4D8P
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![BU of 4d8p by Molmil](/molmil-images/mine/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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2BKL
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![BU of 2bkl by Molmil](/molmil-images/mine/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
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![BU of 4ra0 by Molmil](/molmil-images/mine/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: | 2023-09-20 | 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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4RDS
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8VTO
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7RRH
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![BU of 7rrh by Molmil](/molmil-images/mine/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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7RRK
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![BU of 7rrk by Molmil](/molmil-images/mine/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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7RRJ
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![BU of 7rrj by Molmil](/molmil-images/mine/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
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![BU of 7rri by Molmil](/molmil-images/mine/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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9BC4
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![BU of 9bc4 by Molmil](/molmil-images/mine/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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6C9U
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![BU of 6c9u by Molmil](/molmil-images/mine/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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1FPC
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![BU of 1fpc by Molmil](/molmil-images/mine/1fpc) | ACTIVE SITE MIMETIC INHIBITION OF THROMBIN | Descriptor: | Hirudin, amino{[(4S)-4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)-5-(4-ethylpiperidin-1-yl)-5-oxopentyl]amino}methaniminium, thrombin | Authors: | Tulinsky, A, Mathews, I.I. | Deposit date: | 1994-10-16 | Release date: | 1995-02-27 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Active-site mimetic inhibition of thrombin. Acta Crystallogr.,Sect.D, 51, 1995
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6APK
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![BU of 6apk by Molmil](/molmil-images/mine/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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6APM
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![BU of 6apm by Molmil](/molmil-images/mine/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: | 2023-10-04 | 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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6WH9
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![BU of 6wh9 by Molmil](/molmil-images/mine/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: | 2023-10-18 | 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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1HLT
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7SH1
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![BU of 7sh1 by Molmil](/molmil-images/mine/7sh1) | Class II UvrA protein - Ecm16 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Excinuclease ABC subunit UvrA, ... | Authors: | Grade, P, Erlandson, A, Ullah, A, Mathews, I.I, Chen, X, Kim, C.-Y, Mera, P.E. | Deposit date: | 2021-10-07 | Release date: | 2022-10-26 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structural and functional analyses of the echinomycin resistance conferring protein Ecm16 from Streptomyces lasalocidi. Sci Rep, 13, 2023
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8VTN
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