2QAF
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![BU of 2qaf by Molmil](/molmil-images/mine/2qaf) | Crystal structure of Plasmodium falciparum orotidine 5'-phosphate decarboxylase covalently modified by 6-iodo-UMP | Descriptor: | Orotidine 5' monophosphate decarboxylase, SULFATE ION, URIDINE-5'-MONOPHOSPHATE | Authors: | Liu, Y, Lau, W, Bello, A.M, Kotra, L.P, Hui, R, Pai, E.F. | Deposit date: | 2007-06-15 | Release date: | 2008-04-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-activity relationships of C6-uridine derivatives targeting plasmodia orotidine monophosphate decarboxylase J.Med.Chem., 51, 2008
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3UMB
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![BU of 3umb by Molmil](/molmil-images/mine/3umb) | Crystal Structure of the L-2-Haloacid Dehalogenase RSc1362 | Descriptor: | CHLORIDE ION, MAGNESIUM ION, POTASSIUM ION, ... | Authors: | Petit, P, Chan, P.W.Y, Savchenko, A, Yakunin, A.F, Edwards, E.A, Pai, E.F. | Deposit date: | 2011-11-12 | Release date: | 2012-11-14 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural adaptations of L-2-haloacid dehalogenases that enable hydrolytic defluorination To be Published
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3UMG
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![BU of 3umg by Molmil](/molmil-images/mine/3umg) | Crystal Structure of the Defluorinating L-2-Haloacid Dehalogenase Rha0230 | Descriptor: | CHLORIDE ION, Haloacid dehalogenase | Authors: | Chan, P.W.Y, Savchenko, A, Yakunin, A.F, Edwards, E.A, Pai, E.F. | Deposit date: | 2011-11-13 | Release date: | 2012-11-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural adaptations of L-2-haloacid dehalogenases that enable hydrolytic defluorination To be Published
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3UNA
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![BU of 3una by Molmil](/molmil-images/mine/3una) | Crystal Structure of Bovine Milk Xanthine Dehydrogenase with NAD Bound | Descriptor: | 2-HYDROXYBENZOIC ACID, CALCIUM ION, CARBONATE ION, ... | Authors: | Eger, B.T, Okamoto, K, Nishino, T, Pai, E.F. | Deposit date: | 2011-11-15 | Release date: | 2012-05-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Protein conformational gating of enzymatic activity in xanthine oxidoreductase. J.Am.Chem.Soc., 134, 2012
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2NNJ
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![BU of 2nnj by Molmil](/molmil-images/mine/2nnj) | CYP2C8dH complexed with felodipine | Descriptor: | Cytochrome P450 2C8, FELODIPINE, PALMITIC ACID, ... | Authors: | Schoch, G.A, Yano, J.K, Stout, C.D, Johnson, E.F. | Deposit date: | 2006-10-24 | Release date: | 2007-10-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Determinants of cytochrome P450 2C8 substrate binding: structures of complexes with montelukast, troglitazone, felodipine, and 9-cis-retinoic acid. J.Biol.Chem., 283, 2008
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1EQ9
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![BU of 1eq9 by Molmil](/molmil-images/mine/1eq9) | CRYSTAL STRUCTURE OF FIRE ANT CHYMOTRYPSIN COMPLEXED TO PMSF | Descriptor: | CHYMOTRYPSIN, phenylmethanesulfonic acid | Authors: | Botos, I, Meyer, E, Nguyen, M.H, Swanson, S.M, Meyer, E.F. | Deposit date: | 2000-04-03 | Release date: | 2000-10-03 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The structure of an insect chymotrypsin. J.Mol.Biol., 298, 2000
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6OEZ
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![BU of 6oez by Molmil](/molmil-images/mine/6oez) | Crystal structure of Trypanothione Reductase from Trypanosoma brucei in complex with inhibitor (+)-N-(Cyclobutylmethyl)-3-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-2-(1-{[(2S)-pyrro-lidin-2-yl]methyl}-1H-indol-5-yl)-1,3-thiazol-4-yl}prop-2-yn-1-amine | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, N-(cyclobutylmethyl)-3-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-2-(1-{[(2S)-pyrrolidin-2-yl]methyl}-1H-indol-5-yl)-1,3-thiazol-4-yl}prop-2-yn-1-amine, ... | Authors: | Halgas, O, De Gasparo, R, Harangozo, D, Krauth-Siegel, R.L, Diederich, F, Pai, E.F. | Deposit date: | 2019-03-28 | Release date: | 2019-07-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Targeting a Large Active Site: Structure-Based Design of Nanomolar Inhibitors of Trypanosoma brucei Trypanothione Reductase. Chemistry, 25, 2019
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6P41
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![BU of 6p41 by Molmil](/molmil-images/mine/6p41) | |
6P43
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![BU of 6p43 by Molmil](/molmil-images/mine/6p43) | |
6P42
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![BU of 6p42 by Molmil](/molmil-images/mine/6p42) | |
6Q88
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![BU of 6q88 by Molmil](/molmil-images/mine/6q88) | RT structure of HEWL at 5 kGy | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Lysozyme C | Authors: | de la Mora, E, Coquelle, N, Bury, C.S, Rosenthal, M, Garman, E.F, Burghammer, M, Colletier, J.P, Weik, M. | Deposit date: | 2018-12-14 | Release date: | 2020-01-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.74007058 Å) | Cite: | Radiation damage and dose limits in serial synchrotron crystallography at cryo- and room temperatures. Proc.Natl.Acad.Sci.USA, 117, 2020
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6QKU
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![BU of 6qku by Molmil](/molmil-images/mine/6qku) | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Tyr219Phe - Chloroacetate soaked 2hr | Descriptor: | CHLORIDE ION, Fluoroacetate dehalogenase, GLYCOLIC ACID, ... | Authors: | Mehrabi, P, Kim, T.H, Prosser, R.S, Pai, E.F. | Deposit date: | 2019-01-30 | Release date: | 2019-06-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.511 Å) | Cite: | Substrate-Based Allosteric Regulation of a Homodimeric Enzyme. J.Am.Chem.Soc., 141, 2019
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6Q8T
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![BU of 6q8t by Molmil](/molmil-images/mine/6q8t) | Cryo structure of HEWL at 81 kGy | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Lysozyme C | Authors: | de la Mora, E, Coquelle, N, Bury, C.S, Rosenthal, M, Garman, E.F, Burghammer, M, Colletier, J.P, Weik, M. | Deposit date: | 2018-12-16 | Release date: | 2020-01-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.74008667 Å) | Cite: | Radiation damage and dose limits in serial synchrotron crystallography at cryo- and room temperatures. Proc.Natl.Acad.Sci.USA, 117, 2020
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6QHZ
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![BU of 6qhz by Molmil](/molmil-images/mine/6qhz) | Time resolved structural analysis of the full turnover of an enzyme - 6788 ms | Descriptor: | Fluoroacetate dehalogenase, fluoroacetic acid | Authors: | Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D. | Deposit date: | 2019-01-17 | Release date: | 2019-09-25 | Method: | X-RAY DIFFRACTION (1.799 Å) | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing. Science, 365, 2019
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6QHT
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![BU of 6qht by Molmil](/molmil-images/mine/6qht) | Time resolved structural analysis of the full turnover of an enzyme - 376 ms | Descriptor: | Fluoroacetate dehalogenase, fluoroacetic acid | Authors: | Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D. | Deposit date: | 2019-01-17 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing. Science, 365, 2019
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6QI2
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![BU of 6qi2 by Molmil](/molmil-images/mine/6qi2) | Time resolved structural analysis of the full turnover of an enzyme - 13536 ms | Descriptor: | Fluoroacetate dehalogenase, GLYCOLIC ACID | Authors: | Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D. | Deposit date: | 2019-01-17 | Release date: | 2019-09-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing. Science, 365, 2019
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6QKW
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![BU of 6qkw by Molmil](/molmil-images/mine/6qkw) | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Tyr219Phe - Fluoroacetate soaked 2hr | Descriptor: | CHLORIDE ION, Fluoroacetate dehalogenase, GLYCOLIC ACID, ... | Authors: | Mehrabi, P, Kim, T.H, Prosser, R.S, Pai, E.F. | Deposit date: | 2019-01-30 | Release date: | 2019-06-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.512 Å) | Cite: | Substrate-Based Allosteric Regulation of a Homodimeric Enzyme. J.Am.Chem.Soc., 141, 2019
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6QHU
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![BU of 6qhu by Molmil](/molmil-images/mine/6qhu) | Time resolved structural analysis of the full turnover of an enzyme - 100 ms | Descriptor: | Fluoroacetate dehalogenase, fluoroacetic acid | Authors: | Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D. | Deposit date: | 2019-01-17 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing. Science, 365, 2019
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6QI1
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![BU of 6qi1 by Molmil](/molmil-images/mine/6qi1) | Time resolved structural analysis of the full turnover of an enzyme - 12312 ms | Descriptor: | Fluoroacetate dehalogenase, fluoroacetic acid | Authors: | Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D. | Deposit date: | 2019-01-17 | Release date: | 2019-09-25 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing. Science, 365, 2019
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6QHP
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![BU of 6qhp by Molmil](/molmil-images/mine/6qhp) | Time resolved structural analysis of the full turnover of an enzyme - 2256 ms covalent intermediate 1 | Descriptor: | Fluoroacetate dehalogenase, fluoroacetic acid | Authors: | Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D. | Deposit date: | 2019-01-17 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing. Science, 365, 2019
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6QHX
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![BU of 6qhx by Molmil](/molmil-images/mine/6qhx) | Time resolved structural analysis of the full turnover of an enzyme - 6156 ms | Descriptor: | Fluoroacetate dehalogenase, fluoroacetic acid | Authors: | Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D. | Deposit date: | 2019-01-17 | Release date: | 2019-09-25 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing. Science, 365, 2019
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6QKT
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![BU of 6qkt by Molmil](/molmil-images/mine/6qkt) | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Tyr219Phe - Fluoroacetate soaked 24hr - Glycolate bound | Descriptor: | Fluoroacetate dehalogenase, GLYCOLIC ACID | Authors: | Mehrabi, P, Kim, T.H, Prosser, R.S, Pai, E.F. | Deposit date: | 2019-01-30 | Release date: | 2019-06-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.512 Å) | Cite: | Substrate-Based Allosteric Regulation of a Homodimeric Enzyme. J.Am.Chem.Soc., 141, 2019
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6QHQ
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![BU of 6qhq by Molmil](/molmil-images/mine/6qhq) | Time resolved structural analysis of the full turnover of an enzyme - 1128 ms | Descriptor: | Fluoroacetate dehalogenase, fluoroacetic acid | Authors: | Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D. | Deposit date: | 2019-01-17 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.735 Å) | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing. Science, 365, 2019
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6QHW
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![BU of 6qhw by Molmil](/molmil-images/mine/6qhw) | Time resolved structural analysis of the full turnover of an enzyme - 4512 ms | Descriptor: | Fluoroacetate dehalogenase, GLYCOLIC ACID, fluoroacetic acid | Authors: | Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D. | Deposit date: | 2019-01-17 | Release date: | 2019-09-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.718 Å) | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing. Science, 365, 2019
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6QHY
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![BU of 6qhy by Molmil](/molmil-images/mine/6qhy) | Time resolved structural analysis of the full turnover of an enzyme - 100 ms | Descriptor: | Fluoroacetate dehalogenase, fluoroacetic acid | Authors: | Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D. | Deposit date: | 2019-01-17 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.698 Å) | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing. Science, 365, 2019
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