1A3L
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5DR8
| Endothiapepsin in complex with fragment 330 | Descriptor: | 2-chlorobenzohydrazide, ACETATE ION, Endothiapepsin, ... | Authors: | Heine, A, Knoerlein, A, Schiebel, J, Klebe, G. | Deposit date: | 2015-09-15 | Release date: | 2016-09-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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1JCJ
| OBSERVATION OF COVALENT INTERMEDIATES IN AN ENZYME MECHANISM AT ATOMIC RESOLUTION | Descriptor: | 1-HYDROXY-PENTANE-3,4-DIOL-5-PHOSPHATE, DEOXYRIBOSE-PHOSPHATE ALDOLASE | Authors: | Heine, A, DeSantis, G, Luz, J.G, Mitchell, M, Wong, C.-H, Wilson, I.A. | Deposit date: | 2001-06-09 | Release date: | 2001-10-31 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Observation of covalent intermediates in an enzyme mechanism at atomic resolution. Science, 294, 2001
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1JCL
| OBSERVATION OF COVALENT INTERMEDIATES IN AN ENZYME MECHANISM AT ATOMIC RESOLUTION | Descriptor: | 1-HYDROXY-PENTANE-3,4-DIOL-5-PHOSPHATE, DEOXYRIBOSE-PHOSPHATE ALDOLASE | Authors: | Heine, A, DeSantis, G, Luz, J.G, Mitchell, M, Wong, C.-H, Wilson, I.A. | Deposit date: | 2001-06-09 | Release date: | 2001-10-31 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Observation of covalent intermediates in an enzyme mechanism at atomic resolution. Science, 294, 2001
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1MEX
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5DR7
| Endothiapepsin in complex with fragment 311 | Descriptor: | (2R)-3-cyclopropyl-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one, ACETATE ION, Endothiapepsin, ... | Authors: | Heine, A, Schiebel, J, Klebe, G. | Deposit date: | 2015-09-15 | Release date: | 2016-09-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.234 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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1P1X
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4MZQ
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4MTU
| beta-Alanyl-CoA:Ammonia Lyase from Clostridium propionicum | Descriptor: | Beta-alanyl-CoA:ammonia lyase 2, SULFATE ION, ZINC ION | Authors: | Heine, A, Reuter, K. | Deposit date: | 2013-09-20 | Release date: | 2014-03-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | High resolution crystal structure of Clostridium propionicum beta-alanyl-CoA:ammonia lyase, a new member of the "hot dog fold" protein superfamily. Proteins, 82, 2014
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1AXT
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1D5T
| GUANINE NUCLEOTIDE DISSOCIATION INHIBITOR, ALPHA-ISOFORM | Descriptor: | GUANINE NUCLEOTIDE DISSOCIATION INHIBITOR, SULFATE ION | Authors: | Peng, L, Zeng, K, Heine, A, Moyer, B, Greasley, S.E, Kuhn, P, Balch, W.E, Wilson, I.A. | Deposit date: | 1999-10-11 | Release date: | 2000-10-25 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | A new functional domain of guanine nucleotide dissociation inhibitor (alpha-GDI) involved in Rab recycling. Traffic, 1, 2000
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8QH6
| Crystal structure of IpgC in complex with a follow-up compound based on J20 | Descriptor: | 3-azanyl-6-chloranyl-isoindol-1-one, CHLORIDE ION, Chaperone protein IpgC, ... | Authors: | Wallbaum, J.E, Heine, A, Reuter, K. | Deposit date: | 2023-09-06 | Release date: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystallographic Fragment Screening on the Shigella Type III Secretion System Chaperone IpgC. Acs Omega, 8, 2023
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5SW3
| Crystal Structure of TGT in complex with 3-Pyridinecarboxylic acid, 6-(dimethylamino) | Descriptor: | 6-(dimethylamino)pyridine-3-carboxylic acid, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Hassaan, E, Heine, A, Klebe, G. | Deposit date: | 2016-08-08 | Release date: | 2017-07-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Fragments as Novel Starting Points for tRNA-Guanine Transglycosylase Inhibitors Found by Alternative Screening Strategies. Chemmedchem, 15, 2020
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5UTJ
| Crystal Structure of TGT in complex with 2,6-dioxy-8-azapurine, 2,6-dioxy-8-azapurine, 2,6-dioxy-8-azapurine | Descriptor: | 8-AZAXANTHINE, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Hassaan, E, Heine, A, Klebe, G. | Deposit date: | 2017-02-15 | Release date: | 2018-03-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.549 Å) | Cite: | Fragments as Novel Starting Points for tRNA-Guanine Transglycosylase Inhibitors Found by Alternative Screening Strategies. Chemmedchem, 15, 2020
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5V3C
| Crystal structure of TGT in complex with 4-(aminomethane)cyclohexane-1-carboxylic acid | Descriptor: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Queuine tRNA-ribosyltransferase, ... | Authors: | Hassaan, E, Heine, A, Klebe, G. | Deposit date: | 2017-03-07 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.419 Å) | Cite: | Fragments as Novel Starting Points for tRNA-Guanine Transglycosylase Inhibitors Found by Alternative Screening Strategies. Chemmedchem, 15, 2020
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5UTI
| Crystal Structure of TGT in complex with fragment in preQ1 pocket | Descriptor: | DIMETHYL SULFOXIDE, L-CANAVANINE, Queuine tRNA-ribosyltransferase, ... | Authors: | Hassaan, E, Heine, A, Klebe, G. | Deposit date: | 2017-02-15 | Release date: | 2018-03-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Fragments as Novel Starting Points for tRNA-Guanine Transglycosylase Inhibitors Found by Alternative Screening Strategies. Chemmedchem, 15, 2020
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8R10
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8R18
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8R1T
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8R1N
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8R1P
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7APM
| tRNA-guanine transglycosylase H319C mutant spin-labeled with MTSL. | Descriptor: | CHLORIDE ION, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | Authors: | Nguyen, D, Heine, A, Klebe, G. | Deposit date: | 2020-10-18 | Release date: | 2020-10-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Unraveling a Ligand-Induced Twist of a Homodimeric Enzyme by Pulsed Electron-Electron Double Resonance. Angew.Chem.Int.Ed.Engl., 60, 2021
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7APL
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8BJL
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8CNF
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