7L3F
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![BU of 7l3f by Molmil](/molmil-images/mine/7l3f) | T4 Lysozyme L99A - 4-iodotoluene - RT | Descriptor: | 1-iodo-4-methylbenzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | Fischer, M, Bradford, S.Y.C. | Deposit date: | 2020-12-17 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Temperature artifacts in protein structures bias ligand-binding predictions. Chem Sci, 12, 2021
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7L3H
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![BU of 7l3h by Molmil](/molmil-images/mine/7l3h) | T4 Lysozyme L99A - ethylbenzene - RT | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | Authors: | Fischer, M, Bradford, S.Y.C. | Deposit date: | 2020-12-17 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Temperature artifacts in protein structures bias ligand-binding predictions. Chem Sci, 12, 2021
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7L3E
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![BU of 7l3e by Molmil](/molmil-images/mine/7l3e) | T4 Lysozyme L99A - 3-iodotoluene - cryo | Descriptor: | 1-iodo-3-methylbenzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ... | Authors: | Fischer, M, Bradford, S.Y.C. | Deposit date: | 2020-12-17 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Temperature artifacts in protein structures bias ligand-binding predictions. Chem Sci, 12, 2021
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7L3K
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![BU of 7l3k by Molmil](/molmil-images/mine/7l3k) | T4 Lysozyme L99A - benzylacetate - cryo | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | Authors: | Fischer, M, Bradford, S.Y.C. | Deposit date: | 2020-12-17 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.11 Å) | Cite: | Temperature artifacts in protein structures bias ligand-binding predictions. Chem Sci, 12, 2021
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7L3C
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![BU of 7l3c by Molmil](/molmil-images/mine/7l3c) | T4 Lysozyme L99A - o-xylene - RT | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | Authors: | Fischer, M, Bradford, S.Y.C. | Deposit date: | 2020-12-17 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Temperature artifacts in protein structures bias ligand-binding predictions. Chem Sci, 12, 2021
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7L3D
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![BU of 7l3d by Molmil](/molmil-images/mine/7l3d) | T4 Lysozyme L99A - 3-iodotoluene - RT | Descriptor: | 1-iodo-3-methylbenzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ... | Authors: | Fischer, M, Bradford, S.Y.C. | Deposit date: | 2020-12-17 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Temperature artifacts in protein structures bias ligand-binding predictions. Chem Sci, 12, 2021
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7L3I
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![BU of 7l3i by Molmil](/molmil-images/mine/7l3i) | T4 Lysozyme L99A - propylbenzene - RT | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Endolysin, ... | Authors: | Fischer, M, Bradford, S.Y.C. | Deposit date: | 2020-12-17 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Temperature artifacts in protein structures bias ligand-binding predictions. Chem Sci, 12, 2021
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2A58
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![BU of 2a58 by Molmil](/molmil-images/mine/2a58) | Structure of 6,7-Dimethyl-8-ribityllumazine synthase from Schizosaccharomyces pombe mutant W27Y with bound riboflavin | Descriptor: | 6,7-dimethyl-8-ribityllumazine synthase, PHOSPHATE ION, RIBOFLAVIN | Authors: | Koch, M, Breithaupt, C, Gerhardt, S, Haase, I, Weber, S, Cushman, M, Huber, R, Bacher, A, Fischer, M. | Deposit date: | 2005-06-30 | Release date: | 2005-07-19 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis of charge transfer complex formation by riboflavin bound to 6,7-dimethyl-8-ribityllumazine synthase Eur.J.Biochem., 271, 2004
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8G66
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![BU of 8g66 by Molmil](/molmil-images/mine/8g66) | Structure with SJ3149 | Descriptor: | (3S)-3-{5-[(1,2-benzoxazol-3-yl)amino]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}piperidine-2,6-dione, Casein kinase I isoform alpha, DNA damage-binding protein 1, ... | Authors: | Miller, D.J, Young, S.M, Fischer, M. | Deposit date: | 2023-02-14 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.45 Å) | Cite: | Structure of ternary complex with molecular glue targeting CK1A for degradation by the CRL4CRBN ubiquitin ligase To Be Published
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4V7G
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![BU of 4v7g by Molmil](/molmil-images/mine/4v7g) | Crystal Structure of Lumazine Synthase from Bacillus Anthracis | Descriptor: | 6,7-dimethyl-8-ribityllumazine synthase, PHOSPHATE ION | Authors: | Morgunova, E, Illarionov, B, Saller, S, Popov, A, Sambaiah, T, Bacher, A, Cushman, M, Fischer, M, Ladenstein, R. | Deposit date: | 2009-09-16 | Release date: | 2014-07-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structural study and thermodynamic characterization of inhibitor binding to lumazine synthase from Bacillus anthracis. Acta Crystallogr.,Sect.D, 66, 2010
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4W55
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![BU of 4w55 by Molmil](/molmil-images/mine/4w55) | T4 Lysozyme L99A with n-Propylbenzene Bound | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endolysin, propylbenzene | Authors: | Merski, M, Shoichet, B.K, Eidam, O, Fischer, M. | Deposit date: | 2014-08-16 | Release date: | 2015-04-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.6401 Å) | Cite: | Homologous ligands accommodated by discrete conformations of a buried cavity. Proc.Natl.Acad.Sci.USA, 112, 2015
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4W58
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![BU of 4w58 by Molmil](/molmil-images/mine/4w58) | T4 Lysozyme L99A with n-Pentylbenzene Bound | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endolysin, pentylbenzene | Authors: | Merski, M, Shoichet, B.K, Eidam, O, Fischer, M. | Deposit date: | 2014-08-16 | Release date: | 2015-04-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Homologous ligands accommodated by discrete conformations of a buried cavity. Proc.Natl.Acad.Sci.USA, 112, 2015
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3DDY
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![BU of 3ddy by Molmil](/molmil-images/mine/3ddy) | Structure of lumazine protein, an optical transponder of luminescent bacteria | Descriptor: | Lumazine protein, RIBOFLAVIN | Authors: | Chatwell, L, Illarionova, V, Illarionov, B, Skerra, A, Bacher, A, Fischer, M. | Deposit date: | 2008-06-07 | Release date: | 2008-07-01 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of lumazine protein, an optical transponder of luminescent bacteria. J.Mol.Biol., 382, 2008
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7SHH
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![BU of 7shh by Molmil](/molmil-images/mine/7shh) | |
7ULK
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![BU of 7ulk by Molmil](/molmil-images/mine/7ulk) | Human TRAP1 NM in complex with 42C | Descriptor: | CALCIUM ION, Heat shock protein 75 kDa, mitochondrial, ... | Authors: | Stachowski, T.R, Nithianantham, S, Vanarotti, M, Fischer, M. | Deposit date: | 2022-04-05 | Release date: | 2023-04-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Pan-HSP90 ligand binding reveals isoform-specific differences in plasticity and water networks. Protein Sci., 32, 2023
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7ULJ
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![BU of 7ulj by Molmil](/molmil-images/mine/7ulj) | Hsp90b N-terminal domain in complex with 42C | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, Heat shock protein HSP 90-beta, ... | Authors: | Stachowski, T.R, Nithianantham, S, Vanarotti, M, Fischer, M. | Deposit date: | 2022-04-05 | Release date: | 2023-04-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Pan-HSP90 ligand binding reveals isoform-specific differences in plasticity and water networks. Protein Sci., 32, 2023
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7ULL
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![BU of 7ull by Molmil](/molmil-images/mine/7ull) | Human Grp94 N-terminal domain in complex with 42C | Descriptor: | DIMETHYL SULFOXIDE, Endoplasmin, GLYCEROL, ... | Authors: | Stachowski, T.R, Nithianantham, S, Vanarotti, M, Fischer, M. | Deposit date: | 2022-04-05 | Release date: | 2023-04-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Pan-HSP90 ligand binding reveals isoform-specific differences in plasticity and water networks. Protein Sci., 32, 2023
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7S8Z
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![BU of 7s8z by Molmil](/molmil-images/mine/7s8z) | |
7S9G
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![BU of 7s9g by Molmil](/molmil-images/mine/7s9g) | Room-temperature Human Hsp90a-NTD bound to BIIB021 | Descriptor: | 6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine, Heat shock protein HSP 90-alpha, MAGNESIUM ION | Authors: | Stachowski, T.R, Vanarotti, M, Fischer, M. | Deposit date: | 2021-09-21 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Water Networks Repopulate Protein-Ligand Interfaces with Temperature. Angew.Chem.Int.Ed.Engl., 61, 2022
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7S9F
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![BU of 7s9f by Molmil](/molmil-images/mine/7s9f) | Cryogenic Human Hsp90a-NTD bound to BIIB021 | Descriptor: | 6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine, Heat shock protein HSP 90-alpha, MAGNESIUM ION | Authors: | Stachowski, T.R, Vanarotti, M, Seetharaman, J, Fischer, M. | Deposit date: | 2021-09-20 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Water Networks Repopulate Protein-Ligand Interfaces with Temperature. Angew.Chem.Int.Ed.Engl., 61, 2022
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7S95
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![BU of 7s95 by Molmil](/molmil-images/mine/7s95) | Room-temperature Human Hsp90a-NTD bound to adenine | Descriptor: | ADENINE, Heat shock protein HSP 90-alpha | Authors: | Stachowski, T.R, Vanarotti, M, Lopez, K, Fischer, M. | Deposit date: | 2021-09-20 | Release date: | 2022-08-03 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Water Networks Repopulate Protein-Ligand Interfaces with Temperature. Angew.Chem.Int.Ed.Engl., 61, 2022
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7S9I
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![BU of 7s9i by Molmil](/molmil-images/mine/7s9i) | Room-temperature Human Hsp90a-NTD bound to EC144 | Descriptor: | 5-{2-amino-4-chloro-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-methylpent-4-yn-2 -ol, Heat shock protein HSP 90-alpha | Authors: | Stachowski, T.R, Vanarotti, M, Fischer, M. | Deposit date: | 2021-09-21 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Water Networks Repopulate Protein-Ligand Interfaces with Temperature. Angew.Chem.Int.Ed.Engl., 61, 2022
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7S9H
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![BU of 7s9h by Molmil](/molmil-images/mine/7s9h) | Cryogenic Human Hsp90a-NTD bound to EC144 | Descriptor: | 5-{2-amino-4-chloro-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-methylpent-4-yn-2 -ol, Heat shock protein HSP 90-alpha, MAGNESIUM ION | Authors: | Stachowski, T.R, Vanarotti, M, Seetharaman, J, Fischer, M. | Deposit date: | 2021-09-21 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Water Networks Repopulate Protein-Ligand Interfaces with Temperature. Angew.Chem.Int.Ed.Engl., 61, 2022
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7S98
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![BU of 7s98 by Molmil](/molmil-images/mine/7s98) | Cryogenic Human Hsp90a-NTD bound to N6M | Descriptor: | Heat shock protein HSP 90-alpha, N-METHYL-9H-PURIN-6-AMINE | Authors: | Stachowski, T.R, Vanarotti, M, Lopez, K, Fischer, M. | Deposit date: | 2021-09-20 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Water Networks Repopulate Protein-Ligand Interfaces with Temperature. Angew.Chem.Int.Ed.Engl., 61, 2022
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7S8Y
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![BU of 7s8y by Molmil](/molmil-images/mine/7s8y) | |