4NVF
 
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4NVD
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4NVC
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4NVI
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4NVA
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4NVL
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4NVH
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7M2E
 | | Crystal structure of BPTF bromodomain in complex with CB02-092 | | Descriptor: | 4-chloro-5-{4-[2-(dimethylamino)ethyl]anilino}-2-methylpyridazin-3(2H)-one, Nucleosome-remodeling factor subunit BPTF | | Authors: | Nithianantham, S, Fischer, M. | | Deposit date: | 2021-03-16 | | Release date: | 2022-02-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition
J.Med.Chem., 64, 2021
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7RN2
 | | Crystal structure of the first bromodomain of human BRD4 in complex with SJ001010551-2 | | Descriptor: | 1,2-ETHANEDIOL, 2-[(6S,10S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-[(pyridin-2-yl)methyl]acetamide, Bromodomain-containing protein 4 | | Authors: | Stachowski, T.R, Fischer, M. | | Deposit date: | 2021-07-28 | | Release date: | 2022-08-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | From PROTAC to inhibitor: Structure-guided discovery of potent and orally bioavailable BET inhibitors.
Eur.J.Med.Chem., 251, 2023
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7RMD
 | | Crystal structure of the first bromodomain of human BRD4 in complex with SJ001011461-1 | | Descriptor: | 1,2-ETHANEDIOL, 2-[(6S,10R)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide, Bromodomain-containing protein 4 | | Authors: | Stachowski, T.R, Fischer, M. | | Deposit date: | 2021-07-27 | | Release date: | 2022-08-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | From PROTAC to inhibitor: Structure-guided discovery of potent and orally bioavailable BET inhibitors.
Eur.J.Med.Chem., 251, 2023
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6WTQ
 | | Human JAK2 JH1 domain in complex with PROTAC-intermediate linker handle 4 | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-methyl-4-{[4-(1-propyl-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino}benzamide, ... | | Authors: | Yu, S, Nithianantham, S, Fischer, M. | | Deposit date: | 2020-05-03 | | Release date: | 2021-05-05 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.79968476 Å) | | Cite: | Degradation of Janus kinases in CRLF2-rearranged acute lymphoblastic leukemia.
Blood, 138, 2021
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6WTN
 | | Human JAK2 JH1 domain in complex with Ruxolitinib | | Descriptor: | (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile, 1,2-ETHANEDIOL, Tyrosine-protein kinase JAK2 | | Authors: | Yu, S, Nithianantham, S, Fischer, M. | | Deposit date: | 2020-05-03 | | Release date: | 2021-05-05 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Degradation of Janus kinases in CRLF2-rearranged acute lymphoblastic leukemia.
Blood, 138, 2021
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6WTP
 | | Human JAK2 JH1 domain in complex with PROTAC-intermediate linker handle 3 | | Descriptor: | GLYCEROL, Tyrosine-protein kinase JAK2, tert-butyl 4-[(4-{1-[3-(cyanomethyl)-1-(ethylsulfonyl)azetidin-3-yl]-1H-pyrazol-4-yl}-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzoate | | Authors: | Yu, S, Nithianantham, S, Fischer, M. | | Deposit date: | 2020-05-03 | | Release date: | 2021-05-05 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Degradation of Janus kinases in CRLF2-rearranged acute lymphoblastic leukemia.
Blood, 138, 2021
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6WTO
 | | Human JAK2 JH1 domain in complex with Baricitinib | | Descriptor: | 1,2-ETHANEDIOL, Baricitinib, Tyrosine-protein kinase JAK2 | | Authors: | Yu, S, Nithianantham, S, Fischer, M. | | Deposit date: | 2020-05-03 | | Release date: | 2021-05-05 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Degradation of Janus kinases in CRLF2-rearranged acute lymphoblastic leukemia.
Blood, 138, 2021
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4UQF
 | | CRYSTAL STRUCTURE OF LISTERIA MONOCYTOGENES GTP CYCLOHYDROLASE I | | Descriptor: | GTP cyclohydrolase 1 | | Authors: | Schuessler, S, Perbandt, M, Fischer, M, Graewert, T. | | Deposit date: | 2014-06-23 | | Release date: | 2015-07-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of GTP cyclohydrolase I from Listeria monocytogenes, a potential anti-infective drug target.
Acta Crystallogr.,Sect.F, 75, 2019
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4W52
 | | T4 Lysozyme L99A with Benzene Bound | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BENZENE, Endolysin | | 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 (1.5001 Å) | | Cite: | Homologous ligands accommodated by discrete conformations of a buried cavity.
Proc.Natl.Acad.Sci.USA, 112, 2015
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4W54
 | | T4 Lysozyme L99A with Ethylbenzene Bound | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endolysin, PHENYLETHANE | | 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 (1.7901 Å) | | Cite: | Homologous ligands accommodated by discrete conformations of a buried cavity.
Proc.Natl.Acad.Sci.USA, 112, 2015
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4W57
 | | T4 Lysozyme L99A with n-Butylbenzene Bound | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endolysin, N-BUTYLBENZENE | | 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 (1.6801 Å) | | Cite: | Homologous ligands accommodated by discrete conformations of a buried cavity.
Proc.Natl.Acad.Sci.USA, 112, 2015
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8F6G
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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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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
 | | 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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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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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
 | | 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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