7JGV
| CRYSTAL STRUCTURE OF BCL-XL IN COMPLEX WITH COMPOUND 1620116, CRYSTAL FORM 2 | Descriptor: | 6-[(8E)-8-{2-[4-(benzylcarbamoyl)-1,3-thiazol-2-yl]hydrazinylidene}-5,6,7,8-tetrahydronaphthalen-2-yl]-3-(2-phenylethoxy)pyridine-2-carboxylic acid, Bcl-2-like protein 1 | Authors: | Lee, M, Fairlie, W.D, Smith, B.J, Lee, E.F. | Deposit date: | 2020-07-19 | Release date: | 2021-02-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Optimization of Benzothiazole and Thiazole Hydrazones as Inhibitors of Schistosome BCL-2. Acs Infect Dis., 7, 2021
|
|
7JGW
| Crystal structure of BCL-XL in complex with COMPOUND 1620116, CRYSTAL FORM 1 | Descriptor: | 6-[(8E)-8-{2-[4-(benzylcarbamoyl)-1,3-thiazol-2-yl]hydrazinylidene}-5,6,7,8-tetrahydronaphthalen-2-yl]-3-(2-phenylethoxy)pyridine-2-carboxylic acid, Bcl-2-like protein 1 | Authors: | Lee, M, Fairlie, W.D, Smith, B.J, Lee, E.F. | Deposit date: | 2020-07-19 | Release date: | 2021-02-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Optimization of Benzothiazole and Thiazole Hydrazones as Inhibitors of Schistosome BCL-2. Acs Infect Dis., 7, 2021
|
|
7JMT
| Crystal structure of schistosome BCL-2 bound to ABT-737 | Descriptor: | 4-{4-[(4'-CHLOROBIPHENYL-2-YL)METHYL]PIPERAZIN-1-YL}-N-{[4-({(1R)-3-(DIMETHYLAMINO)-1-[(PHENYLTHIO)METHYL]PROPYL}AMINO)-3-NITROPHENYL]SULFONYL}BENZAMIDE, BCL-2 protein | Authors: | Smith, N.A, Smith, B.J, Lee, E.F, Colman, P.M, Fairlie, W.D. | Deposit date: | 2020-08-02 | Release date: | 2021-02-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Optimization of Benzothiazole and Thiazole Hydrazones as Inhibitors of Schistosome BCL-2. Acs Infect Dis., 7, 2021
|
|
3QBR
| BakBH3 in complex with sjA | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Bcl-2 homologous antagonist/killer, SJCHGC06286 protein | Authors: | Lee, E.F, Clarke, O.B, Fairlie, W.D, Colman, P.M, Evangelista, M, Feng, Z, Speed, T.P, Tchoubrieva, E, Strasser, A, Kalinna, B. | Deposit date: | 2011-01-13 | Release date: | 2011-04-13 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.601 Å) | Cite: | Discovery and molecular characterization of a Bcl-2-regulated cell death pathway in schistosomes. Proc.Natl.Acad.Sci.USA, 108, 2011
|
|
1K0M
| Crystal structure of a soluble monomeric form of CLIC1 at 1.4 angstroms | Descriptor: | CHLORIDE INTRACELLULAR CHANNEL PROTEIN 1 | Authors: | Harrop, S.J, DeMaere, M.Z, Fairlie, W.D, Reztsova, T, Valenzuela, S.M, Mazzanti, M, Tonini, R, Qiu, M.R, Jankova, L, Warton, K, Bauskin, A.R, Wu, W.M, Pankhurst, S, Campbell, T.J, Breit, S.N, Curmi, P.M.G. | Deposit date: | 2001-09-19 | Release date: | 2001-12-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structure of a soluble form of the intracellular chloride ion channel CLIC1 (NCC27) at 1.4-A resolution. J.Biol.Chem., 276, 2001
|
|
1K0N
| Chloride Intracellular Channel 1 (CLIC1) complexed with glutathione | Descriptor: | CHLORIDE INTRACELLULAR CHANNEL PROTEIN 1, GLUTATHIONE | Authors: | Harrop, S.J, DeMaere, M.Z, Fairlie, W.D, Reztsova, T, Valenzuela, S.M, Mazzanti, M, Tonini, R, Qiu, M.R, Jankova, L, Warton, K, Bauskin, A.R, Wu, W.M, Pankhurst, S, Campbell, T.J, Breit, S.N, Curmi, P.M.G. | Deposit date: | 2001-09-19 | Release date: | 2001-12-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of a soluble form of the intracellular chloride ion channel CLIC1 (NCC27) at 1.4-A resolution. J.Biol.Chem., 276, 2001
|
|
1K0O
| Crystal structure of a soluble form of CLIC1. An intracellular chloride ion channel | Descriptor: | CHLORIDE INTRACELLULAR CHANNEL PROTEIN 1 | Authors: | Harrop, S.J, DeMaere, M.Z, Fairlie, W.D, Reztsova, T, Valenzuela, S.M, Mazzanti, M, Tonini, R, Qiu, M.R, Jankova, L, Warton, K, Bauskin, A.R, Wu, W.M, Pankhurst, S, Campbell, T.J, Breit, S.N, Curmi, P.M.G. | Deposit date: | 2001-09-19 | Release date: | 2001-12-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structure of a soluble form of the intracellular chloride ion channel CLIC1 (NCC27) at 1.4-A resolution. J.Biol.Chem., 276, 2001
|
|
3D7V
| Crystal structure of Mcl-1 in complex with an Mcl-1 selective BH3 ligand | Descriptor: | Bcl-2-like protein 11, Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION | Authors: | Lee, E.F, Czabotar, P.E, Colman, P.M, Fairlie, W.D. | Deposit date: | 2008-05-22 | Release date: | 2008-06-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | A novel BH3 ligand that selectively targets Mcl-1 reveals that apoptosis can proceed without Mcl-1 degradation. J.Cell Biol., 180, 2008
|
|
4BPJ
| Mcl-1 bound to alpha beta Puma BH3 peptide 3 | Descriptor: | ALPHA BETA BH3-PEPTIDE, CHLORIDE ION, FUSION PROTEIN CONSISTING OF INDUCED MYELOID LEUKEMIA CELL DIFFERENTIATION PROTEIN MCL-1 HOMOLOG, ... | Authors: | Smith, B.J, Lee, E.F, Checco, J.W, Gellman, S.H, Fairlie, W.D. | Deposit date: | 2013-05-27 | Release date: | 2014-04-09 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.599 Å) | Cite: | Structure-Guided Rational Design of Alpha/Beta-Peptide Foldamers with High Affinity for Bcl-2 Family Prosurvival Proteins. Chembiochem, 14, 2013
|
|
4BPI
| Mcl-1 bound to alpha beta Puma BH3 peptide 2 | Descriptor: | ALPHA BETA BH3PEPTIDE, CADMIUM ION, FUSION PROTEIN CONSISTING OF INDUCED MYELOID LEUKEMIA CELL DIFFERENTIATION PROTEIN MCL-1 HOMOLOG | Authors: | Smith, B.J, Lee, E.F, Checco, J.W, Gellman, S.H, Fairlie, W.D. | Deposit date: | 2013-05-27 | Release date: | 2014-04-09 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.982 Å) | Cite: | Structure-Guided Rational Design of Alpha/Beta-Peptide Foldamers with High Affinity for Bcl-2 Family Prosurvival Proteins. Chembiochem, 14, 2013
|
|
4BPK
| Bcl-xL bound to alpha beta Puma BH3 peptide 5 | Descriptor: | 1,2-ETHANEDIOL, ALPHA BETA BH3-PEPTIDE, BCL-2-LIKE PROTEIN 1, ... | Authors: | Smith, B.J, Lee, E.F, Checco, J.W, Gellman, S.H, Fairlie, W.D. | Deposit date: | 2013-05-27 | Release date: | 2014-04-09 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.756 Å) | Cite: | Structure-Guided Rational Design of Alpha/Beta-Peptide Foldamers with High Affinity for Bcl-2 Family Prosurvival Proteins. Chembiochem, 14, 2013
|
|
4CIM
| Complex of a Bcl-w BH3 mutant with a BH3 domain | Descriptor: | 1,2-ETHANEDIOL, BCL-2-LIKE PROTEIN 2 | Authors: | Colman, P.M, Lee, E.F, Fairlie, W.D. | Deposit date: | 2013-12-12 | Release date: | 2014-11-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The Functional Differences of Pro-Survival and Pro-Apoptotic B Cell Lymphoma 2 (Bcl-2) Proteins Depend on Structural Differences in Their Bcl-2 Homology 3 (Bh3) Domains J.Biol.Chem., 289, 2014
|
|
4CIN
| Complex of Bcl-xL with its BH3 domain | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BCL-2-LIKE PROTEIN 1, ... | Authors: | Colman, P.M, Lee, E.F, Fairlie, W.D. | Deposit date: | 2013-12-12 | Release date: | 2014-11-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.693 Å) | Cite: | The Functional Differences of Pro-Survival and Pro-Apoptotic B Cell Lymphoma 2 (Bcl-2) Proteins Depend on Structural Differences in Their Bcl-2 Homology 3 (Bh3) Domains J.Biol.Chem., 289, 2014
|
|
5VAX
| |
5VAY
| |
5JSB
| Crystal structure of Mcl1-inhibitor complex | Descriptor: | Induced myeloid leukemia cell differentiation protein Mcl-1, Mcl-1 inhibitor | Authors: | Shen, B.W, Stoddard, B.L. | Deposit date: | 2016-05-07 | Release date: | 2016-11-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Computationally designed high specificity inhibitors delineate the roles of BCL2 family proteins in cancer. Elife, 5, 2016
|
|
5JSN
| Bcl2-inhibitor complex | Descriptor: | Apoptosis regulator Bcl-2, Bcl2 inhibitor | Authors: | Shen, B.W, Stoddard, B.L. | Deposit date: | 2016-05-09 | Release date: | 2016-11-16 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Computationally designed high specificity inhibitors delineate the roles of BCL2 family proteins in cancer. Elife, 5, 2016
|
|
8RIV
| T2R-TTL-1-K08 complex | Descriptor: | (4-fluoranyl-2-methyl-1~{H}-indol-5-yl) 3,4,5-trimethoxybenzenesulfonate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Boiarska, Z, Homer, J.A, Steinmetz, M.O, Moses, J.E, Prota, A.E.P. | Deposit date: | 2023-12-19 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Modular synthesis of functional libraries by accelerated SuFEx click chemistry. Chem Sci, 15, 2024
|
|
8RIW
| T2R-TTL-1-L01 complex | Descriptor: | (2-methyl-1~{H}-indol-5-yl) 3,4,5-trimethoxybenzenesulfonate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Prota, A.E.P, Boiarska, Z, Homer, J.A, Steinmetz, M.O, Moses, J.E. | Deposit date: | 2023-12-19 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Modular synthesis of functional libraries by accelerated SuFEx click chemistry. Chem Sci, 15, 2024
|
|
2WBF
| Crystal Structure Analysis of SERA5E from plasmodium falciparum with loop 690-700 ordered | Descriptor: | CALCIUM ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Smith, B.J, Malby, R.L, Colman, P.M, Clarke, O.B. | Deposit date: | 2009-02-27 | Release date: | 2009-03-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural insights into the protease-like antigen Plasmodium falciparum SERA5 and its noncanonical active-site serine. J. Mol. Biol., 392, 2009
|
|
6MCY
| Crystal structure of mouse Bak | Descriptor: | 1,2-ETHANEDIOL, Bcl-2 homologous antagonist/killer, FORMIC ACID | Authors: | Brouwer, J.M, Czabotar, P.E, Colman, P.M. | Deposit date: | 2018-09-03 | Release date: | 2019-09-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.748 Å) | Cite: | A small molecule interacts with VDAC2 to block mouse BAK-driven apoptosis. Nat.Chem.Biol., 15, 2019
|
|
3PL7
| |
3PK1
| Crystal structure of Mcl-1 in complex with the BaxBH3 domain | Descriptor: | Apoptosis regulator BAX, CADMIUM ION, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Czabotar, P.E, Colman, P.M. | Deposit date: | 2010-11-11 | Release date: | 2010-12-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.486 Å) | Cite: | Mutation to Bax beyond the BH3 domain disrupts interactions with pro-survival proteins and promotes apoptosis J.Biol.Chem., 286, 2011
|
|
3QKD
| Crystal structure of Bcl-xL in complex with a Quinazoline sulfonamide inhibitor | Descriptor: | (R)-N-(7-(4-((4'-chlorobiphenyl-2-yl)methyl)piperazin-1-yl)quinazolin-4-yl)-4-(4-(dimethylamino)-1-(phenylthio)butan-2-ylamino)-3-nitrobenzenesulfonamide, Bcl-2-like protein 1, CHLORIDE ION, ... | Authors: | Czabotar, P.E, Smith, B.J. | Deposit date: | 2011-01-31 | Release date: | 2011-04-06 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Quinazoline sulfonamides as dual binders of the proteins B-cell lymphoma 2 and B-cell lymphoma extra long with potent proapoptotic cell-based activity. J.Med.Chem., 54, 2011
|
|
3CH3
| Crystal Structure Analysis of SERA5E from plasmodium falciparum | Descriptor: | DIHYDROGENPHOSPHATE ION, POTASSIUM ION, Serine-repeat antigen protein | Authors: | Smith, B.J, Malby, R.L, Colman, P.M, Clarke, O.B. | Deposit date: | 2008-03-07 | Release date: | 2008-03-25 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Structural Insights into the Protease-like Antigen Plasmodium falciparum SERA5 and Its Noncanonical Active-Site Serine J.Mol.Biol., 392, 2009
|
|