6UDY
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![BU of 6udy by Molmil](/molmil-images/mine/6udy) | X-ray co-crystal structure of compound 5 with Mcl-1 | Descriptor: | (3S)-6'-chloro-5-(cyclobutylmethyl)-3',4,4',5-tetrahydro-2H,2'H-spiro[1,5-benzoxazepine-3,1'-naphthalene]-7-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Huang, X. | Deposit date: | 2019-09-19 | Release date: | 2019-12-11 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an alpha-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere. J.Med.Chem., 62, 2019
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6U65
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![BU of 6u65 by Molmil](/molmil-images/mine/6u65) | Mcl-1 bound to compound 19 | Descriptor: | 1,2-ETHANEDIOL, 2-[({4-[(4-fluorophenyl)methyl]piperazin-1-yl}sulfonyl)amino]-5-[(2-phenylethyl)sulfanyl]benzoic acid, ACETATE ION, ... | Authors: | Stuckey, J.A. | Deposit date: | 2019-08-29 | Release date: | 2020-03-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins. J.Med.Chem., 63, 2020
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6U64
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![BU of 6u64 by Molmil](/molmil-images/mine/6u64) | Mcl-1 bound to compound 17 | Descriptor: | 5-[(2-phenylethyl)sulfanyl]-2-{[(4-phenylpiperazin-1-yl)sulfonyl]amino}benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Stuckey, J.A. | Deposit date: | 2019-08-29 | Release date: | 2020-03-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins. J.Med.Chem., 63, 2020
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6U67
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![BU of 6u67 by Molmil](/molmil-images/mine/6u67) | Mcl-1 bound to compound 24 | Descriptor: | 2-({[4-(4-tert-butylphenyl)piperazin-1-yl]sulfonyl}amino)-5-{[3-oxo-3-(phenylamino)propyl]sulfanyl}benzoic acid, BIPHENYL, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Stuckey, J.A. | Deposit date: | 2019-08-29 | Release date: | 2020-03-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins. J.Med.Chem., 63, 2020
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6UDX
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![BU of 6udx by Molmil](/molmil-images/mine/6udx) | X-ray co-crystal structure of compound 7 with Mcl-1 | Descriptor: | (2R)-[(3S)-6'-chloro-5-(cyclobutylmethyl)-3',4,4',5-tetrahydro-2H,2'H-spiro[1,5-benzoxazepine-3,1'-naphthalen]-7-yl](hydroxy)acetic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Huang, X. | Deposit date: | 2019-09-19 | Release date: | 2019-12-11 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an alpha-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere. J.Med.Chem., 62, 2019
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6UDT
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![BU of 6udt by Molmil](/molmil-images/mine/6udt) | X-ray co-crystal structure of compound 10 bound to human Mcl-1 | Descriptor: | (4S,7aR,9aR,10S,11E,18R)-6'-chloro-10,18-dihydroxy-15-methyl-16-oxo-3',4',7,7a,8,9,9a,10,13,14,15,16,17,18-tetradecahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)cyclobuta[n][1,4]oxazepino[4,3-a][1,8]diazacyclohexadecine-4,1'-naphthalene]-18-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Huang, X, Whittington, D. | Deposit date: | 2019-09-19 | Release date: | 2019-12-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an alpha-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere. J.Med.Chem., 62, 2019
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6UDU
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![BU of 6udu by Molmil](/molmil-images/mine/6udu) | X-ray co-crystal structure of compound 8 bound to human Mcl-1 | Descriptor: | (4S,11E,17R)-6'-chloro-17-hydroxy-14-methyl-15-oxo-3',4',8,9,10,13,14,15,16,17-decahydro-2'H,3H,5H,7H-spiro[1,18-(ethanediylidene)[1,4]oxazepino[4,3-a][1,8]diazacyclopentadecine-4,1'-naphthalene]-17-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Huang, X, Whittington, D. | Deposit date: | 2019-09-19 | Release date: | 2019-12-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an alpha-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere. J.Med.Chem., 62, 2019
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6UDV
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![BU of 6udv by Molmil](/molmil-images/mine/6udv) | X-ray co-crystal structure of compound 3 bound to human Mcl-1 | Descriptor: | (4S,7aR,9aR,10S,11E,14S,15R)-6'-chloro-10-hydroxy-14,15-dimethyl-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7H,17H)-trione, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Huang, X, Whittington, D. | Deposit date: | 2019-09-19 | Release date: | 2019-12-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an alpha-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere. J.Med.Chem., 62, 2019
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6STJ
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![BU of 6stj by Molmil](/molmil-images/mine/6stj) | Selective Affimers Recognize BCL-2 Family Proteins Through Non-Canonical Structural Motifs | Descriptor: | Cystatin domain-containing protein, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Hobor, F, Miles, J.A, Trinh, C.H, Taylor, J, Tiede, C, Rowell, P.R, Jackson, B, Nadat, F, Kyle, H.F, Wicky, B.I.M, Clarke, J, Tomlinson, D.C, Wilson, A.J, Edwards, T.A. | Deposit date: | 2019-09-10 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Selective Affimers Recognise the BCL-2 Family Proteins BCL-x L and MCL-1 through Noncanonical Structural Motifs*. Chembiochem, 22, 2021
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6UXO
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![BU of 6uxo by Molmil](/molmil-images/mine/6uxo) | Crystal structure of BAK core domain BH3-groove-dimer in complex with DDM | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Bcl-2 homologous antagonist/killer, ... | Authors: | Cowan, A.D, Colman, P.M, Czabotar, P.E. | Deposit date: | 2019-11-07 | Release date: | 2020-09-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.799 Å) | Cite: | BAK core dimers bind lipids and can be bridged by them. Nat.Struct.Mol.Biol., 27, 2020
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6UXN
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![BU of 6uxn by Molmil](/molmil-images/mine/6uxn) | Crystal structure of BAK core domain BH3-groove-dimer in complex with phosphatidylserine | Descriptor: | Bcl-2 homologous antagonist/killer, GLYCEROL, O-[(R)-{[(2R)-2,3-bis(octanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine, ... | Authors: | Cowan, A.D, Colman, P.M, Czabotar, P.E. | Deposit date: | 2019-11-07 | Release date: | 2020-09-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | BAK core dimers bind lipids and can be bridged by them. Nat.Struct.Mol.Biol., 27, 2020
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6UXQ
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![BU of 6uxq by Molmil](/molmil-images/mine/6uxq) | Crystal structure of BAK core domain BH3-groove-dimer in complex with POPC and C8E4 | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 1,2-ETHANEDIOL, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, ... | Authors: | Cowan, A.D, Colman, P.M, Czabotar, P.E. | Deposit date: | 2019-11-07 | Release date: | 2020-09-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.696 Å) | Cite: | BAK core dimers bind lipids and can be bridged by them. Nat.Struct.Mol.Biol., 27, 2020
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6UXP
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![BU of 6uxp by Molmil](/molmil-images/mine/6uxp) | Crystal structure of BAK core domain BH3-groove-dimer in complex with phosphatidylglycerol | Descriptor: | 1,2-DIOCTANOYL-SN-GLYCERO-3-[PHOSPHO-RAC-(1-GLYCEROL), Bcl-2 homologous antagonist/killer, GLYCEROL | Authors: | Cowan, A.D, Colman, P.M, Czabotar, P.E. | Deposit date: | 2019-11-07 | Release date: | 2020-09-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.492 Å) | Cite: | BAK core dimers bind lipids and can be bridged by them. Nat.Struct.Mol.Biol., 27, 2020
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6UXR
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![BU of 6uxr by Molmil](/molmil-images/mine/6uxr) | Crystal structure of BAK core domain BH3-groove-dimer in complex with LysoPC | Descriptor: | Bcl-2 homologous antagonist/killer, TETRAETHYLENE GLYCOL, TRIETHYLENE GLYCOL, ... | Authors: | Cowan, A.D, Colman, P.M, Czabotar, P.E. | Deposit date: | 2019-11-07 | Release date: | 2020-09-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | BAK core dimers bind lipids and can be bridged by them. Nat.Struct.Mol.Biol., 27, 2020
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6UXM
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![BU of 6uxm by Molmil](/molmil-images/mine/6uxm) | |
6V4M
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![BU of 6v4m by Molmil](/molmil-images/mine/6v4m) | Trichuris suis BCL-2 | Descriptor: | BCL-2, CHLORIDE ION, SULFATE ION | Authors: | Fairlie, W.D, Lee, E.F, Smith, B.J. | Deposit date: | 2019-11-28 | Release date: | 2020-10-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.599 Å) | Cite: | Diversity in the intrinsic apoptosis pathway of nematodes. Commun Biol, 3, 2020
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5TWA
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![BU of 5twa by Molmil](/molmil-images/mine/5twa) | Crystal structure of Geodia cydonium BHP2 in complex with Lubomirskia baicalensis Bak-2 | Descriptor: | 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAK-2 protein, ... | Authors: | Caria, S, Hinds, M.G, Kvansakul, M. | Deposit date: | 2016-11-12 | Release date: | 2017-01-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural insight into an evolutionarily ancient programmed cell death regulator - the crystal structure of marine sponge BHP2 bound to LB-Bak-2. Cell Death Dis, 8, 2017
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5UA4
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![BU of 5ua4 by Molmil](/molmil-images/mine/5ua4) | |
5UA5
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![BU of 5ua5 by Molmil](/molmil-images/mine/5ua5) | |
5UUK
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![BU of 5uuk by Molmil](/molmil-images/mine/5uuk) | |
5UUM
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![BU of 5uum by Molmil](/molmil-images/mine/5uum) | Human Mcl-1 in complex with a Bfl-1-specific selected peptide | Descriptor: | Bfl-1 specific peptide FS2, Induced myeloid leukemia cell differentiation protein Mcl-1, SULFATE ION, ... | Authors: | Jenson, J.M, Grant, R.A, Keating, A.E. | Deposit date: | 2017-02-17 | Release date: | 2017-06-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.346 Å) | Cite: | Epistatic mutations in PUMA BH3 drive an alternate binding mode to potently and selectively inhibit anti-apoptotic Bfl-1. Elife, 6, 2017
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5VX1
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![BU of 5vx1 by Molmil](/molmil-images/mine/5vx1) | Bak L100A | Descriptor: | Bcl-2 homologous antagonist/killer | Authors: | Brouwer, J.M, Colman, P.M, Czabotar, P.E. | Deposit date: | 2017-05-23 | Release date: | 2017-11-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.224 Å) | Cite: | Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design. Mol. Cell, 68, 2017
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5W62
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![BU of 5w62 by Molmil](/molmil-images/mine/5w62) | Crystal structure of mouse BAX monomer | Descriptor: | Apoptosis regulator BAX, SULFATE ION | Authors: | Robin, A.Y, Colman, P.M, Czabotar, P.E, Luo, C.S. | Deposit date: | 2017-06-16 | Release date: | 2018-06-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.196 Å) | Cite: | Ensemble Properties of Bax Determine Its Function. Structure, 26, 2018
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5W5X
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![BU of 5w5x by Molmil](/molmil-images/mine/5w5x) | Crystal structure of BAXP168G in complex with an activating antibody | Descriptor: | 1,2-ETHANEDIOL, 3C10 Fab' heavy chain, 3C10 Fab' light chain, ... | Authors: | Robin, A.Y, Colman, P.M, Czabotar, P.E. | Deposit date: | 2017-06-16 | Release date: | 2018-06-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.502 Å) | Cite: | Ensemble Properties of Bax Determine Its Function. Structure, 26, 2018
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5VMN
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![BU of 5vmn by Molmil](/molmil-images/mine/5vmn) | Crystal structure of grouper iridovirus GIV66 | Descriptor: | 1,2-ETHANEDIOL, Bak protein, NITRATE ION | Authors: | Banjara, S, Kvansakul, M. | Deposit date: | 2017-04-27 | Release date: | 2018-03-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Grouper iridovirus GIV66 is a Bcl-2 protein that inhibits apoptosis by exclusively sequestering Bim. J. Biol. Chem., 293, 2018
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