Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
Search by PDB author
5VKC
DownloadVisualize
BU of 5vkc by Molmil
Crystal structure of MCL-1 in complex with a BIM competitive inhibitor
Descriptor: 7-(3-{[4-(4-acetylpiperazin-1-yl)phenoxy]methyl}-1,5-dimethyl-1H-pyrazol-4-yl)-3-{3-[(naphthalen-1-yl)oxy]propyl}-1-[(pyridin-3-yl)methyl]-1H-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION
Authors:Judge, R.A, Souers, A.J.
Deposit date:2017-04-21
Release date:2017-05-03
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Structure-guided design of a series of MCL-1 inhibitors with high affinity and selectivity.
J. Med. Chem., 58, 2015
6B4U
DownloadVisualize
BU of 6b4u by Molmil
Crystal structure of MCL-1 in complex with a BIM competitive inhibitor
Descriptor: 7-(2-methylphenyl)-1-[2-(morpholin-4-yl)ethyl]-3-{3-[(naphthalen-1-yl)oxy]propyl}-1H-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Judge, R.A, Souers, A.J.
Deposit date:2017-09-27
Release date:2017-10-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-guided design of a series of MCL-1 inhibitors with high affinity and selectivity.
J. Med. Chem., 58, 2015
6B4L
DownloadVisualize
BU of 6b4l by Molmil
Crystal structure of MCL-1 in complex with a BIM competitive inhibitor
Descriptor: 3-{3-[(naphthalen-1-yl)oxy]propyl}-1H-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Judge, R.A, Souers, A.J.
Deposit date:2017-09-26
Release date:2017-10-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure-guided design of a series of MCL-1 inhibitors with high affinity and selectivity.
J. Med. Chem., 58, 2015
8EL0
DownloadVisualize
BU of 8el0 by Molmil
Structure of MBP-Mcl-1 in complex with a macrocyclic compound
Descriptor: (7R,20P)-18-chloro-1-(4-fluorophenyl)-10-{[(2M)-2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy}-19-methyl-15-[2-(4-methylpiperazin-1-yl)ethyl]-7,8,15,16-tetrahydro-14H-17,20-etheno-9,13-(metheno)-6-oxa-2-thia-3,5,15-triazacyclooctadeca[1,2,3-cd]indene-7-carboxylic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Judge, R.A, Judd, A.S, Souers, A.J.
Deposit date:2022-09-22
Release date:2023-10-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.917 Å)
Cite:Selective MCL-1 inhibitor ABBV-467 is efficacious in tumor models but is associated with cardiac troponin increases in patients.
Commun Med (Lond), 3, 2023
8EL1
DownloadVisualize
BU of 8el1 by Molmil
Structure of MBP-Mcl-1 in complex with ABBV-467
Descriptor: (7R,16R)-19,23-dichloro-10-{[2-(4-{[(2R)-1,4-dioxan-2-yl]methoxy}phenyl)pyrimidin-4-yl]methoxy}-1-(4-fluorophenyl)-20,22-dimethyl-16-[(4-methylpiperazin-1-yl)methyl]-7,8,15,16-tetrahydro-18,21-etheno-13,9-(metheno)-6,14,17-trioxa-2-thia-3,5-diazacyclononadeca[1,2,3-cd]indene-7-carboxylic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Judge, R.A, Judd, A.S, Souers, A.J.
Deposit date:2022-09-22
Release date:2023-10-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.406 Å)
Cite:Selective MCL-1 inhibitor ABBV-467 is efficacious in tumor models but is associated with cardiac troponin increases in patients.
Commun Med (Lond), 3, 2023
8EKX
DownloadVisualize
BU of 8ekx by Molmil
Structure of MBP-Mcl-1 in complex with MIK665
Descriptor: (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Judge, R.A, Judd, A.S, Souers, A.J.
Deposit date:2022-09-22
Release date:2023-11-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Selective MCL-1 inhibitor ABBV-467 is efficacious in tumor models but is associated with cardiac troponin increases in patients.
Commun Med (Lond), 3, 2023
4OQ6
DownloadVisualize
BU of 4oq6 by Molmil
Crystal Structure of Human MCL-1 Bound to Inhibitor 4-hydroxy-4'-propylbiphenyl-3-carboxylic acid
Descriptor: 4-hydroxy-4'-propylbiphenyl-3-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Petros, A.M, Swann, S.L, Song, D, Swinger, K, Park, C, Zhang, H, Wendt, M.D, Kunzer, A.R, Souers, A.J, Sun, C.
Deposit date:2014-02-07
Release date:2014-03-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Fragment-based discovery of potent inhibitors of the anti-apoptotic MCL-1 protein.
Bioorg.Med.Chem.Lett., 24, 2014
4OQ5
DownloadVisualize
BU of 4oq5 by Molmil
Crystal Structure of Human MCL-1 Bound to Inhibitor 4-(4-methylnaphthalen-1-yl)-2-{[(4-phenoxyphenyl)sulfonyl]amino}benzoic acid
Descriptor: 4-(4-methylnaphthalen-1-yl)-2-{[(4-phenoxyphenyl)sulfonyl]amino}benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Petros, A.M, Swann, S.L, Song, D, Swinger, K, Park, C, Zhang, H, Wendt, M.D, Kunzer, A.R, Souers, A.J, Sun, C.
Deposit date:2014-02-07
Release date:2014-03-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Fragment-based discovery of potent inhibitors of the anti-apoptotic MCL-1 protein.
Bioorg.Med.Chem.Lett., 24, 2014
4LXD
DownloadVisualize
BU of 4lxd by Molmil
Bcl_2-Navitoclax Analog (without Thiophenyl) Complex
Descriptor: 4-(4-{[4-(4-chlorophenyl)-5,6-dihydro-2H-pyran-3-yl]methyl}piperazin-1-yl)-N-{[3-nitro-4-(tetrahydro-2H-pyran-4-ylamino)phenyl]sulfonyl}benzamide, Apoptosis regulator Bcl-2
Authors:Park, C.H.
Deposit date:2013-07-29
Release date:2013-08-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:ABT-199, a potent and selective BCL-2 inhibitor, achieves antitumor activity while sparing platelets.
NAT.MED. (N.Y.), 19, 2013
4MAN
DownloadVisualize
BU of 4man by Molmil
Bcl_2-Navitoclax Analog (with Indole) Complex
Descriptor: 4-[4-({4'-chloro-3-[2-(dimethylamino)ethoxy]biphenyl-2-yl}methyl)piperazin-1-yl]-2-(1H-indol-5-yloxy)-N-({3-nitro-4-[(tetrahydro-2H-pyran-4-ylmethyl)amino]phenyl}sulfonyl)benzamide, Apoptosis regulator Bcl-2
Authors:Park, C.H.
Deposit date:2013-08-16
Release date:2014-01-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:ABT-199, a potent and selective BCL-2 inhibitor, achieves antitumor activity while sparing platelets.
NAT.MED. (N.Y.), 19, 2013
4LVT
DownloadVisualize
BU of 4lvt by Molmil
Bcl_2-Navitoclax (ABT-263) Complex
Descriptor: 4-(4-{[2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-[(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]benzamide, Apoptosis regulator Bcl-2
Authors:Park, C.H.
Deposit date:2013-07-26
Release date:2013-08-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:ABT-199, a potent and selective BCL-2 inhibitor, achieves antitumor activity while sparing platelets.
NAT.MED. (N.Y.), 19, 2013
6VWC
DownloadVisualize
BU of 6vwc by Molmil
Crystal structure of Bcl-xL in complex with tetrahydroisoquinoline-pyridine based inhibitors
Descriptor: 6-{8-[(1,3-benzothiazol-2-yl)carbamoyl]-3,4-dihydroisoquinolin-2(1H)-yl}-3-{1-[(pyridin-4-yl)methyl]-1H-pyrazol-4-yl}pyridine-2-carboxylic acid, Bcl-2-like protein 1
Authors:Judge, R.A, Judd, A.S.
Deposit date:2020-02-19
Release date:2020-10-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.604 Å)
Cite:Discovery of A-1331852, a First-in-Class, Potent, and Orally-Bioavailable BCL-X L Inhibitor.
Acs Med.Chem.Lett., 11, 2020
4QVX
DownloadVisualize
BU of 4qvx by Molmil
Discovery of a Potent and Selective BCL-XL Inhibitor That Demonstrates Thrombocytopenia and Inhibits Tumor Growth in Vivo
Descriptor: 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl]-5-(3-{4-[3-(dimethylamino)prop-1-yn-1-yl]-2-fluorophenoxy}propyl)-1,3-thiazole-4-carboxylic acid, Bcl-2-like protein 1
Authors:Park, C.H.
Deposit date:2014-07-16
Release date:2015-07-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of a Potent and Selective BCL-XL Inhibitor with in Vivo Activity.
ACS MED.CHEM.LETT., 5, 2014
4TUH
DownloadVisualize
BU of 4tuh by Molmil
Bcl-xL in complex with inhibitor (Compound 10)
Descriptor: 1,2-ETHANEDIOL, 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl]-5-{3-[4-(1H-pyrazolo[3,4-d]pyrimidin-1-yl)phenoxy]propyl}-1,3-thiazole-4-carboxylic acid, ACETATE ION, ...
Authors:Czabotar, P.E, Lessense, G, Smith, B.J, Colman, P.M.
Deposit date:2014-06-24
Release date:2014-10-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Guided Rescaffolding of Selective Antagonists of BCL-XL.
Acs Med.Chem.Lett., 5, 2014
3QKD
DownloadVisualize
BU of 3qkd by Molmil
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
7LHB
DownloadVisualize
BU of 7lhb by Molmil
Crystal structure of Bcl-2 in complex with prodrug ABBV-167
Descriptor: Apoptosis regulator Bcl-2, Phosphoric acid mono-[5-(5-{4-[2-(4-chloro-phenyl)-4,4-dimethyl-cyclohex-1-enylmethyl]-piperazin-1-yl}-2-{3-nitro-4-[(tetrahydro-pyran-4-ylmethyl)-amino]-benzenesulfonylaminocarbonyl}-phenoxy)-pyrrolo[2,3-b]pyridin-7-ylmethyl] ester
Authors:Judge, R.A, Salem, A.H.
Deposit date:2021-01-21
Release date:2021-04-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.068 Å)
Cite:Expanding the Repertoire for "Large Small Molecules": Prodrug ABBV-167 Efficiently Converts to Venetoclax with Reduced Food Effect in Healthy Volunteers.
Mol.Cancer Ther., 20, 2021
7LH7
DownloadVisualize
BU of 7lh7 by Molmil
Crystal structure of BCL-XL in complex with a benzothiazole-based inhibitor
Descriptor: Bcl-2-like protein 1, N-(1,3-benzothiazol-2-yl)-2-(4-{[(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]carbamoyl}-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
Authors:Judge, R.A, Tao, Z.
Deposit date:2021-01-21
Release date:2021-06-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.409 Å)
Cite:Structure-Based Design of A-1293102, a Potent and Selective BCL-XL Inhibitor
ACS Medicinal Chemistry Letters, 12, 2021
7M2F
DownloadVisualize
BU of 7m2f by Molmil
CDK2 with compound 14 inhibitor with carboxylate
Descriptor: Cyclin-dependent kinase 2, [(1r,4r)-4-{4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydropyridin-1(2H)-yl}cyclohexyl]acetic acid
Authors:Longenecker, K.L, Qiu, W, Korepanova, A, Tong, Y.
Deposit date:2021-03-16
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.632 Å)
Cite:Balancing Properties with Carboxylates: A Lead Optimization Campaign for Selective and Orally Active CDK9 Inhibitors.
Acs Med.Chem.Lett., 12, 2021

217705

PDB entries from 2024-03-27

PDB statisticsPDBj update infoContact PDBjnumon