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7UIH
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BU of 7uih by Molmil
PSMD2 Structure
Descriptor: 26S proteasome non-ATPase regulatory subunit 2, Fab 14 HC CDRs, Fab 14 LC CDRs, ...
Authors:Johnson, M.C, Bashore, C, Ciferri, C, Dueber, E.C.
Deposit date:2022-03-29
Release date:2023-01-11
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Targeted degradation via direct 26S proteasome recruitment.
Nat.Chem.Biol., 19, 2023
7UJD
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BU of 7ujd by Molmil
PSMD2 Structure bound to MC1 and Fab8/14
Descriptor: 26S proteasome non-ATPase regulatory subunit 2, ACY-PHE-PRO-ASP-VAL-SAR-LEU-HIS-ARG-TYR-TRP-GLY-TRP-ASP-CYS-GLY-NH2, Fab 14 HC CDRs, ...
Authors:Johnson, M.C, Bashore, C, Ciferri, C, Dueber, E.C.
Deposit date:2022-03-30
Release date:2023-01-11
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Targeted degradation via direct 26S proteasome recruitment.
Nat.Chem.Biol., 19, 2023
4QVX
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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
2YQ7
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BU of 2yq7 by Molmil
Structure of Bcl-xL bound to BimLOCK
Descriptor: BCL-2-LIKE PROTEIN 1, BCL-2-LIKE PROTEIN 11, GLYCEROL
Authors:Smith, B.J, Czabotar, P.E.
Deposit date:2012-11-06
Release date:2012-11-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Stabilizing the Pro-Apoptotic Bimbh3 Helix (Bimsahb) Does not Necessarily Enhance Affinity or Biological Activity.
Acs Chem.Biol., 8, 2013
2YQ6
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BU of 2yq6 by Molmil
Structure of Bcl-xL bound to BimSAHB
Descriptor: BCL-2-LIKE PROTEIN 1, BIM BETA 5, GLYCEROL
Authors:Smith, B.J, Czabotar, P.E.
Deposit date:2012-11-06
Release date:2012-11-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.799 Å)
Cite:Stabilizing the Pro-Apoptotic Bimbh3 Helix (Bimsahb) Does not Necessarily Enhance Affinity or Biological Activity.
Acs Chem.Biol., 8, 2013
5WBS
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BU of 5wbs by Molmil
Crystal structure of Frizzled-7 CRD with an inhibitor peptide Fz7-21
Descriptor: Frizzled-7,inhibitor peptide Fz7-21
Authors:Nile, A.H, Mukund, S, Hannoush, R.N, Wang, W.
Deposit date:2017-06-29
Release date:2018-04-18
Last modified:2018-05-30
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:A selective peptide inhibitor of Frizzled 7 receptors disrupts intestinal stem cells.
Nat. Chem. Biol., 14, 2018
7L6K
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BU of 7l6k by Molmil
ApoL1 N-terminal domain
Descriptor: Apolipoprotein L1
Authors:Holliday, M.J, Ultsch, M, Moran, P, Fairbrother, W.J, Kirchhofer, D.
Deposit date:2020-12-23
Release date:2021-08-04
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structures of the ApoL1 and ApoL2 N-terminal domains reveal a non-classical four-helix bundle motif.
Commun Biol, 4, 2021
3HL5
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BU of 3hl5 by Molmil
Crystal structure of XIAP BIR3 with CS3
Descriptor: (3S)-1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-3-methyl-N-(2-pyrimidin-2-ylphenyl)-L-prolinamide, Baculoviral IAP repeat-containing protein 4, ZINC ION
Authors:Hymowitz, S.G.
Deposit date:2009-05-26
Release date:2009-06-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Antagonism of c-IAP and XIAP proteins is required for efficient induction of cell death by small-molecule IAP antagonists.
Acs Chem.Biol., 4, 2009
2KLL
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BU of 2kll by Molmil
Solution structure of human interleukin-33
Descriptor: Interleukin-33
Authors:Lingel, A, Fairbrother, W.
Deposit date:2009-07-06
Release date:2009-11-17
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Structure of IL-33 and its interaction with the ST2 and IL-1RAcP receptors--insight into heterotrimeric IL-1 signaling complexes.
Structure, 17, 2009
4LXD
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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
4LVT
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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
4MAN
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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
3ZK6
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BU of 3zk6 by Molmil
Crystal structure of Bcl-xL in complex with inhibitor (Compound 2).
Descriptor: BCL-2-LIKE PROTEIN 1, N-(3-(5-(1-(2-(benzo[d]thiazol-2-yl)hydrazono)ethyl)furan-2-yl)phenylsulfonyl)-6-phenylhexanamide
Authors:Czabotar, P.E, Lessene, G.L, Smith, B.J, Colman, P.M.
Deposit date:2013-01-22
Release date:2013-04-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Structure-Guided Design of a Selective Bcl-Xl Inhibitor
Nat.Chem.Biol., 9, 2013
3ZLO
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BU of 3zlo by Molmil
Crystal structure of BCL-XL in complex with inhibitor (Compound 6)
Descriptor: 2-[(8E)-8-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7-dihydro-5H-naphthalen-2-yl]-5-(4-phenylbutyl)-1,3-thiazole-4-carboxylic acid, BCL-2-LIKE PROTEIN 1
Authors:Czabotar, P.E, Lessene, G.L, Smith, B.J, Colman, P.M.
Deposit date:2013-02-04
Release date:2013-04-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.601 Å)
Cite:Structure-Guided Design of a Selective Bcl-Xl Inhibitor
Nat.Chem.Biol., 9, 2013
3ZLR
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BU of 3zlr by Molmil
Crystal structure of BCL-XL in complex with inhibitor (WEHI-539)
Descriptor: 1,2-ETHANEDIOL, 5-[3-[4-(aminomethyl)phenoxy]propyl]-2-[(8E)-8-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7-dihydro-5H-naphthalen-2-yl]-1,3-thiazole-4-carboxylic acid, BCL-2-LIKE PROTEIN 1, ...
Authors:Czabotar, P.E, Lessene, G.L, Smith, B.J, Colman, P.M.
Deposit date:2013-02-04
Release date:2013-04-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.026 Å)
Cite:Structure-Guided Design of a Selective Bcl-Xl Inhibitor
Nat.Chem.Biol., 9, 2013
3UW5
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BU of 3uw5 by Molmil
Crystal structure of the BIR domain of MLIAP bound to GDC0152
Descriptor: Baculoviral IAP repeat-containing protein 7, Baculoviral IAP repeat-containing protein 4, GDC-0152, ...
Authors:Maurer, B, Hymowitz, S.G.
Deposit date:2011-11-30
Release date:2012-02-22
Last modified:2017-08-02
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Discovery of a Potent Small-Molecule Antagonist of Inhibitor of Apoptosis (IAP) Proteins and Clinical Candidate for the Treatment of Cancer (GDC-0152).
J.Med.Chem., 55, 2012
3ZLN
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BU of 3zln by Molmil
Crystal structure of BCL-XL in complex with inhibitor (Compound 3)
Descriptor: 1,2-ETHANEDIOL, 6-[(8E)-8-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7-dihydro-5H-naphthalen-2-yl]pyridine-2-carboxylic acid, BCL-2-LIKE PROTEIN 1, ...
Authors:Czabotar, P.E, Lessene, G.L, Smith, B.J, Colman, P.M.
Deposit date:2013-02-04
Release date:2013-04-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.288 Å)
Cite:Structure-Guided Design of a Selective Bcl-Xl Inhibitor
Nat.Chem.Biol., 9, 2013
3UW4
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BU of 3uw4 by Molmil
Crystal structure of cIAP1 BIR3 bound to GDC0152
Descriptor: Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 4, GDC0152, ...
Authors:Maurer, B, Hymowitz, S.
Deposit date:2011-11-30
Release date:2012-02-22
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Discovery of a Potent Small-Molecule Antagonist of Inhibitor of Apoptosis (IAP) Proteins and Clinical Candidate for the Treatment of Cancer (GDC-0152).
J.Med.Chem., 55, 2012
2ICC
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BU of 2icc by Molmil
Extracellular Domain of CRIg
Descriptor: V-set and immunoglobulin domain-containing protein 4
Authors:Wiesmann, C.
Deposit date:2006-09-12
Release date:2006-11-07
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structure of C3b in complex with CRIg gives insights into regulation of complement activation.
Nature, 444, 2006
2ICE
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BU of 2ice by Molmil
CRIg bound to C3c
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Complement C3 alpha chain, ...
Authors:Wiesmann, C.
Deposit date:2006-09-12
Release date:2006-11-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of C3b in complex with CRIg gives insights into regulation of complement activation.
Nature, 444, 2006
2ICF
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BU of 2icf by Molmil
CRIg bound to C3b
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Complement C3 alpha chain, ...
Authors:Wiesmann, C.
Deposit date:2006-09-12
Release date:2006-11-07
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (4.1 Å)
Cite:Structure of C3b in complex with CRIg gives insights into regulation of complement activation.
Nature, 444, 2006
3V56
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BU of 3v56 by Molmil
Re-refinement of PDB entry 1OSG - Complex between BAFF and a BR3 derived peptide presented in a beta-hairpin scaffold - reveals an additonal copy of the peptide.
Descriptor: BR3 derived peptive, SULFATE ION, Tumor necrosis factor ligand superfamily member 13B
Authors:Smart, O.S, Womack, T.O, Flensburg, C, Keller, P, Sharff, A, Paciorek, W, Vonrhein, C, Bricogne, G.
Deposit date:2011-12-16
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Exploiting structure similarity in refinement: automated NCS and target-structure restraints in BUSTER.
Acta Crystallogr.,Sect.D, 68, 2012
1QPG
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BU of 1qpg by Molmil
3-PHOSPHOGLYCERATE KINASE, MUTATION R65Q
Descriptor: 3-PHOSPHOGLYCERATE KINASE, 3-PHOSPHOGLYCERIC ACID, MAGNESIUM-5'-ADENYLY-IMIDO-TRIPHOSPHATE
Authors:Mcphillips, T.M, Hsu, B.T, Sherman, M.A, Mas, M.T, Rees, D.C.
Deposit date:1996-01-04
Release date:1996-06-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the R65Q mutant of yeast 3-phosphoglycerate kinase complexed with Mg-AMP-PNP and 3-phospho-D-glycerate.
Biochemistry, 35, 1996
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