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2YQ6
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BU of 2yq6 by Molmil
Structure of Bcl-xL bound to BimSAHB
分子名称: BCL-2-LIKE PROTEIN 1, BIM BETA 5, GLYCEROL
著者Smith, B.J, Czabotar, P.E.
登録日2012-11-06
公開日2012-11-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.799 Å)
主引用文献Stabilizing the Pro-Apoptotic Bimbh3 Helix (Bimsahb) Does not Necessarily Enhance Affinity or Biological Activity.
Acs Chem.Biol., 8, 2013
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
分子名称: 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
著者Park, C.H.
登録日2014-07-16
公開日2015-07-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of a Potent and Selective BCL-XL Inhibitor with in Vivo Activity.
ACS MED.CHEM.LETT., 5, 2014
7UIH
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BU of 7uih by Molmil
PSMD2 Structure
分子名称: 26S proteasome non-ATPase regulatory subunit 2, Fab 14 HC CDRs, Fab 14 LC CDRs, ...
著者Johnson, M.C, Bashore, C, Ciferri, C, Dueber, E.C.
登録日2022-03-29
公開日2023-01-11
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献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
分子名称: 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, ...
著者Johnson, M.C, Bashore, C, Ciferri, C, Dueber, E.C.
登録日2022-03-30
公開日2023-01-11
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Targeted degradation via direct 26S proteasome recruitment.
Nat.Chem.Biol., 19, 2023
7L6K
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BU of 7l6k by Molmil
ApoL1 N-terminal domain
分子名称: Apolipoprotein L1
著者Holliday, M.J, Ultsch, M, Moran, P, Fairbrother, W.J, Kirchhofer, D.
登録日2020-12-23
公開日2021-08-04
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structures of the ApoL1 and ApoL2 N-terminal domains reveal a non-classical four-helix bundle motif.
Commun Biol, 4, 2021
3UW5
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BU of 3uw5 by Molmil
Crystal structure of the BIR domain of MLIAP bound to GDC0152
分子名称: Baculoviral IAP repeat-containing protein 7, Baculoviral IAP repeat-containing protein 4, GDC-0152, ...
著者Maurer, B, Hymowitz, S.G.
登録日2011-11-30
公開日2012-02-22
最終更新日2017-08-02
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献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
3ZLR
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BU of 3zlr by Molmil
Crystal structure of BCL-XL in complex with inhibitor (WEHI-539)
分子名称: 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, ...
著者Czabotar, P.E, Lessene, G.L, Smith, B.J, Colman, P.M.
登録日2013-02-04
公開日2013-04-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.026 Å)
主引用文献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)
分子名称: 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
著者Czabotar, P.E, Lessene, G.L, Smith, B.J, Colman, P.M.
登録日2013-02-04
公開日2013-04-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.601 Å)
主引用文献Structure-Guided Design of a Selective Bcl-Xl Inhibitor
Nat.Chem.Biol., 9, 2013
3ZK6
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BU of 3zk6 by Molmil
Crystal structure of Bcl-xL in complex with inhibitor (Compound 2).
分子名称: BCL-2-LIKE PROTEIN 1, N-(3-(5-(1-(2-(benzo[d]thiazol-2-yl)hydrazono)ethyl)furan-2-yl)phenylsulfonyl)-6-phenylhexanamide
著者Czabotar, P.E, Lessene, G.L, Smith, B.J, Colman, P.M.
登録日2013-01-22
公開日2013-04-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Structure-Guided Design of a Selective Bcl-Xl Inhibitor
Nat.Chem.Biol., 9, 2013
3ZLN
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BU of 3zln by Molmil
Crystal structure of BCL-XL in complex with inhibitor (Compound 3)
分子名称: 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, ...
著者Czabotar, P.E, Lessene, G.L, Smith, B.J, Colman, P.M.
登録日2013-02-04
公開日2013-04-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.288 Å)
主引用文献Structure-Guided Design of a Selective Bcl-Xl Inhibitor
Nat.Chem.Biol., 9, 2013
3HL5
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BU of 3hl5 by Molmil
Crystal structure of XIAP BIR3 with CS3
分子名称: (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
著者Hymowitz, S.G.
登録日2009-05-26
公開日2009-06-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
2ICE
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BU of 2ice by Molmil
CRIg bound to C3c
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Complement C3 alpha chain, ...
著者Wiesmann, C.
登録日2006-09-12
公開日2006-11-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure of C3b in complex with CRIg gives insights into regulation of complement activation.
Nature, 444, 2006
2ICC
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BU of 2icc by Molmil
Extracellular Domain of CRIg
分子名称: V-set and immunoglobulin domain-containing protein 4
著者Wiesmann, C.
登録日2006-09-12
公開日2006-11-07
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structure of C3b in complex with CRIg gives insights into regulation of complement activation.
Nature, 444, 2006
3UW4
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BU of 3uw4 by Molmil
Crystal structure of cIAP1 BIR3 bound to GDC0152
分子名称: Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 4, GDC0152, ...
著者Maurer, B, Hymowitz, S.
登録日2011-11-30
公開日2012-02-22
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献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
2ICF
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BU of 2icf by Molmil
CRIg bound to C3b
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Complement C3 alpha chain, ...
著者Wiesmann, C.
登録日2006-09-12
公開日2006-11-07
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (4.1 Å)
主引用文献Structure of C3b in complex with CRIg gives insights into regulation of complement activation.
Nature, 444, 2006
5WBS
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BU of 5wbs by Molmil
Crystal structure of Frizzled-7 CRD with an inhibitor peptide Fz7-21
分子名称: Frizzled-7,inhibitor peptide Fz7-21
著者Nile, A.H, Mukund, S, Hannoush, R.N, Wang, W.
登録日2017-06-29
公開日2018-04-18
最終更新日2018-05-30
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献A selective peptide inhibitor of Frizzled 7 receptors disrupts intestinal stem cells.
Nat. Chem. Biol., 14, 2018
4LXD
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BU of 4lxd by Molmil
Bcl_2-Navitoclax Analog (without Thiophenyl) Complex
分子名称: 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
著者Park, C.H.
登録日2013-07-29
公開日2013-08-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
分子名称: 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
著者Park, C.H.
登録日2013-08-16
公開日2014-01-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献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
分子名称: 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
著者Park, C.H.
登録日2013-07-26
公開日2013-08-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献ABT-199, a potent and selective BCL-2 inhibitor, achieves antitumor activity while sparing platelets.
NAT.MED. (N.Y.), 19, 2013
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.
分子名称: BR3 derived peptive, SULFATE ION, Tumor necrosis factor ligand superfamily member 13B
著者Smart, O.S, Womack, T.O, Flensburg, C, Keller, P, Sharff, A, Paciorek, W, Vonrhein, C, Bricogne, G.
登録日2011-12-16
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献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
分子名称: 3-PHOSPHOGLYCERATE KINASE, 3-PHOSPHOGLYCERIC ACID, MAGNESIUM-5'-ADENYLY-IMIDO-TRIPHOSPHATE
著者Mcphillips, T.M, Hsu, B.T, Sherman, M.A, Mas, M.T, Rees, D.C.
登録日1996-01-04
公開日1996-06-10
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献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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