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4C5D
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BU of 4c5d by Molmil
Crystal structure of Bcl-xL in complex with benzoylurea compound (42)
Descriptor: (R)-3-(4-BROMOBENZYLTHIO)-2-(3-(3-((2,4-DIFLUOROPHENYL)ETHYNYL)BENZOYL)-3-PROPYLUREIDO)PROPANOIC ACID, 1,2-ETHANEDIOL, BCL-2-LIKE PROTEIN 1, ...
Authors:Roy, M.J, Brady, R.M, Lessene, G, Colman, P.M, Czabotar, P.E.
Deposit date:2013-09-11
Release date:2014-02-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:De-Novo Designed Library of Benzoylureas as Inhibitors of Bcl-Xl: Synthesis, Structural and Biochemical Characterization.
J.Med.Chem., 57, 2014
4C52
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BU of 4c52 by Molmil
Crystal structure of Bcl-xL in complex with benzoylurea compound (39b)
Descriptor: (R)-2-(3-(3-((2,4-DIFLUOROPENYL)ETHYNYL)BENZOYL)-3-PROPYLUREIDO)-3-(ISOBUTYLTHIO) PROPANOIC ACID, 1,2-ETHANEDIOL, BCL-2-LIKE PROTEIN 1, ...
Authors:Roy, M.J, Brady, R.M, Lessene, G, Colman, P.M, Czabotar, P.E.
Deposit date:2013-09-10
Release date:2014-02-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.049 Å)
Cite:De-Novo Designed Library of Benzoylureas as Inhibitors of Bcl-Xl: Synthesis, Structural and Biochemical Characterization.
J.Med.Chem., 57, 2014
7JZL
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BU of 7jzl by Molmil
SARS-CoV-2 spike in complex with LCB1 (2RBDs open)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LCB1, ...
Authors:Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-09-02
Release date:2020-09-23
Last modified:2020-11-04
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:De novo design of picomolar SARS-CoV-2 miniprotein inhibitors.
Science, 370, 2020
4FIC
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BU of 4fic by Molmil
Kinase domain of cSrc in complex with a hinge region-binding fragment
Descriptor: 6-phenyl[1,2,4]triazolo[1,5-a]pyrazin-2-amine, Proto-oncogene tyrosine-protein kinase Src
Authors:Richters, A, Rauh, D.
Deposit date:2012-06-08
Release date:2013-04-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:De novo design of protein kinase inhibitors by in silico identification of hinge region-binding fragments.
Acs Chem.Biol., 8, 2013
3C9V
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BU of 3c9v by Molmil
C7 Symmetrized Structure of Unliganded GroEL at 4.7 Angstrom Resolution from CryoEM
Descriptor: 60 kDa chaperonin
Authors:Ludtke, S.J, Baker, M.L, Chen, D.H, Song, J.L, Chuang, D, Chiu, W.
Deposit date:2008-02-18
Release date:2008-09-02
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:De Novo Backbone Trace of GroEL from Single Particle Electron Cryomicroscopy.
Structure, 16, 2008
3CAU
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BU of 3cau by Molmil
D7 symmetrized structure of unliganded GroEL at 4.2 Angstrom resolution by cryoEM
Descriptor: 60 kDa chaperonin
Authors:Ludtke, S.J, Baker, M.L, Chen, D.H, Song, J.L, Chuang, D, Chiu, W.
Deposit date:2008-02-20
Release date:2008-09-02
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:De Novo Backbone Trace of GroEL from Single Particle Electron Cryomicroscopy.
Structure, 16, 2008
6R0V
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BU of 6r0v by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with hydrolysis product of compound 4b
Descriptor: 2-[[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyl]-4-nitro-benzoic acid, CHLORIDE ION, Cereblon isoform 4, ...
Authors:Heim, C, Hartmann, M.D.
Deposit date:2019-03-13
Release date:2019-08-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives.
J.Med.Chem., 62, 2019
6R0U
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BU of 6r0u by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 5a and hydrolysis product
Descriptor: 3-azanyl-2-[[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyl]benzoic acid, 4-azanyl-2-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]isoindole-1,3-dione, CHLORIDE ION, ...
Authors:Heim, C, Hartmann, M.D.
Deposit date:2019-03-13
Release date:2019-08-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives.
J.Med.Chem., 62, 2019
6R0S
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BU of 6r0s by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 4a and hydrolysis product
Descriptor: 2-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-4-nitro-isoindole-1,3-dione, 2-[[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyl]-6-nitro-benzoic acid, CEREBLON ISOFORM 4, ...
Authors:Heim, C, Hartmann, M.D.
Deposit date:2019-03-13
Release date:2019-08-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives.
J.Med.Chem., 62, 2019
6R0Q
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BU of 6r0q by Molmil
Mutant cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with thalidomide metabolite alpha-(o-carboxybenzamido)glutarimide
Descriptor: 2-[[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamoyl]benzoic acid, ALA-ALA-ALA, ALA-ALA-ALA-ALA, ...
Authors:Heim, C, Hartmann, M.D.
Deposit date:2019-03-13
Release date:2019-08-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives.
J.Med.Chem., 62, 2019
6R11
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BU of 6r11 by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 5b
Descriptor: 5-azanyl-2-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]isoindole-1,3-dione, CHLORIDE ION, Cereblon isoform 4, ...
Authors:Heim, C, Hartmann, M.D.
Deposit date:2019-03-13
Release date:2019-08-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives.
J.Med.Chem., 62, 2019
6R13
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BU of 6r13 by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 7f
Descriptor: CHLORIDE ION, Cereblon isoform 4, PHOSPHATE ION, ...
Authors:Heim, C, Hartmann, M.D.
Deposit date:2019-03-13
Release date:2019-08-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives.
J.Med.Chem., 62, 2019
6R12
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BU of 6r12 by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 7b
Descriptor: CHLORIDE ION, Cereblon isoform 4, PHOSPHATE ION, ...
Authors:Heim, C, Hartmann, M.D.
Deposit date:2019-03-13
Release date:2019-08-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives.
J.Med.Chem., 62, 2019
6R18
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BU of 6r18 by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 11a
Descriptor: CHLORIDE ION, Cereblon isoform 4, PHOSPHATE ION, ...
Authors:Heim, C, Hartmann, M.D.
Deposit date:2019-03-14
Release date:2019-08-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives.
J.Med.Chem., 62, 2019
6R19
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BU of 6r19 by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 20a
Descriptor: Cereblon isoform 4, PHOSPHATE ION, S-Thalidomide, ...
Authors:Heim, C, Hartmann, M.D.
Deposit date:2019-03-14
Release date:2019-08-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives.
J.Med.Chem., 62, 2019
6R1A
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BU of 6r1a by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 20b
Descriptor: Cereblon isoform 4, PHOSPHATE ION, S-Thalidomide, ...
Authors:Heim, C, Hartmann, M.D.
Deposit date:2019-03-14
Release date:2019-08-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives.
J.Med.Chem., 62, 2019
6R1D
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BU of 6r1d by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 7d, co-crystallized
Descriptor: (phenylmethyl) ~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamate, Cereblon isoform 4, ZINC ION
Authors:Heim, C, Hartmann, M.D.
Deposit date:2019-03-14
Release date:2019-08-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives.
J.Med.Chem., 62, 2019
6R1K
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BU of 6r1k by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 7c
Descriptor: Cereblon isoform 4, PHOSPHATE ION, ZINC ION, ...
Authors:Heim, C, Hartmann, M.D.
Deposit date:2019-03-14
Release date:2019-08-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives.
J.Med.Chem., 62, 2019
6R1W
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BU of 6r1w by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 16b
Descriptor: (4-azanylcyclohexyl)methyl ~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamate, Cereblon isoform 4, PHOSPHATE ION, ...
Authors:Heim, C, Hartmann, M.D.
Deposit date:2019-03-15
Release date:2019-08-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives.
J.Med.Chem., 62, 2019
6R1X
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BU of 6r1x by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 7a
Descriptor: Cereblon isoform 4, ZINC ION, ~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-3-methyl-but-2-enamide
Authors:Heim, C, Hartmann, M.D.
Deposit date:2019-03-15
Release date:2019-08-07
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives.
J.Med.Chem., 62, 2019
6R1C
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BU of 6r1c by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 12a
Descriptor: 4-[[4-[[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyloxymethyl]phenyl]methylamino]-4-oxidanylidene-butanoic acid, ASPARTIC ACID, CHLORIDE ION, ...
Authors:Heim, C, Hartmann, M.D.
Deposit date:2019-03-14
Release date:2019-08-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives.
J.Med.Chem., 62, 2019
3ZFS
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BU of 3zfs by Molmil
Cryo-EM structure of the F420-reducing NiFe-hydrogenase from a methanogenic archaeon with bound substrate
Descriptor: CARBONMONOXIDE-(DICYANO) IRON, COENZYME F420, F420-REDUCING HYDROGENASE, ...
Authors:Mills, D.J, Vitt, S, Strauss, M, Shima, S, Vonck, J.
Deposit date:2012-12-12
Release date:2013-03-06
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (4 Å)
Cite:De Novo Modeling of the F420-Reducing [Nife]-Hydrogenase from a Methanogenic Archaeon by Cryo-Electron Microscopy
Elife, 2, 2013
6TWC
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BU of 6twc by Molmil
Crystal Structure of the Catalytic Domain of the Coagulation Factor XIa in Complex with Double Bridged Peptide F21
Descriptor: ACETONE, Coagulation factor XI, Double Bridged Peptide F21
Authors:Kong, X.D, Pojer, F, Heinis, C.
Deposit date:2020-01-13
Release date:2020-05-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:De novo development of proteolytically resistant therapeutic peptides for oral administration.
Nat Biomed Eng, 4, 2020
6TWB
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BU of 6twb by Molmil
Crystal Structure of the Catalytic Domain of Coagulation Factor XIa in Complex with Double Bridged Peptide F19
Descriptor: AMMONIUM ION, Coagulation factor XI, Double Bridged Peptide F19
Authors:Kong, X.D, Pojer, F, Heinis, C.
Deposit date:2020-01-13
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:De novo development of proteolytically resistant therapeutic peptides for oral administration.
Nat Biomed Eng, 4, 2020
8UMR
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BU of 8umr by Molmil
T33-ml35 Assembly Intermediate - Designed Tetrahedral Protein Cage Using Machine Learning Algorithms
Descriptor: T33-ml35-redesigned-CutA-fold, T33-ml35-redesigned-TPR-domain-fold
Authors:Castells-Graells, R, Meador, K, Sawaya, M.R, Yeates, T.O.
Deposit date:2023-10-18
Release date:2024-03-06
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (4.42 Å)
Cite:A suite of designed protein cages using machine learning and protein fragment-based protocols.
Structure, 32, 2024

221371

數據於2024-06-19公開中

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