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7B12
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BU of 7b12 by Molmil
HUMAN IMMUNOPROTEASOME 20S PARTICLE IN COMPLEX WITH [2-(3-ethylphenyl)-1-[(2S)-3-phenyl-2-[(pyrazin-2-yl)formamido]propanamido]ethyl]boronic acid
Descriptor: ((R)-2-(3-ethylphenyl)-1-((S)-3-phenyl-2-(pyrazine-2-carboxamido)propanamido)ethyl)boronic acid, Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, ...
Authors:Musil, D, Klein, M, Crosignani, S.
Deposit date:2020-11-23
Release date:2021-12-01
Last modified:2023-06-14
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Structure-Based Optimization and Discovery of M3258, a Specific Inhibitor of the Immunoproteasome Subunit LMP7 ( beta 5i).
J.Med.Chem., 64, 2021
4P1Q
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BU of 4p1q by Molmil
GREEN FLUORESCENT PROTEIN E222H VARIANT
Descriptor: Green fluorescent protein, SODIUM ION
Authors:Klein, M, Carius, Y, Auerbach, D, Franz, S, Jung, G, Lancaster, C.R.D.
Deposit date:2014-02-27
Release date:2014-07-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Replacement of Highly Conserved E222 by the Photostable Non-photoconvertible Histidine in GFP.
Chembiochem, 15, 2014
7AWE
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BU of 7awe by Molmil
HUMAN IMMUNOPROTEASOME 20S PARTICLE IN COMPLEX WITH [(1R)-2-(1-benzofuran-3-yl)-1-{[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]formamido}ethyl]boronic acid
Descriptor: Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ...
Authors:Musil, D, Klein, M.
Deposit date:2020-11-06
Release date:2021-06-09
Last modified:2021-08-11
Method:X-RAY DIFFRACTION (2.288 Å)
Cite:M3258 Is a Selective Inhibitor of the Immunoproteasome Subunit LMP7 ( beta 5i) Delivering Efficacy in Multiple Myeloma Models.
Mol.Cancer Ther., 20, 2021
2B90
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BU of 2b90 by Molmil
Crystal structure of the interleukin-4 variant T13DR85A
Descriptor: Interleukin-4, SULFATE ION
Authors:Kraich, M, Klein, M, Patino, E, Harrer, H, Sebald, W, Mueller, T.D.
Deposit date:2005-10-10
Release date:2006-05-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A modular interface of IL-4 allows for scalable affinity without affecting specificity for the IL-4 receptor
Bmc Biol., 4, 2006
2B8U
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BU of 2b8u by Molmil
Crystal structure of wildtype human Interleukin-4
Descriptor: Interleukin-4, SULFATE ION
Authors:Kraich, M, Klein, M, Patino, E, Harrer, H, Sebald, W, Mueller, T.D.
Deposit date:2005-10-10
Release date:2006-05-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A modular interface of IL-4 allows for scalable affinity without affecting specificity for the IL-4 receptor
Bmc Biol., 4, 2006
2B8Y
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BU of 2b8y by Molmil
Crystal structure of the interleukin-4 variant T13DF82D
Descriptor: Interleukin-4, SULFATE ION
Authors:Kraich, M, Klein, M, Patino, E, Harrer, H, Sebald, W, Mueller, T.D.
Deposit date:2005-10-10
Release date:2006-05-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A modular interface of IL-4 allows for scalable affinity without affecting specificity for the IL-4 receptor
Bmc Biol., 4, 2006
2B91
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BU of 2b91 by Molmil
Crystal structure of the interleukin-4 variant F82DR85A
Descriptor: Interleukin-4, SULFATE ION
Authors:Kraich, M, Klein, M, Patino, E, Harrer, H, Sebald, W, Mueller, T.D.
Deposit date:2005-10-10
Release date:2006-05-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:A modular interface of IL-4 allows for scalable affinity without affecting specificity for the IL-4 receptor
Bmc Biol., 4, 2006
2B8Z
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BU of 2b8z by Molmil
Crystal structure of the interleukin-4 variant R85A
Descriptor: Interleukin-4, SULFATE ION
Authors:Kraich, M, Klein, M, Patino, E, Harrer, H, Sebald, W, Mueller, T.D.
Deposit date:2005-10-10
Release date:2006-05-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A modular interface of IL-4 allows for scalable affinity without affecting specificity for the IL-4 receptor
Bmc Biol., 4, 2006
2B8X
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Crystal structure of the interleukin-4 variant F82D
Descriptor: Interleukin-4, SULFATE ION
Authors:Kraich, M, Klein, M, Patino, E, Harrer, H, Sebald, W, Mueller, T.D.
Deposit date:2005-10-10
Release date:2006-05-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A modular interface of IL-4 allows for scalable affinity without affecting specificity for the IL-4 receptor
Bmc Biol., 4, 2006
4OD9
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BU of 4od9 by Molmil
Structure of Cathepsin D with inhibitor N-(3,4-dimethoxybenzyl)-Nalpha-{N-[(3,4-dimethoxyphenyl)acetyl]carbamimidoyl}-D-phenylalaninamide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Graedler, U, Czodrowski, P, Tsaklakidis, C, Klein, M, Maskos, K, Leuthner, B.
Deposit date:2014-01-10
Release date:2014-08-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-based optimization of non-peptidic Cathepsin D inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4OC6
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BU of 4oc6 by Molmil
Structure of Cathepsin D with inhibitor 2-bromo-N-[(2S,3S)-4-{[2-(2,4-dichlorophenyl)ethyl][3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]amino}-3-hydroxy-1-(3-phenoxyphenyl)butan-2-yl]-4,5-dimethoxybenzamide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-bromo-N-[(2S,3S)-4-{[2-(2,4-dichlorophenyl)ethyl][3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]amino}-3-hydroxy-1-(3-phenoxyphenyl)butan-2-yl]-4,5-dimethoxybenzamide, Cathepsin D heavy chain, ...
Authors:Graedler, U, Czodrowski, P, Tsaklakidis, C, Klein, M, Maskos, K, Leuthner, B.
Deposit date:2014-01-08
Release date:2014-08-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Structure-based optimization of non-peptidic Cathepsin D inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4OBZ
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BU of 4obz by Molmil
Structure of Cathepsin D with inhibitor 2-(3,4-dimethoxyphenyl)-N-[N-(4-methylbenzyl)carbamimidoyl]acetamide
Descriptor: 2-(3,4-dimethoxyphenyl)-N-[N-(4-methylbenzyl)carbamimidoyl]acetamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Graedler, U, Czodrowski, P, Tsaklakidis, C, Klein, M, Maskos, K, Leuthner, B.
Deposit date:2014-01-08
Release date:2014-08-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure-based optimization of non-peptidic Cathepsin D inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
2D48
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BU of 2d48 by Molmil
Crystal structure of the Interleukin-4 variant T13D
Descriptor: Interleukin-4, SULFATE ION
Authors:Kraich, M, Klein, M, Patino, E, Harrer, H, Sebald, W, Mueller, T.D.
Deposit date:2005-10-11
Release date:2006-05-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A modular interface of IL-4 allows for scalable affinity without affecting specificity for the IL-4 receptor
Bmc Biol., 4, 2006
5F9E
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BU of 5f9e by Molmil
Structure of Protein Kinase C theta with compound 10: 2,2-dimethyl-7-(2-oxidanylidene-3~{H}-imidazo[4,5-b]pyridin-1-yl)-1-(phenylmethyl)-3~{H}-quinazolin-4-one
Descriptor: 2,2-dimethyl-7-(2-oxidanylidene-3~{H}-imidazo[4,5-b]pyridin-1-yl)-1-(phenylmethyl)-3~{H}-quinazolin-4-one, Protein kinase C theta type
Authors:Klein, M.
Deposit date:2015-12-09
Release date:2016-05-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery and optimization of 1,7-disubstituted-2,2-dimethyl-2,3-dihydroquinazolin-4(1H)-ones as potent and selective PKC theta inhibitors.
Bioorg.Med.Chem., 24, 2016
6RCF
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BU of 6rcf by Molmil
ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-15]-OH
Descriptor: 2-[(3~{a}~{R},6~{R},8~{a}~{S})-1-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-6-ethyl-8-oxidanylidene-3,3~{a},6,8~{a}-tetrahydro-2~{H}-pyrrolo[2,3-c]azepin-7-yl]ethanoic acid, NITRATE ION, Protein enabled homolog
Authors:Barone, M, Roske, Y.
Deposit date:2019-04-11
Release date:2020-05-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells.
Proc.Natl.Acad.Sci.USA, 117, 2020
6RCJ
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BU of 6rcj by Molmil
ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-15]-OMe
Descriptor: GLYCEROL, NITRATE ION, Protein enabled homolog, ...
Authors:Barone, M, Roske, Y.
Deposit date:2019-04-11
Release date:2020-05-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells.
Proc.Natl.Acad.Sci.USA, 117, 2020
6RD2
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BU of 6rd2 by Molmil
ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-1]-TEDEL-NH2
Descriptor: (3~{S},7~{R},10~{R},13~{S})-4-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid, GLYCEROL, NITRATE ION, ...
Authors:Barone, M, Roske, Y.
Deposit date:2019-04-12
Release date:2020-05-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1 Å)
Cite:Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells.
Proc.Natl.Acad.Sci.USA, 117, 2020
6XVT
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BU of 6xvt by Molmil
ENAH EVH1 in complex with Ac-[2-Cl-F]-PPPPTEDDL-NH2
Descriptor: ACY-SC1-SC2-SC3-SC4-SC5-NME, NITRATE ION, Protein enabled homolog, ...
Authors:Barone, M, Le Cong, K, Roske, Y.
Deposit date:2020-01-22
Release date:2020-03-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells.
Proc.Natl.Acad.Sci.USA, 117, 2020
6XXR
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BU of 6xxr by Molmil
ENAH EVH1 in complex with Ac-[2-Cl-F]-PPPPTEDEA-NH2
Descriptor: Ac-[2-Cl-F]-PPPPTEDEA-NH2, NITRATE ION, Protein enabled homolog
Authors:Barone, M, Le Cong, K, Roske, Y.
Deposit date:2020-01-28
Release date:2020-11-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells.
Proc.Natl.Acad.Sci.USA, 117, 2020
6DXL
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BU of 6dxl by Molmil
Linked amidobenzimidazole STING agonist
Descriptor: 1,1'-(butane-1,4-diyl)bis{2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-1H-benzimidazole-5-carboxamide}, CALCIUM ION, Stimulator of interferon protein
Authors:Concha, N.O.
Deposit date:2018-06-29
Release date:2018-11-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Design of amidobenzimidazole STING receptor agonists with systemic activity.
Nature, 564, 2018
6DXG
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BU of 6dxg by Molmil
amidobenzimidazole (ABZI) STING agonists
Descriptor: 2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-1-[(2R)-2-hydroxy-2-phenylethyl]-1H-benzimidazole-5-carboxamide, CALCIUM ION, Stimulator of interferon protein
Authors:Concha, N.O.
Deposit date:2018-06-28
Release date:2018-11-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.905 Å)
Cite:Design of amidobenzimidazole STING receptor agonists with systemic activity.
Nature, 564, 2018
7A5M
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BU of 7a5m by Molmil
ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-17]-OMe
Descriptor: Ac-[2-Cl-F]-[ProM-2]-[ProM-17]-OMe, NITRATE ION, Protein enabled homolog
Authors:Barone, M, Roske, Y.
Deposit date:2020-08-21
Release date:2020-10-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (0.78 Å)
Cite:Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells.
Proc.Natl.Acad.Sci.USA, 117, 2020
7AKI
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BU of 7aki by Molmil
ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-1]-NH2
Descriptor: (3~{S},7~{R},10~{R},13~{S})-4-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxamide, NITRATE ION, Protein enabled homolog
Authors:Barone, M, Roske, Y.
Deposit date:2020-10-01
Release date:2020-11-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells.
Proc.Natl.Acad.Sci.USA, 117, 2020
1U8K
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BU of 1u8k by Molmil
Crystal structure of the HIV-1 Cross Neutralizing Monoclonal Antibody 2F5 in complex with gp41 Peptide LELDKWASL
Descriptor: ANTIBODY 2F5 (HEAVY CHAIN), ANTIBODY 2F5 (LIGHT CHAIN), GP41 PEPTIDE
Authors:Bryson, S, Julien, J.-P, Pai, E.F.
Deposit date:2004-08-06
Release date:2004-10-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Crystal structure of the HIV-1 Cross Neutralizing Monoclonal Antibody 2F5 in complex with gp41 Peptides and Peptide Mimetics
To be Published
2NYT
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BU of 2nyt by Molmil
The APOBEC2 Crystal Structure and Functional Implications for AID
Descriptor: Probable C->U-editing enzyme APOBEC-2, ZINC ION
Authors:Prochnow, C, Bransteitter, R, Klein, M, Goodman, M, Chen, X.
Deposit date:2006-11-21
Release date:2007-01-09
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The APOBEC-2 crystal structure and functional implications for the deaminase AID.
Nature, 445, 2007

 

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