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6EL6
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BU of 6el6 by Molmil
Glucocorticoid Receptor in complex with compound 4
Descriptor: 1,2-ETHANEDIOL, Glucocorticoid receptor, Nuclear receptor coactivator 2, ...
Authors:Edman, K, Wissler, L.
Deposit date:2017-09-28
Release date:2018-02-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of a Novel Oral Glucocorticoid Receptor Modulator (AZD9567) with Improved Side Effect Profile.
J. Med. Chem., 61, 2018
6EL7
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BU of 6el7 by Molmil
Glucocorticoid Receptor in complex with compound 31
Descriptor: 1,2-ETHANEDIOL, Glucocorticoid receptor, Nuclear receptor coactivator 2, ...
Authors:Edman, K, Wissler, L.
Deposit date:2017-09-28
Release date:2018-02-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Discovery of a Novel Oral Glucocorticoid Receptor Modulator (AZD9567) with Improved Side Effect Profile.
J. Med. Chem., 61, 2018
6EL9
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BU of 6el9 by Molmil
Glucocorticoid Receptor in complex with AZD9567
Descriptor: 1,2-ETHANEDIOL, 2,2-bis(fluoranyl)-~{N}-[(1~{R},2~{S})-3-methyl-1-[1-(1-methyl-6-oxidanylidene-pyridin-3-yl)indazol-5-yl]oxy-1-phenyl-butan-2-yl]propanamide, Glucocorticoid receptor, ...
Authors:Edman, K, Wissler, L.
Deposit date:2017-09-28
Release date:2018-02-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Discovery of a Novel Oral Glucocorticoid Receptor Modulator (AZD9567) with Improved Side Effect Profile.
J. Med. Chem., 61, 2018
8B3X
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BU of 8b3x by Molmil
High resolution crystal structure of dimeric SUDV VP40
Descriptor: Matrix protein VP40
Authors:Werner, A.-D, Norris, M, Saphire, E.O, Becker, S.
Deposit date:2022-09-17
Release date:2023-06-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.531 Å)
Cite:The C-terminus of Sudan ebolavirus VP40 contains a functionally important CX n C motif, a target for redox modifications.
Structure, 31, 2023
4MOY
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BU of 4moy by Molmil
Structure of a second nuclear PP1 Holoenzyme, crystal form 1
Descriptor: CHLORIDE ION, GLYCEROL, MANGANESE (II) ION, ...
Authors:Choy, M.S, Hieke, M, Peti, W, Page, R.
Deposit date:2013-09-12
Release date:2014-03-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1953 Å)
Cite:Understanding the antagonism of retinoblastoma protein dephosphorylation by PNUTS provides insights into the PP1 regulatory code.
Proc.Natl.Acad.Sci.USA, 111, 2014
4MOV
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BU of 4mov by Molmil
1.45 A Resolution Crystal Structure of Protein Phosphatase 1
Descriptor: CHLORIDE ION, MANGANESE (II) ION, PHOSPHATE ION, ...
Authors:Choy, M.S, Peti, W, Page, R.
Deposit date:2013-09-12
Release date:2014-03-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.4503 Å)
Cite:Understanding the antagonism of retinoblastoma protein dephosphorylation by PNUTS provides insights into the PP1 regulatory code.
Proc.Natl.Acad.Sci.USA, 111, 2014
8B1P
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BU of 8b1p by Molmil
Crystal structure of SUDV VP40 CCS mutant
Descriptor: Matrix protein VP40
Authors:Werner, A.-D, Becker, S.
Deposit date:2022-09-11
Release date:2023-06-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The C-terminus of Sudan ebolavirus VP40 contains a functionally important CX n C motif, a target for redox modifications.
Structure, 31, 2023
8B1O
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BU of 8b1o by Molmil
Crystal structure of SUDV VP40 C314S mutant
Descriptor: Matrix protein VP40
Authors:Werner, A.-D, Becker, S.
Deposit date:2022-09-11
Release date:2023-06-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The C-terminus of Sudan ebolavirus VP40 contains a functionally important CX n C motif, a target for redox modifications.
Structure, 31, 2023
7OVT
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BU of 7ovt by Molmil
major seeded in vitro fibril morphology from murine SAA1.1 protein
Descriptor: Serum amyloid A-2 protein
Authors:Heerde, T, Schmidt, M, Faendrich, M.
Deposit date:2021-06-15
Release date:2022-02-02
Method:ELECTRON MICROSCOPY (2.69 Å)
Cite:Cryo-EM demonstrates the in vitro proliferation of an ex vivo amyloid fibril morphology by seeding.
Nat Commun, 13, 2022
7LTY
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BU of 7lty by Molmil
Bruton's tyrosine kinase in complex with compound 23
Descriptor: DIMETHYL SULFOXIDE, Isoform BTK-C of Tyrosine-protein kinase BTK, ~{N}-[(5~{R})-2-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5~{H}-benzo[7]annulen-5-yl]-3-propan-2-yloxy-azetidine-1-carboxamide
Authors:Metrick, C.M, Marcotte, D.J.
Deposit date:2021-02-20
Release date:2022-01-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Discovery and Preclinical Characterization of BIIB091, a Reversible, Selective BTK Inhibitor for the Treatment of Multiple Sclerosis.
J.Med.Chem., 65, 2022
6QBA
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BU of 6qba by Molmil
Crystal Structure of Retinol-Binding Protein 4 (RBP4) in complex with non-retinoid ligand A1120 and engineered binding scaffold
Descriptor: 2-[({4-[2-(trifluoromethyl)phenyl]piperidin-1-yl}carbonyl)amino]benzoic acid, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Mlynek, G, Brey, C.U, Djinovic-Carugo, K, Puehringer, D.
Deposit date:2018-12-20
Release date:2020-06-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A conformation-specific ON-switch for controlling CAR T cells with an orally available drug.
Proc.Natl.Acad.Sci.USA, 117, 2020
8PFP
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BU of 8pfp by Molmil
Crystal structure of WRN helicase domain in complex with ATPgammaS
Descriptor: Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ZINC ION
Authors:Scheufler, C, Villard, F.
Deposit date:2023-06-16
Release date:2024-04-24
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of WRN inhibitor HRO761 with synthetic lethality in MSI cancers.
Nature, 629, 2024
8PFL
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BU of 8pfl by Molmil
Crystal structure of WRN helicase domain in complex with 3
Descriptor: 2-[2-(3,6-dihydro-2~{H}-pyran-4-yl)-5-ethyl-7-oxidanylidene-6-[4-(3-oxidanylpyridin-2-yl)carbonylpiperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-~{N}-[2-methyl-4-(trifluoromethyl)phenyl]ethanamide, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, ZINC ION
Authors:Scheufler, C, Meyer, M, Moebitz, H.
Deposit date:2023-06-16
Release date:2024-04-24
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of WRN inhibitor HRO761 with synthetic lethality in MSI cancers.
Nature, 629, 2024
8PFO
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BU of 8pfo by Molmil
Crystal structure of WRN helicase domain in complex with HRO761
Descriptor: Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, ZINC ION, ~{N}-[2-chloranyl-4-(trifluoromethyl)phenyl]-2-[2-(3,6-dihydro-2~{H}-pyran-4-yl)-5-ethyl-6-[4-(6-methyl-5-oxidanyl-pyrimidin-4-yl)carbonylpiperazin-1-yl]-7-oxidanylidene-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]ethanamide
Authors:Scheufler, C, Meyer, M, Moebitz, H.
Deposit date:2023-06-16
Release date:2024-04-24
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of WRN inhibitor HRO761 with synthetic lethality in MSI cancers.
Nature, 629, 2024
7LTZ
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BU of 7ltz by Molmil
Bruton's tyrosine kinase in complex with compound 51
Descriptor: 1-~{tert}-butyl-~{N}-[(5~{R})-8-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-(oxetan-3-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-yl]-1,2,3-triazole-4-carboxamide, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACETATE ION, ...
Authors:Metrick, C.M, Marcotte, D.J.
Deposit date:2021-02-20
Release date:2022-01-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Discovery and Preclinical Characterization of BIIB091, a Reversible, Selective BTK Inhibitor for the Treatment of Multiple Sclerosis.
J.Med.Chem., 65, 2022
4UEU
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BU of 4ueu by Molmil
Tyrosine kinase AS - a common ancestor of Src and Abl
Descriptor: PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, TYROSINE KINASE AS - A COMMON ANCESTOR OF SRC AND ABL
Authors:Kutter, S, Wilson, C, Agafonov, R.V, Hoemberger, M.S, Zorba, A, Halpin, J.C, Theobald, D.L, Kern, D.
Deposit date:2014-12-18
Release date:2015-02-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Kinase Dynamics. Using Ancient Protein Kinases to Unravel a Modern Cancer Drug'S Mechanism.
Science, 347, 2015
8TU4
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BU of 8tu4 by Molmil
Bruton's tyrosine kinase in complex with covalent inhibitor compound 25
Descriptor: N-methyl-N-[(1S,3r)-3-methyl-3-{[(6M,8S)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy}cyclobutyl]propanamide, Tyrosine-protein kinase BTK
Authors:Metrick, C.M.
Deposit date:2023-08-15
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery and Preclinical Characterization of BIIB129, a Covalent, Selective, and Brain-Penetrant BTK Inhibitor for the Treatment of Multiple Sclerosis.
J.Med.Chem., 67, 2024
8TU5
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BU of 8tu5 by Molmil
Bruton's tyrosine kinase in complex with covalent inhibitor compound 27
Descriptor: 1-[(1S,5S,6S)-6-methyl-6-{[(6M,8R)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy}-2-azabicyclo[3.2.0]heptan-2-yl]propan-1-one, Tyrosine-protein kinase BTK
Authors:Metrick, C.M.
Deposit date:2023-08-15
Release date:2024-06-26
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery and Preclinical Characterization of BIIB129, a Covalent, Selective, and Brain-Penetrant BTK Inhibitor for the Treatment of Multiple Sclerosis.
J.Med.Chem., 67, 2024
8TU3
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BU of 8tu3 by Molmil
Bruton's tyrosine kinase in complex with covalent inhibitor compound 10
Descriptor: 1-[(4R)-4-{[(6P,8S)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy}azepan-1-yl]propan-1-one, Tyrosine-protein kinase BTK
Authors:Metrick, C.M.
Deposit date:2023-08-15
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery and Preclinical Characterization of BIIB129, a Covalent, Selective, and Brain-Penetrant BTK Inhibitor for the Treatment of Multiple Sclerosis.
J.Med.Chem., 67, 2024
6ZMO
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BU of 6zmo by Molmil
SARS-CoV-2 Nsp1 bound to the human LYAR-80S-eEF1a ribosome complex
Descriptor: 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ...
Authors:Thoms, M, Buschauer, R, Ameismeier, M, Denk, T, Kratzat, H, Mackens-Kiani, T, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R.
Deposit date:2020-07-03
Release date:2020-08-19
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis for translational shutdown and immune evasion by the Nsp1 protein of SARS-CoV-2.
Science, 369, 2020
6ZM7
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BU of 6zm7 by Molmil
SARS-CoV-2 Nsp1 bound to the human CCDC124-80S-EBP1 ribosome complex
Descriptor: 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ...
Authors:Thoms, M, Buschauer, R, Ameismeier, M, Denk, T, Kratzat, H, Mackens-Kiani, T, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R.
Deposit date:2020-07-01
Release date:2020-07-29
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structural basis for translational shutdown and immune evasion by the Nsp1 protein of SARS-CoV-2.
Science, 369, 2020
6ZMI
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BU of 6zmi by Molmil
SARS-CoV-2 Nsp1 bound to the human LYAR-80S ribosome complex
Descriptor: 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ...
Authors:Thoms, M, Buschauer, R, Ameismeier, M, Denk, T, Kratzat, H, Mackens-Kiani, T, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R.
Deposit date:2020-07-02
Release date:2020-08-19
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structural basis for translational shutdown and immune evasion by the Nsp1 protein of SARS-CoV-2.
Science, 369, 2020
6ZON
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BU of 6zon by Molmil
SARS-CoV-2 Nsp1 bound to a human 43S preinitiation ribosome complex - state 1
Descriptor: 18S ribosomal RNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ...
Authors:Thoms, M, Buschauer, R, Ameismeier, M, Denk, T, Kratzat, H, Mackens-Kiani, T, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R.
Deposit date:2020-07-07
Release date:2020-07-29
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis for translational shutdown and immune evasion by the Nsp1 protein of SARS-CoV-2.
Science, 369, 2020
6ZLW
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BU of 6zlw by Molmil
SARS-CoV-2 Nsp1 bound to the human 40S ribosomal subunit
Descriptor: 18S ribosomal RNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ...
Authors:Thoms, M, Buschauer, R, Ameismeier, M, Denk, T, Kratzat, H, Mackens-Kiani, T, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R.
Deposit date:2020-07-01
Release date:2020-07-29
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structural basis for translational shutdown and immune evasion by the Nsp1 protein of SARS-CoV-2.
Science, 369, 2020
6ZME
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BU of 6zme by Molmil
SARS-CoV-2 Nsp1 bound to the human CCDC124-80S-eERF1 ribosome complex
Descriptor: 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ...
Authors:Thoms, M, Buschauer, R, Ameismeier, M, Denk, T, Kratzat, H, Mackens-Kiani, T, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R.
Deposit date:2020-07-02
Release date:2020-08-12
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis for translational shutdown and immune evasion by the Nsp1 protein of SARS-CoV-2.
Science, 369, 2020

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