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1T19
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BU of 1t19 by Molmil
Early intermediate IE2 from time-resolved crystallography of the E46Q mutant of PYP
Descriptor: 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein
Authors:Rajagopal, S, Anderson, S, Srajer, V, Schmidt, M, Pahl, R, Moffat, K.
Deposit date:2004-04-15
Release date:2005-01-18
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A Structural Pathway for Signaling in the E46Q Mutant of Photoactive Yellow Protein
Structure, 13, 2005
1T1A
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BU of 1t1a by Molmil
Late intermediate IL1 from time-resolved crystallography of the E46Q mutant of PYP
Descriptor: 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein
Authors:Rajagopal, S, Anderson, S, Srajer, V, Schmidt, M, Pahl, R, Moffat, K.
Deposit date:2004-04-15
Release date:2005-01-18
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A Structural Pathway for Signaling in the E46Q Mutant of Photoactive Yellow Protein
Structure, 13, 2005
1T18
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BU of 1t18 by Molmil
Early intermediate IE1 from time-resolved crystallography of the E46Q mutant of PYP
Descriptor: 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein
Authors:Rajagopal, S, Anderson, S, Srajer, V, Schmidt, M, Pahl, R, Moffat, K.
Deposit date:2004-04-15
Release date:2005-01-18
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A Structural Pathway for Signaling in the E46Q Mutant of Photoactive Yellow Protein
Structure, 13, 2005
3RGP
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BU of 3rgp by Molmil
Structural and Kinetic Analysis of the Beef liver Catalase complexed with Nitric Oxide
Descriptor: Catalase, NITRIC OXIDE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Purwar, N, Schmidt, M.
Deposit date:2011-04-08
Release date:2011-05-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Interaction of nitric oxide with catalase: structural and kinetic analysis.
Biochemistry, 50, 2011
3RGS
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BU of 3rgs by Molmil
Structural and kinetic analysis of the beef liver catalase with the ammonia as a ligand
Descriptor: AMMONIA, Catalase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Purwar, N, Schmidt, M.
Deposit date:2011-04-08
Release date:2011-05-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Interaction of nitric oxide with catalase: structural and kinetic analysis.
Biochemistry, 50, 2011
3UMD
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BU of 3umd by Molmil
Structure of pB intermediate of Photoactive yellow protein (PYP) at pH 4.
Descriptor: 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein
Authors:Tripathi, S, Srajer, V, Purwar, N, Henning, R, Schmidt, M.
Deposit date:2011-11-13
Release date:2012-04-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:pH Dependence of the Photoactive Yellow Protein Photocycle Investigated by Time-Resolved Crystallography.
Biophys.J., 102, 2012
3UME
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BU of 3ume by Molmil
Structure of pB intermediate of Photoactive yellow protein (PYP) at pH 7
Descriptor: 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein
Authors:Tripathi, S, Srajer, V, Purwar, N, Henning, R, Schmidt, M.
Deposit date:2011-11-13
Release date:2012-04-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:pH Dependence of the Photoactive Yellow Protein Photocycle Investigated by Time-Resolved Crystallography.
Biophys.J., 102, 2012
5OX2
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BU of 5ox2 by Molmil
Crystal structure of thymoligase, a substrate-tailored peptiligase variant
Descriptor: Fragment of prodomain, SULFATE ION, Subtilisin BPN'
Authors:Rozeboom, H.J, Janssen, D.B.
Deposit date:2017-09-05
Release date:2018-01-10
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Design of a substrate-tailored peptiligase variant for the efficient synthesis of thymosin-alpha1.
Org. Biomol. Chem., 16, 2018
6SDZ
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BU of 6sdz by Molmil
transthyritin derived amyloid fibril from patient with hereditary V30M ATTR amyloidosis
Descriptor: Transthyretin
Authors:Fritz, G, Agarwal, S, Faendrich, M.
Deposit date:2019-07-29
Release date:2019-11-13
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Cryo-EM structure of a transthyretin-derived amyloid fibril from a patient with hereditary ATTR amyloidosis.
Nat Commun, 10, 2019
8PQ0
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BU of 8pq0 by Molmil
Structure of human PARK7 in complex with GK16R
Descriptor: (3~{R})-3-(pent-4-ynylcarbamoyl)pyrrolidine-1-carboximidothioic acid, Parkinson disease protein 7
Authors:Grethe, C, Gersch, M.
Deposit date:2023-07-10
Release date:2024-01-31
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:N-Cyanopiperazines as Specific Covalent Inhibitors of the Deubiquitinating Enzyme UCHL1.
Angew.Chem.Int.Ed.Engl., 63, 2024
8PPW
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BU of 8ppw by Molmil
Structure of human PARK7 in complex with GK16S
Descriptor: (3~{S})-1-(iminomethyl)-~{N}-pent-4-ynyl-pyrrolidine-3-carboxamide, Parkinson disease protein 7
Authors:Grethe, C, Gersch, M.
Deposit date:2023-07-10
Release date:2024-01-31
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:N-Cyanopiperazines as Specific Covalent Inhibitors of the Deubiquitinating Enzyme UCHL1.
Angew.Chem.Int.Ed.Engl., 63, 2024
8PW1
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BU of 8pw1 by Molmil
Structure of human UCHL1 in complex with CG341 inhibitor
Descriptor: (2~{S})-4-(iminomethyl)-1-methyl-~{N}-[1-[4-(pent-4-ynylcarbamoyl)phenyl]imidazol-4-yl]piperazine-2-carboxamide, Ubiquitin carboxyl-terminal hydrolase isozyme L1
Authors:Grethe, C, Gersch, M.
Deposit date:2023-07-19
Release date:2024-01-31
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:N-Cyanopiperazines as Specific Covalent Inhibitors of the Deubiquitinating Enzyme UCHL1.
Angew.Chem.Int.Ed.Engl., 63, 2024
8T6D
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BU of 8t6d by Molmil
Identification of GDC-1971 (RLY-1971), a SHP2 inhibitor designed for the treatment of solid tumors
Descriptor: (3R)-1'-[3-(3,4-dihydro-1,5-naphthyridin-1(2H)-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-3H-spiro[[1]benzofuran-2,4'-piperidin]-3-amine, SULFATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Tang, Y, Nguyen, V, Wilbur, J.D.
Deposit date:2023-06-15
Release date:2023-10-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Identification of GDC-1971 (RLY-1971), a SHP2 Inhibitor Designed for the Treatment of Solid Tumors.
J.Med.Chem., 66, 2023
8T6G
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BU of 8t6g by Molmil
Identification of GDC-1971 (RLY-1971), a SHP2 inhibitor designed for the treatment of solid tumors
Descriptor: (1S)-1-{6-[(1S)-1-amino-1,3-dihydrospiro[indene-2,4'-piperidin]-1'-yl]-3-(3,4-dihydro-1,5-naphthyridin-1(2H)-yl)-1H-pyrazolo[3,4-b]pyrazin-5-yl}ethan-1-ol, SULFATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Tang, Y, Nugyen, V, Wilbur, J.D.
Deposit date:2023-06-15
Release date:2023-10-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Identification of GDC-1971 (RLY-1971), a SHP2 Inhibitor Designed for the Treatment of Solid Tumors.
J.Med.Chem., 66, 2023
8T7Q
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BU of 8t7q by Molmil
Identification of GDC-1971 (RLY-1971), a SHP2 inhibitor designed for the treatment of solid tumors
Descriptor: 1-{3-[(2-chlorophenyl)sulfanyl]-1H-pyrazolo[3,4-b]pyrazin-6-yl}-4-methylpiperidin-4-amine, Tyrosine-protein phosphatase non-receptor type 11
Authors:Tang, Y, Nguyen, V, Wilbur, J.D.
Deposit date:2023-06-21
Release date:2023-10-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of GDC-1971 (RLY-1971), a SHP2 Inhibitor Designed for the Treatment of Solid Tumors.
J.Med.Chem., 66, 2023
8T8Q
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BU of 8t8q by Molmil
Identification of GDC-1971 (RLY-1971), a SHP2 inhibitor designed for the treatment of solid tumors
Descriptor: 1-[(3P)-3-(3-chloro-2-fluorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine, Tyrosine-protein phosphatase non-receptor type 11
Authors:Tang, Y, Nguyen, V, Wilbur, J.D.
Deposit date:2023-06-23
Release date:2023-10-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Identification of GDC-1971 (RLY-1971), a SHP2 Inhibitor Designed for the Treatment of Solid Tumors.
J.Med.Chem., 66, 2023
6PFY
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BU of 6pfy by Molmil
Membrane Protein Megahertz Crystallography at the European XFEL, Photosystem I at synchrotron to 2.9 A
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
Authors:Fromme, R.
Deposit date:2019-06-23
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Membrane protein megahertz crystallography at the European XFEL.
Nat Commun, 10, 2019
6WEB
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BU of 6web by Molmil
Multi-Hit SFX using MHz XFEL sources
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
Authors:Holmes, S, Darmanin, C, Abbey, B.
Deposit date:2020-04-01
Release date:2021-10-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Megahertz pulse trains enable multi-hit serial femtosecond crystallography experiments at X-ray free electron lasers.
Nat Commun, 13, 2022
6WEC
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BU of 6wec by Molmil
Multi-Hit SFX using MHz XFEL sources
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
Authors:Holmes, S, Darmanin, C, Abbey, B.
Deposit date:2020-04-01
Release date:2021-10-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Megahertz pulse trains enable multi-hit serial femtosecond crystallography experiments at X-ray free electron lasers.
Nat Commun, 13, 2022
5L6Q
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BU of 5l6q by Molmil
Refolded AL protein from cardiac amyloidosis
Descriptor: CARBONATE ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Annamalai, K, Liberta, F, Vielberg, M.-T, Lilie, H, Guehrs, K.-H, Schierhorn, A, Koehler, R, Schmidt, A, Haupt, C, Hegenbart, O, Schoenland, S, Groll, M, Faendrich, M.
Deposit date:2016-05-31
Release date:2017-05-31
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Common Fibril Structures Imply Systemically Conserved Protein Misfolding Pathways In Vivo.
Angew. Chem. Int. Ed. Engl., 56, 2017
7NSL
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BU of 7nsl by Molmil
AL amyloid fibril from a lambda 1 light chain
Descriptor: Amyloid lambda1 light chain
Authors:Karimi Farsijani, S, Radamaker, L, Fandrich, M.
Deposit date:2021-03-08
Release date:2021-11-24
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Role of mutations and post-translational modifications in systemic AL amyloidosis studied by cryo-EM.
Nat Commun, 12, 2021
6PGK
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BU of 6pgk by Molmil
Membrane Protein Megahertz Crystallography at the European XFEL, Photosystem I XFEL at 2.9 A
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
Authors:Fromme, R, Gisriel, C, Fromme, P.
Deposit date:2019-06-24
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Membrane protein megahertz crystallography at the European XFEL.
Nat Commun, 10, 2019
6B5X
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BU of 6b5x by Molmil
Beta-Lactamase, unmixed shards crystal form
Descriptor: Beta-lactamase, PHOSPHATE ION
Authors:Pandey, S.
Deposit date:2017-09-29
Release date:2018-06-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
7U69
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BU of 7u69 by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with Phenethyl Piperidine-4-acrylhydroxamic Acid Inhibitor
Descriptor: (2E)-N-hydroxy-3-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Herbst-Gervasoni, C.J, Christianson, D.W.
Deposit date:2022-03-03
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Identification of histone deacetylase 10 (HDAC10) inhibitors that modulate autophagy in transformed cells.
Eur.J.Med.Chem., 234, 2022
7U6A
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BU of 7u6a by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with 3-thienylmethyl Benzhydroxamic Acid Inhibitor
Descriptor: 1,2-ETHANEDIOL, N-hydroxy-4-({[(thiophen-3-yl)methyl]amino}methyl)benzamide, PHOSPHATE ION, ...
Authors:Herbst-Gervasoni, C.J, Christianson, D.W.
Deposit date:2022-03-03
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Identification of histone deacetylase 10 (HDAC10) inhibitors that modulate autophagy in transformed cells.
Eur.J.Med.Chem., 234, 2022

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