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7RSM
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BU of 7rsm by Molmil
Crystal structure of pyrrolysyl-tRNA synthetase (N346D/C348S/Y384F) in complex with o-Chlorophenylalanine and AMP-PNP
Descriptor: 2-chloro-L-phenylalanine, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Pyrrolysine--tRNA ligase
Authors:Yang, K, Liu, W.
Deposit date:2021-08-11
Release date:2022-07-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:A Designed, Highly Efficient Pyrrolysyl-tRNA Synthetase Mutant Binds o-Chlorophenylalanine Using Two Halogen Bonds.
J.Mol.Biol., 434, 2022
9G7G
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BU of 9g7g by Molmil
Structure of the clippase PaJOS from Pigmentiphaga aceris
Descriptor: PaJOS, Polyubiquitin-B, prop-2-en-1-amine
Authors:Baumann, U, Uthoff, M, Hermanns, T, Hofmann, K.
Deposit date:2024-07-21
Release date:2025-04-23
Last modified:2025-05-21
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:A family of bacterial Josephin-like deubiquitinases with an irreversible cleavage mode.
Mol.Cell, 85, 2025
7RVS
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BU of 7rvs by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI19
Descriptor: 3C-like proteinase, N-[(benzyloxy)carbonyl]-3-methyl-L-valyl-3-cyclopropyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide
Authors:Yang, K, Liu, W.
Deposit date:2021-08-19
Release date:2022-07-20
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
9GF7
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BU of 9gf7 by Molmil
SARS-CoV2 Main Protease (Mpro) in complex with the covalent inhibitor 28a
Descriptor: 3C-like proteinase nsp5, ~{N}-[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]quinoline-8-carboxamide
Authors:Lolicato, M, Arrigoni, C.
Deposit date:2024-08-08
Release date:2025-04-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Synthesis and biological investigation of peptidomimetic SARS-CoV-2 main protease inhibitors bearing quinoline-based heterocycles at P 3.
Arch Pharm, 358, 2025
1LZ8
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BU of 1lz8 by Molmil
LYSOZYME PHASED ON ANOMALOUS SIGNAL OF SULFURS AND CHLORINES
Descriptor: CHLORIDE ION, PROTEIN (LYSOZYME), SODIUM ION
Authors:Dauter, Z, Dauter, M, De La Fortelle, E, Bricogne, G, Sheldrick, G.M.
Deposit date:1999-03-14
Release date:1999-05-26
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Can anomalous signal of sulfur become a tool for solving protein crystal structures?
J.Mol.Biol., 289, 1999
9G5C
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BU of 9g5c by Molmil
Assembly intermediate of human mitochondrial ribosome small subunit (State B)
Descriptor: 12S mitochondrial rRNA, 12S rRNA N4-methylcytidine (m4C) methyltransferase, 28S ribosomal protein S10, ...
Authors:Finke, A.F, Heinrichs, M, Aibara, S, Richter-Dennerlein, R, Hillen, H.S.
Deposit date:2024-07-16
Release date:2025-04-23
Last modified:2025-04-30
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Coupling of ribosome biogenesis and translation initiation in human mitochondria.
Nat Commun, 16, 2025
2OWI
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BU of 2owi by Molmil
Solution structure of the RGS domain from human RGS18
Descriptor: Regulator of G-protein signaling 18
Authors:Higman, V.A, Leidert, M, Bray, J, Elkins, J, Soundararajan, M, Doyle, D.A, Gileadi, C, Phillips, C, Schoch, G, Yang, X, Brockmann, C, Schmieder, P, Diehl, A, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, Oschkinat, H, Ball, L.J, Structural Genomics Consortium (SGC)
Deposit date:2007-02-16
Release date:2007-02-27
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits.
Proc.Natl.Acad.Sci.Usa, 105, 2008
1M0I
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BU of 1m0i by Molmil
Crystal Structure of Bacteriophage T7 Endonuclease I with a Wild-Type Active Site
Descriptor: SULFATE ION, endodeoxyribonuclease I
Authors:Hadden, J.M, Declais, A.C, Phillips, S.E, Lilley, D.M.
Deposit date:2002-06-13
Release date:2002-12-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Metal ions bound at the active site of the junction-resolving enzyme T7 endonuclease I
Embo J., 21, 2002
9G5B
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BU of 9g5b by Molmil
Assembly intermediate of human mitochondrial ribosome small subunit (State A)
Descriptor: 12S mitochondrial rRNA, 28S ribosomal protein S10, mitochondrial, ...
Authors:Finke, A.F, Heinrichs, M, Aibara, S, Richter-Dennerlein, R, Hillen, H.S.
Deposit date:2024-07-16
Release date:2025-04-23
Last modified:2025-04-30
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Coupling of ribosome biogenesis and translation initiation in human mitochondria.
Nat Commun, 16, 2025
7RVO
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BU of 7rvo by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI13
Descriptor: 3C-like proteinase, N-[(benzyloxy)carbonyl]-L-valyl-3-cyclopropyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide
Authors:Yang, K, Sankaran, B, Liu, W.
Deposit date:2021-08-19
Release date:2022-07-20
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
9GLR
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BU of 9glr by Molmil
Crystal Structure of Human UBC9 C93E
Descriptor: SUMO-conjugating enzyme UBC9
Authors:Kumar, M, Banerjee, S, Wiener, R.
Deposit date:2024-08-28
Release date:2025-05-07
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:UFC1 reveals the multifactorial and plastic nature of oxyanion holes in E2 conjugating enzymes.
Nat Commun, 16, 2025
1M1C
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BU of 1m1c by Molmil
Structure of the L-A virus
Descriptor: Major coat protein
Authors:Naitow, H, Tang, J, Canady, M, Wickner, R.B, Johnson, J.E.
Deposit date:2002-06-18
Release date:2002-10-02
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:L-A virus at 3.4 A resolution reveals particle architecture and mRNA decapping mechanism.
Nat.Struct.Biol., 9, 2002
7RVR
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BU of 7rvr by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI18
Descriptor: 3C-like proteinase, N-[(benzyloxy)carbonyl]-3-methyl-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide
Authors:Yang, K, Liu, W.
Deposit date:2021-08-19
Release date:2022-07-20
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7RW0
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BU of 7rw0 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI27
Descriptor: 3C-like proteinase, N-{[(3-chlorophenyl)methoxy]carbonyl}-L-valyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide
Authors:Yang, K, Liu, W.
Deposit date:2021-08-19
Release date:2022-07-20
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7RVM
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BU of 7rvm by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI11
Descriptor: 3C-like proteinase, N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide
Authors:Yang, K, Liu, W.
Deposit date:2021-08-19
Release date:2022-07-20
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
9GF8
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BU of 9gf8 by Molmil
Human Monocarboxylate Transporter 8
Descriptor: ALFA-tag binding nanobody, Monocarboxylate transporter 8
Authors:Coscia, F, Tassinari, M.
Deposit date:2024-08-08
Release date:2025-05-21
Last modified:2025-06-11
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Molecular mechanism of thyroxine transport by monocarboxylate transporters.
Nat Commun, 16, 2025
1MDL
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BU of 1mdl by Molmil
MANDELATE RACEMASE MUTANT K166R CO-CRYSTALLIZED WITH (R)-MANDELATE
Descriptor: (R)-MANDELIC ACID, (S)-MANDELIC ACID, MAGNESIUM ION, ...
Authors:Clifton, J.G, Petsko, G.A.
Deposit date:1996-03-29
Release date:1996-10-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Mechanism of the reaction catalyzed by mandelate racemase: structure and mechanistic properties of the K166R mutant.
Biochemistry, 34, 1995
1M30
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BU of 1m30 by Molmil
Solution structure of N-terminal SH3 domain from oncogene protein c-Crk
Descriptor: Proto-oncogene C-crk
Authors:Schumann, F.H, Varadan, R, Tayakuniyil, P.P, Hall, J.B, Camarero, J.A, Fushman, D.
Deposit date:2002-06-26
Release date:2003-08-05
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Changing protein backbone topology: Structural and dynamic consequences of the backbone cyclization in SH3 domain
To be Published
7RVW
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BU of 7rvw by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI23
Descriptor: 3C-like proteinase, benzyl (1-{[(2S)-3-cyclohexyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamoyl}cyclopropyl)carbamate
Authors:Yang, K, Liu, W.
Deposit date:2021-08-19
Release date:2022-07-20
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
9GS3
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BU of 9gs3 by Molmil
Cryo-EM structure of human SLC35B1-E33A variant with ADP in inward facing conformation
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Maltodextrin-binding protein, SLC35B1-E33A inward facing conformation
Authors:Gulati, A, Ahn, D, Suades, A, Drew, D.
Deposit date:2024-09-13
Release date:2025-05-21
Last modified:2025-08-20
Method:ELECTRON MICROSCOPY (3.15 Å)
Cite:Stepwise ATP translocation into the endoplasmic reticulum by human SLC35B1.
Nature, 643, 2025
1M3C
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BU of 1m3c by Molmil
Solution structure of a circular form of the N-terminal SH3 domain (E132C, E133G, R191G mutant) from oncogene protein c-Crk
Descriptor: Proto-oncogene C-crk
Authors:Schumann, F.H, Varadan, R, Tayakuniyil, P.P, Hall, J.B, Camarero, J.A, Fushman, D.
Deposit date:2002-06-27
Release date:2003-08-05
Last modified:2024-11-06
Method:SOLUTION NMR
Cite:Changing protein backbone topology: Structural and dynamic consequences of the backbone cyclization in SH3 domain
To be Published
2OUL
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BU of 2oul by Molmil
The Structure of Chagasin in Complex with a Cysteine Protease Clarifies the Binding Mode and Evolution of a New Inhibitor Family
Descriptor: Chagasin, Falcipain 2
Authors:Wang, S.X, Chand, K, Huang, R, Whisstock, J, Jacobelli, J, Fletterick, R.J, Rosenthal, P.J, McKerrow, J.H.
Deposit date:2007-02-11
Release date:2008-02-26
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The structure of chagasin in complex with a cysteine protease clarifies the binding mode and evolution of an inhibitor family.
Structure, 15, 2007
9GRY
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BU of 9gry by Molmil
Cryo-EM structure of human SLC35B1-Q113F variant with AMP-PNP
Descriptor: Maltodextrin-binding protein, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, human SLC35B1-Q113F
Authors:Gulati, A, Ahn, D, Suades, A, Drew, D.
Deposit date:2024-09-13
Release date:2025-05-21
Last modified:2025-08-20
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Stepwise ATP translocation into the endoplasmic reticulum by human SLC35B1.
Nature, 643, 2025
1M3U
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BU of 1m3u by Molmil
Crystal Structure of Ketopantoate Hydroxymethyltransferase complexed the Product Ketopantoate
Descriptor: 3-methyl-2-oxobutanoate hydroxymethyltransferase, KETOPANTOATE, MAGNESIUM ION
Authors:von Delft, F, Inoue, T, Saldanha, S.A, Ottenhof, H.H, Dhanaraj, V, Witty, M, Abell, C, Smith, A.G, Blundell, T.L.
Deposit date:2002-06-30
Release date:2003-07-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of E. coli Ketopantoate Hydroxymethyl Transferase Complexed with Ketopantoate and Mg(2+), Solved by Locating 160 Selenomethionine Sites.
Structure, 11, 2003
5EYG
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BU of 5eyg by Molmil
Crystal structure of IMPase/NADP phosphatase complexed with NADP and Ca2+
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Bhattacharyya, S, Dutta, D, Ghosh, A.K, Das, A.K.
Deposit date:2015-11-25
Release date:2015-12-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural elucidation of the NADP(H) phosphatase activity of staphylococcal dual-specific IMPase/NADP(H) phosphatase
Acta Crystallogr D Struct Biol, 72, 2016

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