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5CCF
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BU of 5ccf by Molmil
Structure of Mouse ADP-Dependent Glucokinase
Descriptor: ADP-dependent glucokinase
Authors:Richter, J.P, Ronimus, R.S, Sutherland-Smith, A.J.
Deposit date:2015-07-02
Release date:2015-11-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Structural and Functional Characterization of Mammalian ADP-dependent Glucokinase.
J.Biol.Chem., 291, 2016
8RVC
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BU of 8rvc by Molmil
Crystal structure of alpha keto acid C-methyl-transferases MrsA bound to ketoarginine
Descriptor: 1,2-ETHANEDIOL, 2-ketoarginine methyltransferase, 5-[(diaminomethylidene)amino]-2-oxopentanoic acid, ...
Authors:Gerhardt, S, Kemper, F, Andexer, J.N.
Deposit date:2024-02-01
Release date:2024-07-03
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.969 Å)
Cite:Structures and Protein Engineering of the alpha-Keto Acid C-Methyltransferases SgvM and MrsA for Rational Substrate Transfer.
Chembiochem, 25, 2024
7YY0
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BU of 7yy0 by Molmil
Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with 4'-phosphopantetheine
Descriptor: 4'-PHOSPHOPANTETHEINE, Phosphopantetheine adenylyltransferase
Authors:Thomas, S.E, Coyne, A.G, Blundell, T.L.
Deposit date:2022-02-17
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.745 Å)
Cite:Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design.
Front Mol Biosci, 9, 2022
7PFG
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BU of 7pfg by Molmil
2 minute Fe2+ soaked structure of SynFtn Variant E141A
Descriptor: CHLORIDE ION, FE (III) ION, Ferritin, ...
Authors:Hemmings, A.M, Bradley, J.M.
Deposit date:2021-08-11
Release date:2021-12-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Key carboxylate residues for iron transit through the prokaryotic ferritin Syn Ftn.
Microbiology (Reading, Engl.), 167, 2021
7N89
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BU of 7n89 by Molmil
Room-temperature X-ray structure of SARS-CoV-2 main protease C145A mutant in complex with substrate Ac-SAVLQSGF-CONH2
Descriptor: 3C-like proteinase, ACE-SER-ALA-VAL-LEU-GLN-SER-GLY-PHE-NH2
Authors:Kovalevsky, A, Kneller, D.W, Coates, L.
Deposit date:2021-06-14
Release date:2021-06-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Michaelis-like complex of SARS-CoV-2 main protease visualized by room-temperature X-ray crystallography.
Iucrj, 8, 2021
8V3N
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BU of 8v3n by Molmil
CCP5 in complex with Glu-P-Glu transition state analog
Descriptor: (2S)-2-{[(S)-[(3S)-3-acetamido-4-(ethylamino)-4-oxobutyl](hydroxy)phosphoryl]methyl}pentanedioic acid, Cytosolic carboxypeptidase-like protein 5, D-MALATE, ...
Authors:Chen, J, Zehr, E.A, Gruschus, J.M, Szyk, A, Liu, Y, Tanner, M.E, Tjandra, N, Roll-Mecak, A.
Deposit date:2023-11-28
Release date:2024-07-17
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Tubulin code eraser CCP5 binds branch glutamates by substrate deformation.
Nature, 631, 2024
7Z70
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BU of 7z70 by Molmil
Crystal structure of Angiotensin-1 converting enzyme C-domain in complex with fosinoprilat
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Cozier, G.E, Acharya, K.R.
Deposit date:2022-03-14
Release date:2022-06-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural basis for the inhibition of human angiotensin-1 converting enzyme by fosinoprilat.
Febs J., 289, 2022
6MTV
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BU of 6mtv by Molmil
Crystal structure of human Scribble PDZ1:MCC complex
Descriptor: Colorectal mutant cancer protein, DI(HYDROXYETHYL)ETHER, Protein scribble homolog, ...
Authors:Caria, S, Stewart, B.Z, Humbert, P.O, Kvansakul, M.
Deposit date:2018-10-22
Release date:2019-08-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.597 Å)
Cite:Structural analysis of phosphorylation-associated interactions of human MCC with Scribble PDZ domains.
Febs J., 286, 2019
7PF7
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BU of 7pf7 by Molmil
Apo structure of SynFtn variant D65A
Descriptor: CHLORIDE ION, Ferritin, SODIUM ION
Authors:Hemmings, A.M, Bradley, J.M.
Deposit date:2021-08-11
Release date:2021-12-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Key carboxylate residues for iron transit through the prokaryotic ferritin Syn Ftn.
Microbiology (Reading, Engl.), 167, 2021
5CDC
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BU of 5cdc by Molmil
Crystal Structure of Israel acute Paralysis Virus
Descriptor: VP1, Structural polyprotein, VP2, ...
Authors:Mullapudi, E, Plevka, P.
Deposit date:2015-07-03
Release date:2016-07-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (4 Å)
Cite:Virion Structure of Iflavirus Slow Bee Paralysis Virus at 2.6-Angstrom Resolution.
J.Virol., 90, 2016
8UAT
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BU of 8uat by Molmil
Thermus scotoductus SA-01 Ene-reductase Compound 3b Complex
Descriptor: 1-[2-(4-hydroxyphenyl)ethyl]-1,4-dihydropyridine-3-carboxamide, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ...
Authors:Wilson, L.A, Guddat, L.W, Schenk, G, Scott, C.
Deposit date:2023-09-22
Release date:2024-07-03
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Structural Characterization of Enzymatic Interactions with Functional Nicotinamide Cofactor Biomimetics
Catalysts, 14, 2024
7YY5
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BU of 7yy5 by Molmil
Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with Fragment 9
Descriptor: 2-naphthalen-2-ylethanoic acid, Phosphopantetheine adenylyltransferase
Authors:Thomas, S.E, Coyne, A.G, Blundell, T.L.
Deposit date:2022-02-17
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.499 Å)
Cite:Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design.
Front Mol Biosci, 9, 2022
5CDL
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BU of 5cdl by Molmil
Proline dipeptidase from Deinococcus radiodurans (selenomethionine derivative)
Descriptor: MANGANESE (II) ION, PHOSPHATE ION, Proline dipeptidase
Authors:Kumar, A, Are, V, Ghosh, B, Jamdar, S, Makde, R.
Deposit date:2015-07-04
Release date:2016-08-10
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Proline dipeptidase from Deinococcus radiodurans (selenomethionine derivative)
To Be Published
7VNS
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BU of 7vns by Molmil
Sandercyanin mutant E79A-Biliverdin complex
Descriptor: BILIVERDINE IX ALPHA, Sandercyanin Fluorescent Protein
Authors:Yadav, K, Ghosh, S, Subramanian, R.
Deposit date:2021-10-12
Release date:2022-05-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Phenylalanine stacking enhances the red fluorescence of biliverdin IX alpha on UV excitation in sandercyanin fluorescent protein.
Febs Lett., 596, 2022
8RUN
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BU of 8run by Molmil
Structure of Oceanobacillus iheyensis group II intron in the presence of Li+, Mg2+, and ARN25850
Descriptor: 2-[2,6-bis(bromanyl)-3,4,5-tris(oxidanyl)phenyl]carbonyl-~{N}-(2-pyrrolidin-1-ylethyl)-1-benzofuran-5-carboxamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Domains 1-5, ...
Authors:Silvestri, I, Marcia, M.
Deposit date:2024-01-31
Release date:2024-06-19
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (3.73 Å)
Cite:Targeting the conserved active site of splicing machines with specific and selective small molecule modulators.
Nat Commun, 15, 2024
8V3O
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BU of 8v3o by Molmil
CCP5 in complex with Glu-P-peptide 1 transition state analog
Descriptor: Cytosolic carboxypeptidase-like protein 5, D-MALATE, POTASSIUM ION, ...
Authors:Chen, J, Zehr, E.A, Gruschus, J.M, Szyk, A, Liu, Y, Tanner, M.E, Tjandra, N, Roll-Mecak, A.
Deposit date:2023-11-28
Release date:2024-07-17
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Tubulin code eraser CCP5 binds branch glutamates by substrate deformation.
Nature, 631, 2024
8OFR
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BU of 8ofr by Molmil
Human adenovirus type 25 fiber-knob protein complexed with sialic acid
Descriptor: Fiber, N-acetyl-beta-neuraminic acid
Authors:Rizkallah, P.J, Parker, A.L, Mundy, R.M, Baker, A.T.
Deposit date:2023-03-16
Release date:2023-09-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Broad sialic acid usage amongst species D human adenovirus.
Npj Viruses, 1, 2023
7NLS
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BU of 7nls by Molmil
Crystal structure of Mycobacterium tuberculosis ArgB in complex with methyl 4-hydroxy-3-iodobenzoate
Descriptor: Acetylglutamate kinase, SULFATE ION, methyl 3-iodanyl-4-oxidanyl-benzoate
Authors:Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L.
Deposit date:2021-02-22
Release date:2021-06-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.648 Å)
Cite:A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
8OFQ
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BU of 8ofq by Molmil
Human adenovirus type 25 fiber-knob protein
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Fiber, ...
Authors:Rizkallah, P.J, Parker, A.L, Mundy, R.M, Baker, A.T.
Deposit date:2023-03-16
Release date:2023-09-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Broad sialic acid usage amongst species D human adenovirus.
Npj Viruses, 1, 2023
8R4Z
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BU of 8r4z by Molmil
Crystal structure of alpha keto acid C-methyl-transferases MrsA native-form
Descriptor: 2-ketoarginine methyltransferase, MAGNESIUM ION
Authors:Gerhardt, S, Kemper, F, Andexer, J.N.
Deposit date:2023-11-15
Release date:2024-07-03
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Structures and Protein Engineering of the alpha-Keto Acid C-Methyltransferases SgvM and MrsA for Rational Substrate Transfer.
Chembiochem, 25, 2024
8SC7
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BU of 8sc7 by Molmil
Structure of EGFR in complex with MTX-531
Descriptor: CHLORIDE ION, Epidermal growth factor receptor, GLYCEROL, ...
Authors:Whitehead, C.E, Leopold, J.
Deposit date:2023-04-05
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.984 Å)
Cite:Structure of EGFR in complex with MTX-531
To Be Published
7YY1
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BU of 7yy1 by Molmil
Mycobacterium abscessus Phosphopantetheine adenylyltransferase ternary complex with 4'-phosphopantetheine & non-hydrolyzable ATP analogue (AMPCPP)
Descriptor: 4'-PHOSPHOPANTETHEINE, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, Phosphopantetheine adenylyltransferase
Authors:Thomas, S.E, Coyne, A.G, Blundell, T.L.
Deposit date:2022-02-17
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.697 Å)
Cite:Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design.
Front Mol Biosci, 9, 2022
7NM7
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BU of 7nm7 by Molmil
The crystal structure of the antimycin pathway standalone ketoreductase, AntM
Descriptor: Antimycin pathway standalone ketoreductase enzyme, AntM
Authors:Fazal, A, Hemsworth, G.R, Webb, M.E, Seipke, R.F.
Deposit date:2021-02-23
Release date:2021-06-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A Standalone beta-Ketoreductase Acts Concomitantly with Biosynthesis of the Antimycin Scaffold.
Acs Chem.Biol., 16, 2021
7YY9
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BU of 7yy9 by Molmil
Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with Fragment 13
Descriptor: 2-azanyl-4-chloranyl-benzenecarbonitrile, Phosphopantetheine adenylyltransferase
Authors:Thomas, S.E, Coyne, A.G, Blundell, T.L.
Deposit date:2022-02-17
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.485 Å)
Cite:Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design.
Front Mol Biosci, 9, 2022
8V3M
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BU of 8v3m by Molmil
CCP5 apo structure
Descriptor: Cytosolic carboxypeptidase-like protein 5, D-MALATE, IMIDAZOLE, ...
Authors:Chen, J, Zehr, E.A, Gruschus, J.M, Szyk, A, Liu, Y, Tanner, M.E, Tjandra, N, Roll-Mecak, A.
Deposit date:2023-11-28
Release date:2024-07-17
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Tubulin code eraser CCP5 binds branch glutamates by substrate deformation.
Nature, 631, 2024

226707

數據於2024-10-30公開中

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