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6FNT
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BU of 6fnt by Molmil
Ergothioneine-biosynthetic methyltransferase EgtD in complex with pyrrolidinohistidine
Descriptor: Histidine N-alpha-methyltransferase, Pyrrolidinohistidine
Authors:Vit, A, Blankenfeldt, W, Seebeck, F.P.
Deposit date:2018-02-05
Release date:2018-06-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Inhibition and Regulation of the Ergothioneine Biosynthetic Methyltransferase EgtD.
ACS Chem. Biol., 13, 2018
2DHF
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BU of 2dhf by Molmil
CRYSTAL STRUCTURES OF RECOMBINANT HUMAN DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE AND 5-DEAZOFOLATE
Descriptor: 5-DEAZAFOLIC ACID, DIHYDROFOLATE REDUCTASE
Authors:Davies /II, J.F, Kraut, J.
Deposit date:1989-10-25
Release date:1990-07-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of recombinant human dihydrofolate reductase complexed with folate and 5-deazafolate.
Biochemistry, 29, 1990
7TWD
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BU of 7twd by Molmil
Structure of AAGAB C-terminal dimerization domain
Descriptor: Alpha- and gamma-adaptin-binding protein p34, PHOSPHATE ION
Authors:Tian, Y, Yin, Q.
Deposit date:2022-02-07
Release date:2023-01-18
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Oligomer-to-monomer transition underlies the chaperone function of AAGAB in AP1/AP2 assembly.
Proc.Natl.Acad.Sci.USA, 120, 2023
6FNS
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BU of 6fns by Molmil
Ergothioneine-biosynthetic methyltransferase EgtD in complex with morpholinohistidine
Descriptor: GLYCEROL, Histidine N-alpha-methyltransferase, Morpholinohistidine
Authors:Vit, A, Blankenfeldt, W, Seebeck, F.P.
Deposit date:2018-02-05
Release date:2018-06-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Inhibition and Regulation of the Ergothioneine Biosynthetic Methyltransferase EgtD.
ACS Chem. Biol., 13, 2018
5J3I
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BU of 5j3i by Molmil
NMR solution structure of [Sp, Sp]-PT dsDNA
Descriptor: DNA (5'-D(*CP*GP*(SSG)P*CP*CP*GP*CP*CP*GP*A)-3'), DNA (5'-D(*TP*CP*GP*GP*CP*GP*(SSG)P*CP*CP*G)-3')
Authors:Lan, W, Hu, Z, Cao, C.
Deposit date:2016-03-30
Release date:2016-11-16
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural investigation into physiological DNA phosphorothioate modification
Sci Rep, 6, 2016
5J3G
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BU of 5j3g by Molmil
Solution NMR structure of PT-free dsDNA from Streptomyces lividans
Descriptor: DNA (5'-D(*CP*GP*GP*CP*CP*GP*CP*CP*GP*A)-3'), DNA (5'-D(*TP*CP*GP*GP*CP*GP*GP*CP*CP*G)-3')
Authors:Lan, W, Cao, C.
Deposit date:2016-03-30
Release date:2016-06-22
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural investigation into physiological DNA phosphorothioate modification
Sci Rep, 6, 2016
2BX4
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BU of 2bx4 by Molmil
Crystal Structure of SARS Coronavirus Main Proteinase (P21212)
Descriptor: 3C-like proteinase nsp5
Authors:Verschueren, K.H.G, Mesters, J.R, Bigalke, J, Hilgenfeld, R.
Deposit date:2005-07-22
Release date:2005-09-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Ph-Dependent Conformational Flexibility of the Sars-Cov Main Proteinase (M(Pro)) Dimer: Molecular Dynamics Simulations and Multiple X-Ray Structure Analyses.
J.Mol.Biol., 354, 2005
2BX3
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BU of 2bx3 by Molmil
Crystal Structure of SARS Coronavirus Main Proteinase (P43212)
Descriptor: 3C-like proteinase nsp5
Authors:Verschueren, K.H.G, Mesters, J.R, Hilgenfeld, R.
Deposit date:2005-07-22
Release date:2005-09-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Ph-Dependent Conformational Flexibility of the Sars-Cov Main Proteinase (M(Pro)) Dimer: Molecular Dynamics Simulations and Multiple X-Ray Structure Analyses.
J.Mol.Biol., 354, 2005
7CPW
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BU of 7cpw by Molmil
Complex structure of DNA with self-catalyzed depurination activity
Descriptor: DNA (5'-D(*CP*GP*TP*GP*AP*TP*CP*GP*GP*AP*GP*AP*CP*GP*AP*TP*CP*AP*CP*G)-3'), DNA polymerase beta-like protein
Authors:Gan, J.H.
Deposit date:2020-08-08
Release date:2021-08-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.849 Å)
Cite:Crystallization and Structural Determination of 8-17 DNAzyme.
Methods Mol.Biol., 2439, 2022
5ILA
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BU of 5ila by Molmil
Deg9 protease domain
Descriptor: Protease Do-like 9
Authors:Ouyang, M, Liu, L, Li, X.Y, Zhao, S, Zhang, L.X.
Deposit date:2016-03-04
Release date:2017-03-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.001 Å)
Cite:The crystal structure of Deg9 reveals a novel octameric-type HtrA protease
Nat Plants, 3, 2017
4TJX
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BU of 4tjx by Molmil
Crystal structure of protease-associated domain of Arabidopsis VSR1 in complex with aleurain peptide
Descriptor: Aleurain peptide, Vacuolar-sorting receptor 1
Authors:Luo, F, Fong, Y.H, Jiang, L.W, Wong, K.B.
Deposit date:2014-05-25
Release date:2014-12-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.902 Å)
Cite:How vacuolar sorting receptor proteins interact with their cargo proteins: crystal structures of apo and cargo-bound forms of the protease-associated domain from an Arabidopsis vacuolar sorting receptor.
Plant Cell, 26, 2014
5ILB
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BU of 5ilb by Molmil
Crystal structure of protease domain of Deg2 linked with the PDZ domain of Deg9
Descriptor: Protease Do-like 2, chloroplastic,Protease Do-like 9
Authors:Ouyang, M, Liu, L, Li, X.Y, Zhao, S, Zhang, L.X.
Deposit date:2016-03-04
Release date:2017-03-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.852 Å)
Cite:The crystal structure of Deg9 reveals a novel octameric-type HtrA protease
Nat Plants, 3, 2017
4U3B
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BU of 4u3b by Molmil
LpxC from A.Aaeolicus in complex with the MMP inhibitor 4-[[4-(4-chlorophenoxy)phenyl]sulfanylmethyl]tetrahydropyran-4-carbohydroxamic acid - compound 2
Descriptor: 4-({[4-(4-chlorophenoxy)phenyl]sulfanyl}methyl)-N-hydroxytetrahydro-2H-pyran-4-carboxamide, CHLORIDE ION, IMIDAZOLE, ...
Authors:Olivier, N.B.
Deposit date:2014-07-19
Release date:2014-10-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Synthesis, Structure, and SAR of Tetrahydropyran-Based LpxC Inhibitors.
Acs Med.Chem.Lett., 5, 2014
4U3D
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BU of 4u3d by Molmil
LpxC from A.Aaeolicus in complex with 4-[[4-[2-[4-(morpholinomethyl)phenyl]ethynyl]phenoxy]methyl]tetrahydropyran-4-carbohydroxamic acid (compound 9)
Descriptor: CHLORIDE ION, IMIDAZOLE, N-hydroxy-4-[(4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}phenoxy)methyl]tetrahydro-2H-pyran-4-carboxamide, ...
Authors:Olivier, N.B.
Deposit date:2014-07-19
Release date:2014-10-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Synthesis, Structure, and SAR of Tetrahydropyran-Based LpxC Inhibitors.
Acs Med.Chem.Lett., 5, 2014
5IL9
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BU of 5il9 by Molmil
Crystal structure of Deg9
Descriptor: GLYCEROL, Protease Do-like 9
Authors:Ouyang, M, Liu, L, Li, X.Y, Zhao, S, Zhang, L.X.
Deposit date:2016-03-04
Release date:2017-03-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The crystal structure of Deg9 reveals a novel octameric-type HtrA protease
Nat Plants, 3, 2017
5J3F
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BU of 5j3f by Molmil
NMR solution structure of [Rp, Rp]-PT dsDNA
Descriptor: DNA (5'-D(*CP*GP*(RSG)P*CP*CP*GP*CP*CP*GP*A)-3'), DNA (5'-D(*TP*CP*GP*GP*CP*GP*(RSG)P*CP*CP*G)-3')
Authors:Lan, W, Hu, Z, Cao, C.
Deposit date:2016-03-30
Release date:2016-11-16
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural investigation into physiological DNA phosphorothioate modification
Sci Rep, 6, 2016
4TJV
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BU of 4tjv by Molmil
Crystal structure of protease-associated domain of Arabidopsis vacuolar sorting receptor 1
Descriptor: IODIDE ION, Vacuolar-sorting receptor 1
Authors:Luo, F, Fong, Y.H, Jiang, L.W, Wong, K.B.
Deposit date:2014-05-25
Release date:2014-12-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.651 Å)
Cite:How vacuolar sorting receptor proteins interact with their cargo proteins: crystal structures of apo and cargo-bound forms of the protease-associated domain from an Arabidopsis vacuolar sorting receptor.
Plant Cell, 26, 2014
4MCB
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BU of 4mcb by Molmil
H.influenzae TrmD in complex with N-(4-{[(1H-IMIDAZOL-2-YLMETHYL)AMINO]METHYL}BENZYL)-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDINE-5-CARBOXAMIDE
Descriptor: ACETATE ION, GLYCEROL, N-(4-{[(1H-imidazol-2-ylmethyl)amino]methyl}benzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide, ...
Authors:Olivier, N.B, Hill, P.
Deposit date:2013-08-21
Release date:2013-09-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Selective Inhibitors of Bacterial t-RNA-(N(1)G37) Methyltransferase (TrmD) That Demonstrate Novel Ordering of the Lid Domain.
J.Med.Chem., 56, 2013
6SNJ
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BU of 6snj by Molmil
Solution structure of the FUS/TLS RNA recognition motif in complex with U1 snRNA stem loop III
Descriptor: RNA-binding protein FUS, U1 snRNA stem loop III, RNA (28-MER)
Authors:Campagne, S, Allain, F.H.
Deposit date:2019-08-26
Release date:2020-10-28
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Aberrant interaction of FUS with the U1 snRNA provides a molecular mechanism of FUS induced amyotrophic lateral sclerosis.
Nat Commun, 11, 2020
3ZG0
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BU of 3zg0 by Molmil
Crystal structure of ceftaroline acyl-PBP2a from MRSA with non- covalently bound ceftaroline and muramic acid at allosteric site obtained by cocrystallization
Descriptor: CADMIUM ION, CHLORIDE ION, Ceftaroline, ...
Authors:Otero, L.H, Rojas-Altuve, A, Hermoso, J.A.
Deposit date:2012-12-13
Release date:2013-10-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:How Allosteric Control of Staphylococcus Aureus Penicillin Binding Protein 2A Enables Methicillin Resistance and Physiological Function
Proc.Natl.Acad.Sci.USA, 110, 2013
3ZFZ
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BU of 3zfz by Molmil
Crystal structure of ceftaroline acyl-PBP2a from MRSA with non- covalently bound ceftaroline and muramic acid at allosteric site obtained by soaking
Descriptor: CADMIUM ION, CHLORIDE ION, Ceftaroline, ...
Authors:Otero, L.H, Rojas-Altuve, A, Hermoso, J.A.
Deposit date:2012-12-13
Release date:2013-10-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:How Allosteric Control of Staphylococcus Aureus Penicillin Binding Protein 2A Enables Methicillin Resistance and Physiological Function
Proc.Natl.Acad.Sci.USA, 110, 2013
3ZG5
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BU of 3zg5 by Molmil
Crystal structure of PBP2a from MRSA in complex with peptidoglycan analogue at allosteric
Descriptor: CADMIUM ION, CHLORIDE ION, PEPTIDOGLYCAN ANALOGUE, ...
Authors:Otero, L.H, Rojas-Altuve, A, Hermoso, J.A.
Deposit date:2012-12-14
Release date:2013-10-09
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:How Allosteric Control of Staphylococcus Aureus Penicillin Binding Protein 2A Enables Methicillin Resistance and Physiological Function
Proc.Natl.Acad.Sci.USA, 110, 2013
4G2W
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BU of 4g2w by Molmil
Crystal structure of PDE5A in complex with its inhibitor
Descriptor: 5,6-diethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Ren, J, Chen, T.T, Xu, Y.C.
Deposit date:2012-07-13
Release date:2013-06-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Design, synthesis, and pharmacological evaluation of monocyclic pyrimidinones as novel inhibitors of PDE5.
J.Med.Chem., 55, 2012
4G2Y
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BU of 4g2y by Molmil
Crystal structure of PDE5A complexed with its inhibitor
Descriptor: 2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Ren, J, Chen, T.T, Xu, Y.C.
Deposit date:2012-07-13
Release date:2013-06-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Design, synthesis, and pharmacological evaluation of monocyclic pyrimidinones as novel inhibitors of PDE5.
J.Med.Chem., 55, 2012
1YQ3
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BU of 1yq3 by Molmil
Avian respiratory complex ii with oxaloacetate and ubiquinone
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Coenzyme Q10, (2Z,6E,10Z,14E,18E,22E,26Z)-isomer, ...
Authors:Huang, L, Cobessi, D, Tung, E.Y, Berry, E.A.
Deposit date:2005-02-01
Release date:2005-12-20
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:3-Nitropropionic Acid Is a Suicide Inhibitor of Mitochondrial Respiration That, upon Oxidation by Complex II, Forms a Covalent Adduct with a Catalytic Base Arginine in the Active Site of the Enzyme
J.Biol.Chem., 281, 2006

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PDB entries from 2024-09-18

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