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9P0P
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BU of 9p0p by Molmil
Crystal structure of 23S rRNA methyltransferase Cfr, apoenzyme
Descriptor: Ribosomal RNA large subunit methyltransferase Cfr
Authors:Stogios, P.J, Skarina, T, Kim, Y, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID)
Deposit date:2025-06-07
Release date:2025-07-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of 23S rRNA methyltransferase Cfr, apoenzyme
To Be Published
9AVI
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BU of 9avi by Molmil
TolQ inner membrane protein from Acinetobacter baumannii
Descriptor: Tol-Pal system protein TolQ
Authors:Quade, B, Otwinowski, Z, Borek, D, Center for Structural Biology of Infectious Diseases (CSBID)
Deposit date:2024-03-03
Release date:2025-01-22
Last modified:2025-04-16
Method:ELECTRON MICROSCOPY (3.02 Å)
Cite:Structural architecture of TolQ-TolR inner membrane protein complex from opportunistic pathogen Acinetobacter baumannii.
Sci Adv, 11, 2025
8VLC
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BU of 8vlc by Molmil
Crystal structure of Zn-dependent hydrolase from Salmonella typhimurium LT2
Descriptor: 1,2-ETHANEDIOL, HARLDQ motif MBL-fold protein, SULFATE ION
Authors:Chang, C, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Biology of Infectious Diseases, Center for Structural Biology of Infectious Diseases (CSBID)
Deposit date:2024-01-11
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of Zn-dependent hydrolase from Salmonella typhimurium LT2
To Be Published
8T28
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BU of 8t28 by Molmil
The crystal structure of SrtC2 sortase from Actinomyces oris
Descriptor: CHLORIDE ION, Class C sortase, PHOSPHATE ION
Authors:Osipiuk, J, Chang, C, Ton-That, H.L, Ton-That, H, Joachimiak, A, Center for Structural Biology of Infectious Diseases (CSBID)
Deposit date:2023-06-05
Release date:2024-04-17
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular basis for dual functions in pilus assembly modulated by the lid of a pilus-specific sortase.
J.Biol.Chem., 300, 2024
8TTP
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BU of 8ttp by Molmil
Crystal structure of class C beta-lactamase from Escherichia coli in complex with avibactam
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, Beta-lactamase, ...
Authors:Chang, C, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Biology of Infectious Diseases (CSBID)
Deposit date:2023-08-14
Release date:2023-09-06
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Crystal structure of class C beta-lactamase from Escherichia coli in complex with avibactam
to be published
8UFL
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BU of 8ufl by Molmil
Crystal Structure of SARS-Unique Domain (SUD) of Nsp3 from SARS coronavirus
Descriptor: CHLORIDE ION, Papain-like protease nsp3, SULFATE ION
Authors:Minasov, G, Shuvalova, L, Rosas-Lemus, M, Kiryukhina, O, Brunzelle, J.S, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID)
Deposit date:2023-10-04
Release date:2023-10-18
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Crystal Structure of SARS-Unique Domain (SUD) of Nsp3 from SARS coronavirus
To Be Published
8UFM
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BU of 8ufm by Molmil
Crystal Structure of L516C/Y647C Mutant of SARS-Unique Domain (SUD) from SARS-CoV-2
Descriptor: ACETATE ION, FORMIC ACID, Papain-like protease nsp3, ...
Authors:Minasov, G, Shuvalova, L, Brunzelle, J.S, Rosas-Lemus, M, Kiryukhina, O, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID)
Deposit date:2023-10-04
Release date:2023-10-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal Structure of L516C/Y647C Mutant of SARS-Unique Domain (SUD) from SARS-CoV-2
To Be Published
7UUJ
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BU of 7uuj by Molmil
Crystal structure of aminoglycoside resistance enzyme ApmA, complex with gentamicin
Descriptor: (2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-2-HYDR OXYCYCLOHEXYLOXY)-5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-2H-PYRAN-3,5-DIOL, 1,2-ETHANEDIOL, Aminocyclitol acetyltransferase ApmA, ...
Authors:Stogios, P.J, Evdokimova, E, Osipiuk, J, Di Leo, R, Bordeleau, E, Wright, G.D, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID)
Deposit date:2022-04-28
Release date:2023-04-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Crystal structure of aminoglycoside resistance enzyme ApmA, complex with gentamicin
To Be Published
7UUK
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BU of 7uuk by Molmil
Crystal structure of aminoglycoside resistance enzyme ApmA, complex with tobramycin
Descriptor: Aminocyclitol acetyltransferase ApmA, CHLORIDE ION, TOBRAMYCIN
Authors:Stogios, P.J, Evdokimova, E, Di Leo, R, Bordeleau, E, Wright, G.D, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID)
Deposit date:2022-04-28
Release date:2023-04-19
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Mechanistic plasticity in ApmA enables aminoglycoside promiscuity for resistance.
Nat.Chem.Biol., 20, 2024
9MTO
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BU of 9mto by Molmil
Crystal structure of acetyltransferase CBU0801 from Coxiella burnetii
Descriptor: COENZYME A, [Ribosomal protein bS18]-alanine N-acetyltransferase
Authors:Stogios, P.J, Evdokimova, E, Chang, C, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID)
Deposit date:2025-01-11
Release date:2025-01-22
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Crystal structure of acetyltransferase CBU0801 from Coxiella burnetii
To Be Published
9OZ0
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BU of 9oz0 by Molmil
Crystal structure of T6SS effector-immunity complex PA3907-PA3908 from Pseudomonas aeruginosa
Descriptor: CITRIC ACID, Immunity protein 52 domain-containing protein, MAGNESIUM ION, ...
Authors:Stogios, P.J, Borek, D, Skarina, T, Osipiuk, J, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID)
Deposit date:2025-06-04
Release date:2025-06-18
Method:X-RAY DIFFRACTION (2.871 Å)
Cite:Crystal structure of T6SS effector-immunity complex PA3907-PA3908 from Pseudomonas aeruginosa
To Be Published
8UND
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BU of 8und by Molmil
X-ray Structure of SARS-CoV-2 main protease covalently bound to inhibitor GRL-190-21 at 1.90 A.
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, ORF1a polyprotein
Authors:Mesecar, A.D, Lendy, E.K, Ghosh, A.K, Center for Structural Biology of Infectious Diseases (CSBID)
Deposit date:2023-10-18
Release date:2024-10-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-ray Structure of SARS-CoV-2 main protease covalently bound to inhibitor GRL-190-21 at 1.90 A.
To Be Published
8UW6
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BU of 8uw6 by Molmil
Acetylornithine deacetylase from Escherichia coli, di-zinc form.
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Acetylornithine deacetylase, ...
Authors:Osipiuk, J, Endres, M, Kelley, E, Becker, D.P, Joachimiak, A, Center for Structural Biology of Infectious Diseases (CSBID)
Deposit date:2023-11-06
Release date:2024-05-29
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:N alpha-acetyl-L-ornithine deacetylase from Escherichia coli and a ninhydrin-based assay to enable inhibitor identification.
Front Chem, 12, 2024
8VDX
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BU of 8vdx by Molmil
Crystal structure of bacterial extracellular solute-binding protein from Bordetella bronchiseptica RB50
Descriptor: ACETATE ION, GLYCEROL, TETRAETHYLENE GLYCOL, ...
Authors:Chang, C, Tesar, C, Endres, M, Joachimiak, A, Center for Structural Biology of Infectious Diseases (CSBID)
Deposit date:2023-12-18
Release date:2024-12-18
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of bacterial extracellular solute-binding protein from Bordetella bronchiseptica RB50
To Be Published
8VS5
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BU of 8vs5 by Molmil
Structure of catalytic domain of telomere resolvase, ResT, from Borrelia garinii
Descriptor: Telomere resolvase ResT
Authors:Semper, C, Savchenko, A, Watanabe, N, Center for Structural Biology of Infectious Diseases (CSBID)
Deposit date:2024-01-23
Release date:2024-07-17
Last modified:2024-08-28
Method:X-RAY DIFFRACTION (2.796 Å)
Cite:Structure analysis of the telomere resolvase from the Lyme disease spirochete Borrelia garinii reveals functional divergence of its C-terminal domain.
Nucleic Acids Res., 52, 2024
8VJ1
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BU of 8vj1 by Molmil
Structure of C-terminal domain of telomere resolvase, ResT, from Borrelia garinii
Descriptor: Telomere resolvase ResT
Authors:Semper, C, Savchenko, A, Watanabe, N, Center for Structural Biology of Infectious Diseases (CSBID)
Deposit date:2024-01-05
Release date:2024-07-17
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structure analysis of the telomere resolvase from the Lyme disease spirochete Borrelia garinii reveals functional divergence of its C-terminal domain.
Nucleic Acids Res., 52, 2024
8VLW
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BU of 8vlw by Molmil
TolQ-TolR inner membrane protein complex from Acinetobacter baumannii
Descriptor: Tol-Pal system protein TolQ, Tol-Pal system protein TolR
Authors:Guo, Y, Borek, D, Center for Structural Biology of Infectious Diseases (CSBID)
Deposit date:2024-01-12
Release date:2025-01-15
Last modified:2025-01-22
Method:ELECTRON MICROSCOPY (3.34 Å)
Cite:Structural architecture of TolQ-TolR inner membrane protein complex from opportunistic pathogen Acinetobacter baumannii.
Biorxiv, 2024
8F4Y
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BU of 8f4y by Molmil
Crystal Structure of SARS-CoV-2 2'-O-Methyltransferase in Complex with Compound 5a covalently bound to nsp16 and nsp10
Descriptor: 2'-O-methyltransferase, 4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-(trifluoromethyl)pyrimidin-2-ol, 4-[2-(2,4-dichlorophenyl)ethyl]-6-(trifluoromethyl)pyrimidin-2-ol, ...
Authors:Minasov, G, Shuvalova, L, Brunzelle, J.S, Rosas-Lemus, M, Kiryukhina, O, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID)
Deposit date:2022-11-11
Release date:2023-10-18
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Discovery of a Druggable, Cryptic Pocket in SARS-CoV-2 nsp16 Using Allosteric Inhibitors.
Acs Infect Dis., 9, 2023
8F4S
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BU of 8f4s by Molmil
Crystal Structure of the SARS-CoV-2 2'-O-Methyltransferase with Compound 5a bound to the Cryptic Pocket of nsp16
Descriptor: 2'-O-methyltransferase, 4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-(trifluoromethyl)pyrimidin-2-ol, FORMIC ACID, ...
Authors:Minasov, G, Shuvalova, L, Brunzelle, J.S, Rosas-Lemus, M, Kiryukhina, O, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID)
Deposit date:2022-11-11
Release date:2023-10-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Discovery of a Druggable, Cryptic Pocket in SARS-CoV-2 nsp16 Using Allosteric Inhibitors.
Acs Infect Dis., 9, 2023
7SWW
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BU of 7sww by Molmil
SARS-CoV-2 Spike NTD in complex with neutralizing Fab SARS2-57 (local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SARS2-57 Fv heavy chain, ...
Authors:Adams, L.J, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID)
Deposit date:2021-11-21
Release date:2022-11-23
Last modified:2025-05-14
Method:ELECTRON MICROSCOPY (3.13 Å)
Cite:A protective antibody targeting the N-terminal domain of SARS-CoV-2 spike recognizes most emerging variants
To Be Published
7SUA
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BU of 7sua by Molmil
Crystal Structure of the Hypothetical Protein (ACX60_00475) from Acinetobacter baumannii
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DUF4175 domain-containing protein
Authors:Minasov, G, Shuvalova, L, Dubrovska, I, Kiryukhina, O, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID)
Deposit date:2021-11-16
Release date:2022-11-30
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal Structure of the Hypothetical Protein (ACX60_00475) from Acinetobacter baumannii
To be Published
7SWX
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BU of 7swx by Molmil
SARS-CoV-2 Spike in complex with neutralizing Fab SARS2-57 (three down conformation)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SARS2-57 Fv heavy chain, ...
Authors:Adams, L.J, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID)
Deposit date:2021-11-21
Release date:2022-11-23
Last modified:2025-05-28
Method:ELECTRON MICROSCOPY (3.13 Å)
Cite:A protective antibody targeting the N-terminal domain of SARS-CoV-2 spike recognizes most emerging variants
To Be Published
8EP7
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BU of 8ep7 by Molmil
Crystal Structure of the Ketol-acid Reductoisomerase from Bacillus anthracis in complex with NADP
Descriptor: ACETIC ACID, Ketol-acid reductoisomerase (NADP(+)) 2, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Kim, Y, Maltseva, N, Osipiuk, J, Gu, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID)
Deposit date:2022-10-05
Release date:2022-10-19
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of the Ketol-acid Reductoisomerase from Bacillus anthracis in the complex with NADP.
To Be Published
8EP6
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BU of 8ep6 by Molmil
Crystal Structure of the Beta-lactamase Class D from Chitinophaga pinensis in complex with Avibactam
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, ACETIC ACID, Beta-lactamase Class D Cpin_0907
Authors:Maltseva, N, Kim, Y, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID)
Deposit date:2022-10-05
Release date:2022-10-19
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structure of the Beta-lactamase Class D from Chitinophaga pinensis in the complex with Avibactam.
To Be Published
8EW4
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BU of 8ew4 by Molmil
Human Serum Albumin with Cobalt (II) and Myristic Acid - crystal 1
Descriptor: COBALT (II) ION, MYRISTIC ACID, Serum albumin
Authors:Gucwa, M, Cooper, D.R, Unciano, J, Lea, K, Kim, L, Lenkiewicz, J, Starban, I, Stewart, A.J, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID)
Deposit date:2022-10-21
Release date:2022-11-09
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and biochemical characterisation of Co2+-binding sites on serum albumins and their interplay with fatty acids
Chem Sci, 14, 2023

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数据于2025-08-13公开中

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