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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:2023-11-15
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
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
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Crystal Structure of SARS-Unique Domain (SUD) of Nsp3 from SARS coronavirus
To Be Published
7ULT
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BU of 7ult by Molmil
Crystal Structure of SARS-CoV-2 Nsp16/10 Heterodimer Apo-Form.
Descriptor: 2'-O-methyltransferase, FORMIC ACID, Non-structural protein 10, ...
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)
Deposit date:2022-04-05
Release date:2022-04-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of SARS-CoV-2 Nsp16/10 Heterodimer Apo-Form.
To Be Published
6PFN
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BU of 6pfn by Molmil
Succinyl-CoA synthase from Francisella tularensis
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, COENZYME A, ...
Authors:Osipiuk, J, Maltseva, N, Jedrzejczak, R, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-06-21
Release date:2019-07-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Succinyl-CoA synthase from Francisella tularensis
to be published
6PO4
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BU of 6po4 by Molmil
2.1 Angstrom Resolution Crystal Structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (mtnN) from Haemophilus influenzae PittII.
Descriptor: 2-AMINO-4-MERCAPTO-BUTYRIC ACID, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, ADENINE, ...
Authors:Minasov, G, Shuvalova, L, Cardona-Correa, A, Dubrovska, I, Grimshaw, S, Kwon, K, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-07-03
Release date:2019-07-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:2.1 Angstrom Resolution Crystal Structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (mtnN) from Haemophilus influenzae PittII.
To Be Published
6PNV
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BU of 6pnv by Molmil
1.42 Angstrom Resolution Crystal Structure of Translocation Protein TolB from Salmonella enterica
Descriptor: POTASSIUM ION, SODIUM ION, Tol-Pal system protein TolB
Authors:Minasov, G, Shuvalova, L, Dubrovska, I, Kiryukhina, O, Endres, M, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-07-03
Release date:2019-07-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:1.42 Angstrom Resolution Crystal Structure of Translocation Protein TolB from Salmonella enterica
To Be Published
8ER5
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BU of 8er5 by Molmil
Crystal Structure of NlpC/P60 domain from Clostridium innocuum NlpC/P60 domain-containing protein CI_01448.
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, NlpC/P60 domain-containing protein, ...
Authors:Minasov, G, Shuvalova, L, Dubrovska, I, Wiersum, G, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2022-10-11
Release date:2023-10-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Crystal Structure of NlpC/P60 domain from Clostridium innocuum NlpC/P60 domain-containing protein CI_01448.
To Be Published
8F8O
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BU of 8f8o by Molmil
Crystal Structure of the Succinyl-diaminopimelate Desuccinylase (DapE) from Acinetobacter baumannii in complex with Succinic and L-Lactic Acids
Descriptor: (2S)-2-HYDROXYPROPANOIC ACID, CITRIC ACID, SUCCINIC ACID, ...
Authors:Minasov, G, Shuvalova, L, Brunzelle, J.S, Dubrovska, I, Pshenychnyi, S, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID), Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2022-11-22
Release date:2022-11-30
Last modified:2023-02-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of the Succinyl-diaminopimelate Desuccinylase (DapE) from Acinetobacter baumannii in complex with Succinic and L-Lactic Acids
To Be Published
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
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:2023-10-25
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
8G28
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BU of 8g28 by Molmil
Crystal Structure of the C-terminal Fragment of AAA ATPase from Streptococcus pneumoniae.
Descriptor: ATPase, AAA family, CHLORIDE ION
Authors:Minasov, G, Shuvalova, L, Brunzelle, J.S, Kiryukhina, O, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID), Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2023-02-03
Release date:2023-02-15
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal Structure of the C-terminal Fragment of AAA ATPase from Streptococcus pneumoniae.
To Be Published
8G1Y
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BU of 8g1y by Molmil
Crystal Structure of the Threonine Synthase from Streptococcus pneumoniae in complex with Pyridoxal 5-phosphate.
Descriptor: CHLORIDE ION, D-MALATE, GLYCEROL, ...
Authors:Minasov, G, Shuvalova, L, Kiryukhina, O, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID), Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2023-02-03
Release date:2023-02-15
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Crystal Structure of the Threonine Synthase from Streptococcus pneumoniae in complex with Pyridoxal 5-phosphate.
To Be Published
8G22
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BU of 8g22 by Molmil
Crystal Structure of the dTDP-4-dehydrorhamnose Reductase from Streptococcus pneumoniae.
Descriptor: dTDP-4-dehydrorhamnose reductase
Authors:Minasov, G, Shuvalova, L, Brunzelle, J.S, Kiryukhina, O, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID), Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2023-02-03
Release date:2023-02-22
Method:X-RAY DIFFRACTION (1 Å)
Cite:Crystal Structure of the dTDP-4-dehydrorhamnose Reductase from Streptococcus pneumoniae.
To Be Published
7JZ0
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BU of 7jz0 by Molmil
Crystal Structure of SARS-CoV-2 Nsp16/10 Heterodimer in Complex with (m7GpppA2m)pUpUpApApA (Cap-1) and S-Adenosyl-L-homocysteine (SAH).
Descriptor: 2'-O-methyltransferase, CHLORIDE ION, FORMIC ACID, ...
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)
Deposit date:2020-09-01
Release date:2020-09-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure of SARS-CoV-2 2'-O-methyltransferase heterodimer with RNA Cap analog and sulfates bound reveals new strategies for structure-based inhibitor design
Biorxiv, 2020
6OV8
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BU of 6ov8 by Molmil
2.6 Angstrom Resolution Crystal Structure of Aminopeptidase B from Escherichia coli str. K-12 substr. MG1655
Descriptor: CHLORIDE ION, MANGANESE (II) ION, Peptidase B, ...
Authors:Minasov, G, Shuvalova, L, Wawrzak, Z, Kiryukhina, O, Grimshaw, S, Kwon, K, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-05-07
Release date:2019-05-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Comparison of metal-bound and unbound structures of aminopeptidase B proteins from Escherichia coli and Yersinia pestis.
Protein Sci., 29, 2020
6OAD
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BU of 6oad by Molmil
2.05 Angstrom Resolution Crystal Structure of Aminopeptidase B from Escherichia coli str. K-12 substr. MG1655.
Descriptor: 1,2-ETHANEDIOL, BICARBONATE ION, CALCIUM ION, ...
Authors:Minasov, G, Shuvalova, L, Wawrzak, Z, Kiryukhina, O, Grimshaw, S, Kwon, K, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-03-15
Release date:2019-03-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Comparison of metal-bound and unbound structures of aminopeptidase B proteins from Escherichia coli and Yersinia pestis.
Protein Sci., 29, 2020
6U7L
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BU of 6u7l by Molmil
2.75 Angstrom Crystal Structure of Galactarate Dehydratase from Escherichia coli.
Descriptor: CALCIUM ION, CHLORIDE ION, Galactarate dehydratase (L-threo-forming)
Authors:Minasov, G, Shuvalova, L, Wawrzak, Z, Dubrovska, I, Kiryukhina, O, Endres, M, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-09-03
Release date:2019-11-06
Last modified:2021-01-27
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structure of galactarate dehydratase, a new fold in an enolase involved in bacterial fitness after antibiotic treatment.
Protein Sci., 29, 2020
6UE2
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BU of 6ue2 by Molmil
1.85 Angstrom Resolution Crystal Structure of Class D beta-lactamase from Clostridium difficile 630
Descriptor: Beta-lactamase, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Minasov, G, Shuvalova, L, Dubrovska, I, Rosas-Lemus, M, Jedrzejczak, R, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-09-20
Release date:2019-12-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:1.85 Angstrom Resolution Crystal Structure of Class D beta-lactamase from Clostridium difficile 630.
To Be Published
6UOF
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BU of 6uof by Molmil
1.2 Angstrom Resolution Crystal Structure of CBS Domains of Transcriptional Regulator from Streptococcus pneumoniae
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, SODIUM ION, ...
Authors:Minasov, G, Shuvalova, L, Dubrovska, I, Kiryukhina, O, Endres, M, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-10-14
Release date:2019-11-06
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:1.2 Angstrom Resolution Crystal Structure of CBS Domains of Transcriptional Regulator from Streptococcus pneumoniae
To Be Published
6VBB
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BU of 6vbb by Molmil
2.60 Angstrom Resolution Crystal Structure of Peptidase S41 from Acinetobacter baumannii
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Peptidase S41, ...
Authors:Minasov, G, Wawrzak, Z, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-12-18
Release date:2019-12-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:2.60 Angstrom Resolution Crystal Structure of Peptidase S41 from Acinetobacter baumannii
To Be Published
6VBF
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BU of 6vbf by Molmil
1.85 Angstrom Resolution Crystal Structure of N-terminal Domain of Two-component System Response Regulator from Acinetobacter baumannii
Descriptor: CALCIUM ION, CHLORIDE ION, Two-component regulatory system response regulator
Authors:Minasov, G, Shuvalova, L, Kiryukhina, O, Wiersum, G, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-12-18
Release date:2019-12-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:1.85 Angstrom Resolution Crystal Structure of N-terminal Domain of Two-component System Response Regulator from Acinetobacter baumannii
To Be Published
6VJ6
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BU of 6vj6 by Molmil
2.55 Angstrom Resolution Crystal Structure of Peptidylprolyl Isomerase (PrsA) from Bacillus cereus
Descriptor: 3,6,9,12,15-pentaoxaoctadecan-17-amine, GLYCEROL, Peptidylprolyl isomerase (PrsA)
Authors:Minasov, G, Shuvalova, L, Dubrovska, I, Kiryukhina, O, Wiersum, G, Endres, M, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-01-14
Release date:2020-02-05
Method:X-RAY DIFFRACTION (2.553 Å)
Cite:2.55 Angstrom Resolution Crystal Structure of Peptidylprolyl Isomerase (PrsA) from Bacillus cereus
To Be Published
6VJ2
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BU of 6vj2 by Molmil
3.10 Angstrom Resolution Crystal Structure of Foldase Protein (PrsA) from Lactococcus lactis
Descriptor: Foldase
Authors:Minasov, G, Shuvalova, L, Kiryukhina, O, Endres, M, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-01-14
Release date:2020-02-05
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:3.10 Angstrom Resolution Crystal Structure of Foldase Protein (PrsA) from Lactococcus lactis
To Be Published
6AWA
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BU of 6awa by Molmil
1.83 Angstrom Resolution Crystal Structure of Dihydrolipoyl Dehydrogenase from Pseudomonas putida in Complex with FAD and Adenosine-5'-monophosphate.
Descriptor: ADENOSINE MONOPHOSPHATE, Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Grimshaw, S, Kwon, K, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2017-09-05
Release date:2017-10-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:1.83 Angstrom Resolution Crystal Structure of Dihydrolipoyl Dehydrogenase from Pseudomonas putida in Complex with FAD and Adenosine-5'-monophosphate.
To Be Published
6AZI
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BU of 6azi by Molmil
1.75 Angstrom Resolution Crystal Structure of D-alanyl-D-alanine Endopeptidase from Enterobacter cloacae in Complex with Covalently Bound Boronic Acid
Descriptor: BORATE ION, D-alanyl-D-alanine endopeptidase
Authors:Minasov, G, Wawrzak, Z, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Grimshaw, S, Kwon, K, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2017-09-11
Release date:2017-10-04
Last modified:2023-05-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:1.75 Angstrom Resolution Crystal Structure of D-alanyl-D-alanine Endopeptidase from Enterobacter cloacae in Complex with Covalently Bound Boronic Acid.
To be Published

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PDB entries from 2024-03-27

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