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4E0C
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BU of 4e0c by Molmil
1.8 Angstrom Resolution Crystal Structure of Transaldolase from Francisella tularensis (phosphate-free)
Descriptor: ACETATE ION, MAGNESIUM ION, Transaldolase
Authors:Light, S.H, Minasov, G, Halavaty, A.S, Shuvalova, L, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-03-02
Release date:2012-03-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Adherence to Burgi-Dunitz stereochemical principles requires significant structural rearrangements in Schiff-base formation: insights from transaldolase complexes.
Acta Crystallogr.,Sect.D, 70, 2014
4E1L
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BU of 4e1l by Molmil
Crystal structure of Acetoacetyl-CoA thiolase (thlA2) from Clostridium difficile
Descriptor: Acetoacetyl-CoA thiolase 2, IODIDE ION
Authors:Anderson, S.M, Wawrzak, Z, Kudritska, M, Peterson, S.N, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-03-06
Release date:2012-03-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:

4DFU
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Inhibition of an antibiotic resistance enzyme: crystal structure of aminoglycoside phosphotransferase APH(2")-ID/APH(2")-IVA in complex with kanamycin inhibited with quercetin
Descriptor: 3,5,7,3',4'-PENTAHYDROXYFLAVONE, APH(2")-Id, CHLORIDE ION, ...
Authors:Stogios, P.J, Minasov, G, Dong, A, Evdokimova, E, Egorova, E, Di Leo, R, Li, H, Shakya, T, Wright, G.D, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-01-24
Release date:2012-02-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:A small molecule discrimination map of the antibiotic resistance kinome.
Chem.Biol., 18, 2011
4DGT
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BU of 4dgt by Molmil
Crystal structure of PLP-bound putative aminotransferase from Clostridium difficile 630 crystallized with magnesium formate
Descriptor: CHLORIDE ION, MAGNESIUM ION, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Shabalin, I.G, Onopriyenko, O, Kudritska, M, Chruszcz, M, Grimshaw, S, Porebski, P.J, Cooper, D.R, Savchenko, A, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-01-26
Release date:2012-02-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structures of putative aminotransferase from Clostridium difficile 630
to be published
6U4X
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BU of 6u4x by Molmil
Crystal structure of Equine Serum Albumin complex with ibuprofen
Descriptor: IBUPROFEN, SULFATE ION, Serum albumin, ...
Authors:Czub, M.P, Handing, K.B, Venkataramany, B.S, Steen, E.H, Shabalin, I.G, Satchell, K.J, Joachimiak, A, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-08-26
Release date:2019-09-04
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Albumin-Based Transport of Nonsteroidal Anti-Inflammatory Drugs in Mammalian Blood Plasma.
J.Med.Chem., 63, 2020
6V4N
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BU of 6v4n by Molmil
Structure of human 1G05 Fab in complex with influenza virus neuraminidase from B/Phuket/3073/2013
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody Fab heavy chain, Antibody Fab light chain, ...
Authors:Dai, Y.N, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-11-28
Release date:2020-10-07
Last modified:2020-10-28
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Human Antibodies Targeting Influenza B Virus Neuraminidase Active Site Are Broadly Protective.
Immunity, 53, 2020
6V82
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Crystal structure of tryptophan synthase from Chlamydia trachomatis D/UW-3/CX
Descriptor: SULFATE ION, Tryptophan synthase alpha chain, Tryptophan synthase beta chain, ...
Authors:Michalska, K, Maltseva, N, Jedrzejczak, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-12-10
Release date:2020-12-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.424 Å)
Cite:Catalytically impaired TrpA subunit of tryptophan synthase from Chlamydia trachomatis is an allosteric regulator of TrpB.
Protein Sci., 30, 2021
6V4W
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BU of 6v4w by Molmil
The crystal structure of a beta-lactamase from Chitinophaga pinensis DSM 2588
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, Beta-lactamase, ...
Authors:Tan, K, Welk, L, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-12-02
Release date:2019-12-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:The crystal structure of a beta-lactamase from Chitinophaga pinensis DSM 2588
To Be Published
6W6Y
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BU of 6w6y by Molmil
Crystal Structure of ADP ribose phosphatase of NSP3 from SARS CoV-2 in complex with AMP
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADENOSINE MONOPHOSPHATE, Non-structural protein 3
Authors:Michalska, K, Kim, Y, Jedrzejczak, R, Maltseva, N, Endres, M, Mesecar, A, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-03-18
Release date:2020-03-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.451 Å)
Cite:Crystal structures of SARS-CoV-2 ADP-ribose phosphatase: from the apo form to ligand complexes.
Iucrj, 7, 2020
6VWW
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BU of 6vww by Molmil
Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2.
Descriptor: ACETIC ACID, CHLORIDE ION, GLYCEROL, ...
Authors:Kim, Y, Jedrzejczak, R, Maltseva, N, Endres, M, Godzik, A, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-02-20
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of Nsp15 endoribonuclease NendoU from SARS-CoV-2.
Protein Sci., 29, 2020
6W01
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BU of 6w01 by Molmil
The 1.9 A Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with a Citrate
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Kim, Y, Jedrzejczak, R, Maltseva, N, Endres, M, Godzik, A, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-02-28
Release date:2020-03-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of Nsp15 endoribonuclease NendoU from SARS-CoV-2.
Protein Sci., 29, 2020
6W1W
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BU of 6w1w by Molmil
Crystal Structure of Motility Associated Killing Factor B from Vibrio cholerae
Descriptor: 1,2-ETHANEDIOL, motility-associated killing factor MakB
Authors:Kim, Y, Welk, L, Jedrzejczak, R, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-03-04
Release date:2020-03-25
Last modified:2022-07-13
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:A Genomic Island of Vibrio cholerae Encodes a Three-Component Cytotoxin with Monomer and Protomer Forms Structurally Similar to Alpha-Pore-Forming Toxins.
J.Bacteriol., 204, 2022
6W79
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BU of 6w79 by Molmil
Structure of SARS-CoV main protease bound to potent broad-spectrum non-covalent inhibitor X77
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, Main protease, ...
Authors:Mesecar, A.D, StJohn, S, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-03-18
Release date:2020-08-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:A taxonomically-driven approach to development of potent, broad-spectrum inhibitors of coronavirus main protease including SARS-CoV-2 (COVID-19)
To Be Published
6W02
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BU of 6w02 by Molmil
Crystal Structure of ADP ribose phosphatase of NSP3 from SARS CoV-2 in the complex with ADP ribose
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5-DIPHOSPHORIBOSE, Non-structural protein 3
Authors:Michalska, K, Kim, Y, Jedrzejczak, R, Maltseva, N, Endres, M, Mesecar, A, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-02-28
Release date:2020-03-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structures of SARS-CoV-2 ADP-ribose phosphatase: from the apo form to ligand complexes.
Iucrj, 7, 2020
4FEV
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BU of 4fev by Molmil
Crystal structure of the aminoglycoside phosphotransferase APH(3')-Ia, with substrate kanamycin and small molecule inhibitor pyrazolopyrimidine PP1
Descriptor: 1-TER-BUTYL-3-P-TOLYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE, ACETATE ION, Aminoglycoside 3'-phosphotransferase AphA1-IAB, ...
Authors:Stogios, P.J, Evdokimova, E, Wawrzak, Z, Minasov, G, Egorova, O, Di Leo, R, Shakya, T, Spanogiannopoulos, P, Wright, G.D, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-05-30
Release date:2012-06-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structure-guided optimization of protein kinase inhibitors reverses aminoglycoside antibiotic resistance.
Biochem.J., 454, 2013
4F78
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BU of 4f78 by Molmil
Crystal Structure of Vancomycin Resistance D,D-dipeptidase VanXYg
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, D,D-dipeptidase/D,D-carboxypeptidase, ...
Authors:Stogios, P.J, Wawrzak, Z, Evdokimova, E, Minasov, G, Egorova, O, Di Leo, R, Kudritska, M, Yim, V, Meziane-Cherif, D, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-05-15
Release date:2012-05-23
Last modified:2014-05-14
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural basis for the evolution of vancomycin resistance D,D-peptidases.
Proc.Natl.Acad.Sci.USA, 111, 2014
4FEY
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BU of 4fey by Molmil
An X-ray Structure of a Putative Phosphogylcerate Kinase with Bound ADP from Francisella tularensis subsp. tularensis SCHU S4
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Phosphoglycerate kinase
Authors:Brunzelle, J.S, Wawrzak, Z, Skarina, T, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-05-30
Release date:2012-06-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:An X-ray Structure of a Putative Phosphogylcerate Kinase with Bound ADP from Francisella tularensis subsp. tularensis SCHU S4
To be Published
4FEU
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BU of 4feu by Molmil
Crystal structure of the aminoglycoside phosphotransferase APH(3')-Ia, with substrate kanamycin and small molecule inhibitor anthrapyrazolone SP600125
Descriptor: 2,6-DIHYDROANTHRA/1,9-CD/PYRAZOL-6-ONE, ACETATE ION, Aminoglycoside 3'-phosphotransferase AphA1-IAB, ...
Authors:Stogios, P.J, Evdokimova, E, Wawrzak, Z, Minasov, G, Egorova, O, Di Leo, R, Shakya, T, Spanogiannopoulos, P, Wright, G.D, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-05-30
Release date:2012-06-20
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structure-guided optimization of protein kinase inhibitors reverses aminoglycoside antibiotic resistance.
Biochem.J., 454, 2013
4FFY
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BU of 4ffy by Molmil
Crystal structure of DENV1-E111 single chain variable fragment bound to DENV-1 DIII, strain 16007.
Descriptor: CHLORIDE ION, DENV1-E111 single chain variable fragment (heavy chain), DENV1-E111 single chain variable fragment (light chain), ...
Authors:Austin, S.K, Nelson, C.A, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-06-01
Release date:2012-06-20
Last modified:2012-10-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Basis of Differential Neutralization of DENV-1 Genotypes by an Antibody that Recognizes a Cryptic Epitope.
Plos Pathog., 8, 2012
4FFZ
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BU of 4ffz by Molmil
Crystal Structure of DENV1-E111 fab fragment bound to DENV-1 DIII (Western Pacific-74 strain).
Descriptor: DENV1-E111 fab fragment (heavy chain), DENV1-E111 fab fragment (light chain), Envelope protein E
Authors:Austin, S.K, Nelson, C.A, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-06-01
Release date:2012-06-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Structural Basis of Differential Neutralization of DENV-1 Genotypes by an Antibody that Recognizes a Cryptic Epitope.
Plos Pathog., 8, 2012
4FEX
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BU of 4fex by Molmil
Crystal structure of the aminoglycoside phosphotransferase APH(3')-Ia, with substrate kanamycin and small molecule inhibitor tyrphostin AG1478
Descriptor: ACETATE ION, Aminoglycoside 3'-phosphotransferase AphA1-IAB, KANAMYCIN A, ...
Authors:Stogios, P.J, Evdokimova, E, Wawrzak, Z, Minasov, G, Egorova, O, Di Leo, R, Shakya, T, Spanogiannopoulos, P, Wright, G.D, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-05-30
Release date:2012-06-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structure-guided optimization of protein kinase inhibitors reverses aminoglycoside antibiotic resistance.
Biochem.J., 454, 2013
4FEW
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BU of 4few by Molmil
Crystal structure of the aminoglycoside phosphotransferase APH(3')-Ia, with substrate kanamycin and small molecule inhibitor pyrazolopyrimidine PP2
Descriptor: 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE, ACETATE ION, Aminoglycoside 3'-phosphotransferase AphA1-IAB, ...
Authors:Stogios, P.J, Evdokimova, E, Wawrzak, Z, Minasov, G, Egorova, O, Di Leo, R, Shakya, T, Spanogiannopoulos, P, Wright, G.D, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-05-30
Release date:2012-06-20
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structure-guided optimization of protein kinase inhibitors reverses aminoglycoside antibiotic resistance.
Biochem.J., 454, 2013
4MHD
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BU of 4mhd by Molmil
Crystal structure of spermidine N-acetyltransferase from Vibrio cholerae in complex with spermidine
Descriptor: SPERMIDINE, Spermidine n1-acetyltransferase
Authors:Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Kuhn, M.L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2013-08-29
Release date:2013-09-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:A Novel Polyamine Allosteric Site of SpeG from Vibrio cholerae Is Revealed by Its Dodecameric Structure.
J.Mol.Biol., 427, 2015
4MH6
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BU of 4mh6 by Molmil
2.8 Angstrom Crystal Structure of Type III Secretion Protein YscO from Vibrio parahaemolyticus
Descriptor: PHOSPHATE ION, Putative type III secretion protein YscO
Authors:Minasov, G, Wawrzak, Z, Shuvalova, L, Winsor, J, Dubrovska, I, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2013-08-29
Release date:2013-09-11
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:2.8 Angstrom Crystal Structure of Type III Secretion Protein YscO from Vibrio parahaemolyticus.
TO BE PUBLISHED
4MI4
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BU of 4mi4 by Molmil
Crystal structure of spermidine N-acetyltransferase from Vibrio cholerae in complex with spermine
Descriptor: SPERMINE, Spermidine n1-acetyltransferase
Authors:Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Kuhn, M.L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2013-08-30
Release date:2013-10-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.848 Å)
Cite:A Novel Polyamine Allosteric Site of SpeG from Vibrio cholerae Is Revealed by Its Dodecameric Structure.
J.Mol.Biol., 427, 2015

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