1RPI
 
 | | Crystal structures of a Multidrug-Resistant HIV-1 Protease Reveal an Expanded Active Site Cavity | | Descriptor: | alpha-D-glucopyranose, protease | | Authors: | Logsdon, B.C, Vickrey, J.F, Martin, P, Proteasa, G, Koepke, J.I, Terlecky, S.R, Wawrzak, Z, Winters, M.A, Merigan, T.C, Kovari, L.C. | | Deposit date: | 2003-12-03 | | Release date: | 2004-12-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Crystal structures of a multidrug-resistant human immunodeficiency virus type 1 protease reveal an expanded active-site cavity.
J.Virol., 78, 2004
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7SNM
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1RQ9
 | | Crystal structures of a Multidrug-Resistant HIV-1 Protease Reveal an Expanded Active Site Cavity | | Descriptor: | [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-1,3-BIS([(3-AMINO)PHENYL]METHYL)-4,7-BIS(PHENYLMETHYL)-2H-1,3-DIAZEPINONE, protease | | Authors: | Logsdon, B.C, Vickrey, J.F, Martin, P, Proteasa, G, Koepke, J.I, Terlecky, S.R, Wawrzak, Z, Winters, M.A, Merigan, T.C, Kovari, L.C. | | Deposit date: | 2003-12-04 | | Release date: | 2004-12-07 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structures of a multidrug-resistant human immunodeficiency virus type 1 protease reveal an expanded active-site cavity.
J.Virol., 78, 2004
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7UWP
 | | Detergent-bound CYP51 from Acanthamoeba castellanii | | Descriptor: | DODECYL-BETA-D-MALTOSIDE, PROTOPORPHYRIN IX CONTAINING FE, sterol 14a-demethylase | | Authors: | Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I. | | Deposit date: | 2022-05-03 | | Release date: | 2023-04-12 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Identification of Potent and Selective Inhibitors of Acanthamoeba: Structural Insights into Sterol 14-Demethylase as a Key Drug Target
J.Med.Chem., 2024
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1TP5
 | | Crystal structure of PDZ3 domain of PSD-95 protein complexed with a peptide ligand KKETWV | | Descriptor: | LYS-LYS-GLU-THR-TRP-VAL peptide ligand, Presynaptic density protein 95 | | Authors: | Saro, D, Wawrzak, Z, Martin, P, Vickrey, J, Paredes, A, Kovari, L, Spaller, M. | | Deposit date: | 2004-06-15 | | Release date: | 2005-09-20 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Structure of the third PDZ domain of PSD-95 protein complexed with KKETWV peptide ligand
To be Published
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1LLF
 | | Cholesterol Esterase (Candida Cylindracea) Crystal Structure at 1.4A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lipase 3, TRICOSANOIC ACID | | Authors: | Pletnev, V, Addlagatta, A, Wawrzak, Z, Duax, W. | | Deposit date: | 2002-04-28 | | Release date: | 2003-01-07 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Three-dimensional structure of homodimeric cholesterol esterase-ligand complex at 1.4 A resolution.
Acta Crystallogr.,Sect.D, 59, 2003
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1VRO
 | | Selenium-Assisted Nucleic Acid Crystallography: Use of Phosphoroselenoates for MAD Phasing of a DNA Structure | | Descriptor: | 5'-D(*CP*(GMS)P*CP*GP*CP*G)-3', MAGNESIUM ION, SPERMINE | | Authors: | Wilds, C.J, Pattanayek, R, Pan, C, Wawrzak, Z, Egli, M. | | Deposit date: | 2005-04-14 | | Release date: | 2005-04-19 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Selenium-Assisted Nucleic Acid Crystallography: Use of Phosphoroselenoates for MAD Phasing of a DNA Structure
J.Am.Chem.Soc., 124, 2002
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5CRF
 | | Structure of the penicillin-binding protein PonA1 from Mycobacterium Tuberculosis | | Descriptor: | PHOSPHATE ION, Penicillin-binding protein 1A | | Authors: | Filippova, E.V, Wawrzak, Z, Kiryukhina, O, Kieser, K, Endres, M, Rubin, E, Sacchettini, J, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | | Deposit date: | 2015-07-22 | | Release date: | 2016-05-04 | | Last modified: | 2016-07-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structures of the transpeptidase domain of the Mycobacterium tuberculosis penicillin-binding protein PonA1 reveal potential mechanisms of antibiotic resistance.
Febs J., 283, 2016
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5D6A
 | | 2.7 Angstrom Crystal Structure of ABC transporter ATPase from Vibrio vulnificus in Complex with Adenylyl-imidodiphosphate (AMP-PNP) | | Descriptor: | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Predicted ATPase of the ABC class, SODIUM ION | | Authors: | Minasov, G, Wawrzak, Z, Shuvalova, L, Dubrovska, I, Flores, K, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2015-08-11 | | Release date: | 2015-08-26 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | 2.7 Angstrom Crystal Structure of ABC transporter ATPase from Vibrio vulnificus in Complex with Adenylyl-imidodiphosphate (AMP-PNP)
To Be Published
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5DZS
 | | 1.5 Angstrom Crystal Structure of Shikimate Dehydrogenase 1 from Peptoclostridium difficile. | | Descriptor: | SULFATE ION, Shikimate dehydrogenase (NADP(+)) | | Authors: | Minasov, G, Wawrzak, Z, Shuvalova, L, Dubrovska, I, Flores, K, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2015-09-26 | | Release date: | 2015-10-07 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | 1.5 Angstrom Crystal Structure of Shikimate Dehydrogenase 1 from Peptoclostridium difficile.
To Be Published
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5WOL
 | | Crystal structure of dihydrodipicolinate reductase DapB from Coxiella burnetii | | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, 4-hydroxy-tetrahydrodipicolinate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Stogios, P.J, Wawrzak, Z, Onopriyenko, O, Grimshaw, S, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2017-08-02 | | Release date: | 2017-08-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of dihydrodipicolinate reductase DapB from Coxiella burnetii
To Be Published
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6VBB
 | | 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
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5IQJ
 | | 1.9 Angstrom Crystal Structure of Protein with Unknown Function from Vibrio cholerae. | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Minasov, G, Wawrzak, Z, Stogios, P.J, Skarina, T, Seed, K.D, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-03-10 | | Release date: | 2016-03-23 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 1.9 Angstrom Crystal Structure of Protein with Unknown Function from Vibrio cholerae.
To Be Published
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7L33
 | | X-ray Structure of a Cu-Bound De Novo Designed Peptide Trimer | | Descriptor: | COPPER (II) ION, Cu-3SCC | | Authors: | Chakraborty, S, Wawrzak, Z, Prasad, P, Mitra, S, Prakash, D. | | Deposit date: | 2020-12-17 | | Release date: | 2021-08-11 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | De Novo Design of a Self-Assembled Artificial Copper Peptide that Activates and Reduces Peroxide
Acs Catalysis, 11, 2021
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5JOQ
 | | Crystal Structure of an ABC Transporter Substrate-Binding Protein from Listeria monocytogenes EGD-e | | Descriptor: | CHLORIDE ION, CITRIC ACID, Lmo2184 protein | | Authors: | Brunzelle, J.S, Wawrzak, Z, Kudritska, M, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-05-02 | | Release date: | 2016-07-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Crystal Structure of an ABC Transporter Substrate-Binding Protein from Listeria monocytogenes EGD-e
To Be Published
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7L75
 | | Crystal Structure of Peptidylprolyl Isomerase PrsA from Streptococcus mutans. | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, Foldase protein PrsA | | Authors: | Minasov, G, Shuvalova, L, Kiryukhina, O, Wawrzak, Z, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-12-25 | | Release date: | 2021-12-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Crystal Structure of Peptidylprolyl Isomerase PrsA from Streptococcus mutans.
To Be Published
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5KKO
 | | A 1.55A X-Ray Structure from Vibrio cholerae O1 biovar El Tor of a Hypothetical Protein | | Descriptor: | Uncharacterised protein | | Authors: | Brunzelle, J.S, Wawrzak, Z, Skarina, T, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-06-22 | | Release date: | 2016-09-21 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | A 1.55A X-Ray Structure from Vibrio cholerae O1 biovar El Tor of a Hypothetical Protein
To Be Published
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5I0C
 | | Crystal structure of predicted acyltransferase YjdJ with acyl-CoA N-acyltransferase domain from Escherichia coli str. K-12 | | Descriptor: | CADMIUM ION, NICKEL (II) ION, PHOSPHATE ION, ... | | Authors: | Filippova, E.V, Minasov, G, Wawrzak, Z, Shuvalova, L, Dubrovska, I, Winsor, J, Grimshaw, S, Wolfe, A.J, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-02-03 | | Release date: | 2016-02-24 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Crystal structure of predicted acyltransferase YjdJ with acyl-CoA N-acyltransferase domain from Escherichia coli str. K-12
To Be Published
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5KVR
 | | X-Ray Crystal Structure of a Fragment (1-75) of a Transcriptional Regulator PdhR from Escherichia coli CFT073 | | Descriptor: | Pyruvate dehydrogenase complex repressor | | Authors: | Brunzelle, J.S, Wawrzak, Z, Sandoval, J, Skarina, T, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-07-15 | | Release date: | 2016-11-02 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | X-Ray Crystal Structure of a Fragment (1-75) of a Transcriptional Regulator PdhR from Escherichia coli CFT073
To Be Published
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7LJT
 | | Porcine Dihydropyrimidine Dehydrogenase (DPD) soaked with 5-Ethynyluracil (5EU), NADPH - 20 minutes | | Descriptor: | 5-ethynylpyrimidine-2,4(1H,3H)-dione, Dihydropyrimidine dehydrogenase [NADP(+)], FLAVIN MONONUCLEOTIDE, ... | | Authors: | Butrin, A, Forouzesh, D, Beaupre, B, Wawrzak, Z, Liu, D, Moran, G. | | Deposit date: | 2021-01-30 | | Release date: | 2021-04-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | The Interaction of Porcine Dihydropyrimidine Dehydrogenase with the Chemotherapy Sensitizer: 5-Ethynyluracil.
Biochemistry, 60, 2021
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7LJU
 | | Porcine Dihydropyrimidine Dehydrogenase (DPD) crosslinked with 5-Ethynyluracil (5EU) | | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, 5-ethynylpyrimidine-2,4(1H,3H)-dione, Dihydropyrimidine dehydrogenase [NADP(+)], ... | | Authors: | Butrin, A, Forouzesh, D, Beaupre, B, Wawrzak, Z, Liu, D, Moran, G. | | Deposit date: | 2021-01-30 | | Release date: | 2021-04-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | The Interaction of Porcine Dihydropyrimidine Dehydrogenase with the Chemotherapy Sensitizer: 5-Ethynyluracil.
Biochemistry, 60, 2021
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7LJS
 | | Porcine Dihydropyrimidine dehydrogenase (DPD) complexed with 5-Ethynyluracil (5EU) - Open Form | | Descriptor: | 5-ethynylpyrimidine-2,4(1H,3H)-dione, Dihydropyrimidine dehydrogenase [NADP(+)], FLAVIN MONONUCLEOTIDE, ... | | Authors: | Butrin, A, Forouzesh, D, Beaupre, B, Wawrzak, Z, Liu, D, Moran, G. | | Deposit date: | 2021-01-30 | | Release date: | 2021-04-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Interaction of Porcine Dihydropyrimidine Dehydrogenase with the Chemotherapy Sensitizer: 5-Ethynyluracil.
Biochemistry, 60, 2021
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4W8K
 | | Crystal structure of a putative Cas1 enzyme from Vibrio phage ICP1 | | Descriptor: | Cas1 protein, POTASSIUM ION | | Authors: | Stogios, P.J, Wawrzak, Z, Onopriyeno, O, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2014-08-25 | | Release date: | 2014-09-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | To be published
To Be Published
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1I0F
 | | 1.6 A STRUCTURE OF THE A-DECAMER GCGTATACGC WITH A SINGLE 2'-O-AMINOOXYETHYL THYMINE IN PLACE OF T6, BA-FORM | | Descriptor: | 5'-D(*GP*CP*GP*TP*AP*(127)P*AP*CP*GP*C)-3', BARIUM ION | | Authors: | Tereshko, V, Wilds, C.J, Minasov, G, Prakash, T.P, Maier, M.A, Howard, A, Wawrzak, Z, Manoharan, M, Egli, M. | | Deposit date: | 2001-01-29 | | Release date: | 2001-04-04 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Detection of alkali metal ions in DNA crystals using state-of-the-art X-ray diffraction experiments.
Nucleic Acids Res., 29, 2001
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1I0G
 | | 1.45 A STRUCTURE OF THE A-DECAMER GCGTATACGC WITH A SINGLE 2'-O-FLUOROETHYL THYMINE IN PLACE OF T6, MEDIUM NA-SALT | | Descriptor: | 5'-D(*GP*CP*GP*TP*AP*(125)P*AP*CP*GP*C)-3', SODIUM ION | | Authors: | Tereshko, V, Wilds, C.J, Minasov, G, Prakash, T.P, Maier, M.A, Howard, A, Wawrzak, Z, Manoharan, M, Egli, M. | | Deposit date: | 2001-01-29 | | Release date: | 2001-04-04 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Detection of alkali metal ions in DNA crystals using state-of-the-art X-ray diffraction experiments.
Nucleic Acids Res., 29, 2001
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