4RPC
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![BU of 4rpc by Molmil](/molmil-images/mine/4rpc) | Crystal structure of the putative alpha/beta hydrolase family protein from Desulfitobacterium hafniense | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, TETRAETHYLENE GLYCOL, putative alpha/beta hydrolase | Authors: | Filippova, E.V, Wawrzak, Z, Minasov, G, Kiryukhina, O, Endres, M, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2014-10-30 | Release date: | 2014-11-12 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of the putative alpha/beta hydrolase family protein from Desulfitobacterium hafniense To be Published
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4RSH
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![BU of 4rsh by Molmil](/molmil-images/mine/4rsh) | Structure of a putative lipolytic protein of G-D-S-L family from Desulfitobacterium hafniense DCB-2 | Descriptor: | CHLORIDE ION, Lipolytic protein G-D-S-L family | Authors: | Filippova, E.V, Wawrzak, Z, Minasov, G, Kiryukhina, O, Endres, M, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2014-11-07 | Release date: | 2014-11-19 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Structure of a putative lipolytic protein of G-D-S-L family from Desulfitobacterium hafniense DCB-2 To be Published
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4UHI
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![BU of 4uhi by Molmil](/molmil-images/mine/4uhi) | HUMAN STEROL 14-ALPHA DEMETHYLASE (CYP51) IN COMPLEX WITH VFV IN C121 SPACE GROUP | Descriptor: | N-[(1R)-1-(3,4'-difluorobiphenyl-4-yl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE | Authors: | Hargrove, T.Y, Wawrzak, Z, I Lepesheva, G. | Deposit date: | 2015-03-24 | Release date: | 2016-06-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Human Sterol 14Alpha-Demethylase (Cyp51) as a Target for Anticancer Chemotherapy: Towards Structure-Aided Drug Design. J.Lipid Res., 57, 2016
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4UHL
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![BU of 4uhl by Molmil](/molmil-images/mine/4uhl) | HUMAN STEROL 14-ALPHA DEMETHYLASE (CYP51) IN COMPLEX WITH VFV IN P1 SPACE GROUP | Descriptor: | N-[(1R)-1-(3,4'-difluorobiphenyl-4-yl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE | Authors: | Hargrove, T.Y, Wawrzak, Z, I Lepesheva, G. | Deposit date: | 2015-03-24 | Release date: | 2016-06-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Human Sterol 14Alpha-Demethylase (Cyp51) as a Target for Anticancer Chemotherapy: Towards Structure-Aided Drug Design. J.Lipid Res., 57, 2016
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8EKT
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![BU of 8ekt by Molmil](/molmil-images/mine/8ekt) | CYP51 from Acanthamoeba castellanii in complex with the tetrazole-based IND inhibitor VT-1161(VT1) | Descriptor: | (R)-2-(2,4-Difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl)pyridin-2-yl)propan-2-ol, PROTOPORPHYRIN IX CONTAINING FE, sterol 14a-demethylase | Authors: | Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I. | Deposit date: | 2022-09-21 | Release date: | 2023-08-02 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Identification of Potent and Selective Inhibitors of Acanthamoeba : Structural Insights into Sterol 14 alpha-Demethylase as a Key Drug Target. J.Med.Chem., 67, 2024
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4Z8Z
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![BU of 4z8z by Molmil](/molmil-images/mine/4z8z) | Crystal structure of the hypothetical protein from Ruminiclostridium thermocellum ATCC 27405 | Descriptor: | Uncharacterized protein | Authors: | Filippova, E.V, Wawrzak, Z, Kiryukhina, O, Endres, M, Joachimiak, J, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2015-04-09 | Release date: | 2015-05-06 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Crystal structure of the hypothetical protein from Ruminiclostridium thermocellum ATCC 27405 To Be Published
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4ZV9
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![BU of 4zv9 by Molmil](/molmil-images/mine/4zv9) | 2.00 Angstrom resolution crystal structure of an uncharacterized protein from Escherichia coli O157:H7 str. Sakai | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, PHOSPHATE ION, ... | Authors: | Halavaty, A.S, Wawrzak, Z, Filippova, E.V, Kiryukhina, O, Endres, M, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2015-05-18 | Release date: | 2015-06-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 2.00 Angstrom resolution crystal structure of an uncharacterized protein from Escherichia coli O157:H7 str. Sakai To Be Published
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3UUW
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![BU of 3uuw by Molmil](/molmil-images/mine/3uuw) | 1.63 Angstrom Resolution Crystal Structure of Dehydrogenase (MviM) from Clostridium difficile. | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Minasov, G, Wawrzak, Z, Kudritska, M, Grimshaw, S, Papazisi, L, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2011-11-28 | Release date: | 2011-12-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | 1.63 Angstrom Resolution Crystal Structure of Dehydrogenase (MviM) from Clostridium difficile. TO BE PUBLISHED
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7TA1
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![BU of 7ta1 by Molmil](/molmil-images/mine/7ta1) | Human Ornithine Aminotransferase (hOAT) soaked with gamma-Aminobutyric acid | Descriptor: | 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]BUTANOIC ACID, Ornithine aminotransferase, mitochondrial, ... | Authors: | Butrin, A, Wawrzak, Z, Liu, D. | Deposit date: | 2021-12-20 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Determination of the pH dependence, substrate specificity, and turnovers of alternative substrates for human ornithine aminotransferase. J.Biol.Chem., 298, 2022
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7SNM
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![BU of 7snm by Molmil](/molmil-images/mine/7snm) | |
3ZG2
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![BU of 3zg2 by Molmil](/molmil-images/mine/3zg2) | Sterol 14 alpha-demethylase (CYP51) from Trypanosoma cruzi in complex with the pyridine inhibitor (S)-2-(4-chlorophenyl)-2-(pyridin-3-yl)-1- (4-(4-(trifluoromethyl)phenyl)piperazin-1-yl)ethanone (EPL-BS1246,UDO) | Descriptor: | (S)-2-(4-chlorophenyl)-2-pyridin-3-yl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE | Authors: | Hargrove, T.Y, Wawrzak, Z, Keenan, M, Chatelain, E, Lepesheva, G.I. | Deposit date: | 2012-12-14 | Release date: | 2013-09-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Complexes of Trypanosoma Cruzi Sterol 14Alpha-Demethylase (Cyp51) with Two Pyridine-Based Drug Candidates for Chagas Disease: Structural Basis for Pathogen-Selectivity J.Biol.Chem., 288, 2013
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3ZG3
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![BU of 3zg3 by Molmil](/molmil-images/mine/3zg3) | STEROL 14-ALPHA DEMETHYLASE (CYP51)FROM TRYPANOSOMA CRUZI IN COMPLEX WITH THE PYRIDINE INHIBITOR N-(1-(5-(trifluoromethyl)(pyridin-2-yl)) piperidin-4yl)-N-(4-(trifluoromethyl)phenyl)pyridin-3-amine (EPL- BS967, UDD) | Descriptor: | N-[4-(trifluoromethyl)phenyl]-N-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]pyridin-3-amine, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE | Authors: | Hargrove, T.Y, Wawrzak, Z, Keenan, M, Chatelain, E, Lepesheva, G.I. | Deposit date: | 2012-12-14 | Release date: | 2013-09-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Complexes of Trypanosoma Cruzi Sterol 14Alpha-Demethylase (Cyp51) with Two Pyridine-Based Drug Candidates for Chagas Disease: Structural Basis for Pathogen-Selectivity J.Biol.Chem., 288, 2013
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3UN6
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![BU of 3un6 by Molmil](/molmil-images/mine/3un6) | 2.0 Angstrom Crystal Structure of Ligand Binding Component of ABC-type Import System from Staphylococcus aureus with Zinc bound | Descriptor: | ABC transporter substrate-binding protein, PHOSPHATE ION, ZINC ION | Authors: | Minasov, G, Wawrzak, Z, Halavaty, A, Shuvalova, L, Dubrovska, I, Winsor, J, Kiryukhina, O, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2011-11-15 | Release date: | 2011-12-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | 2.0 Angstrom Crystal Structure of Ligand Binding Component of ABC-type Import System from Staphylococcus aureus with Zinc bound. TO BE PUBLISHED
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1MA8
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![BU of 1ma8 by Molmil](/molmil-images/mine/1ma8) | A-DNA decamer GCGTA(UMS)ACGC with incorporated 2'-methylseleno-uridine | Descriptor: | 5'-D(*GP*CP*GP*TP*AP*UMSP*AP*CP*GP*C)-3' | Authors: | Teplova, M, Wilds, C.J, Wawrzak, Z, Tereshko, V, Du, Q, Carrasco, N, Huang, Z, Egli, M. | Deposit date: | 2002-08-01 | Release date: | 2002-12-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Covalent incorporation of selenium into oligonucleotides for X-ray crystal structure determination via MAD: proof of principle BIOCHIMIE, 84, 2002
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1LLF
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![BU of 1llf by Molmil](/molmil-images/mine/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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8SBI
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![BU of 8sbi by Molmil](/molmil-images/mine/8sbi) | |
1TP5
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![BU of 1tp5 by Molmil](/molmil-images/mine/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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1TQ3
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![BU of 1tq3 by Molmil](/molmil-images/mine/1tq3) | |
8SQ8
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![BU of 8sq8 by Molmil](/molmil-images/mine/8sq8) | X-ray crystal structure of Acinetobacter baumanii beta-lactamase variant OXA-109 in complex with doripenem | Descriptor: | (4R,5S)-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-4,5-dihydro-1H-pyrrole-2-carboxylic acid, BICARBONATE ION, Beta-lactamase OXA-109 | Authors: | Powers, R.A, Leonard, D.A, June, C.M, Szarecka, A, Wawrzak, Z. | Deposit date: | 2023-05-04 | Release date: | 2024-05-22 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Structural and Dynamic Features of Acinetobacter baumannii OXA-66 beta-Lactamase Explain Its Stability and Evolution of Novel Variants. J.Mol.Biol., 436, 2024
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8SQ7
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![BU of 8sq7 by Molmil](/molmil-images/mine/8sq7) | X-ray crystal structure of Acinetobacter baumanii beta-lactamase variant OXA-82 K83D in complex with doripenem | Descriptor: | (4R,5S)-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase OXA-82, CITRATE ANION, ... | Authors: | Powers, R.A, Leonard, D.A, June, C.M, Szarecka, A, Wawrzak, Z. | Deposit date: | 2023-05-04 | Release date: | 2024-05-22 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structural and Dynamic Features of Acinetobacter baumannii OXA-66 beta-Lactamase Explain Its Stability and Evolution of Novel Variants. J.Mol.Biol., 436, 2024
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1RPI
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![BU of 1rpi by Molmil](/molmil-images/mine/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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1RV7
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![BU of 1rv7 by Molmil](/molmil-images/mine/1rv7) | Crystal structures of a Multidrug-Resistant HIV-1 Protease Reveal an Expanded Active Site Cavity | Descriptor: | N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, 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: | 2003-12-12 | Release date: | 2004-12-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 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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1RQ9
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![BU of 1rq9 by Molmil](/molmil-images/mine/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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1VRO
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![BU of 1vro by Molmil](/molmil-images/mine/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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6UEZ
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![BU of 6uez by Molmil](/molmil-images/mine/6uez) | |