6GLE
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![BU of 6gle by Molmil](/molmil-images/mine/6gle) | Crystal structure of hMTH1 in complex with TH scaffold 1 in the presence of acetate | Descriptor: | 4-phenylpyrimidin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | Authors: | Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A. | Deposit date: | 2018-05-23 | Release date: | 2019-02-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.402 Å) | Cite: | hMTH1 in complex with TH scaffold 1 To Be Published
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6GLK
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6GLR
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![BU of 6glr by Molmil](/molmil-images/mine/6glr) | Crystal structure of hMTH1 N33G in complex with TH scaffold 1 in the presence of acetate | Descriptor: | 4-phenylpyrimidin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, ... | Authors: | Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A. | Deposit date: | 2018-05-23 | Release date: | 2019-02-20 | Method: | X-RAY DIFFRACTION (1.601 Å) | Cite: | hMTH1 N33G in complex with TH scaffold 1 To Be Published
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2WOX
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![BU of 2wox by Molmil](/molmil-images/mine/2wox) | Betaine aldehyde dehydrogenase from Pseudomonas aeruginosa with NAD(P) H-catalytic thiol adduct. | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, BETA-MERCAPTOETHANOL, BETAINE ALDEHYDE DEHYDROGENASE, ... | Authors: | Gonzalez-Segura, L, Rudino-Pinera, E, Diaz-Sanchez, A.G, Munoz-Clares, R.A. | Deposit date: | 2009-07-30 | Release date: | 2010-08-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Novel NADPH-cysteine covalent adduct found in the active site of an aldehyde dehydrogenase. Biochem. J., 439, 2011
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7XEX
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![BU of 7xex by Molmil](/molmil-images/mine/7xex) | Crystal strucutre of apoCasDinG | Descriptor: | CasDinG | Authors: | Zhang, J.T, Cui, N, Liu, Y.R, Huang, H.D, Jia, N. | Deposit date: | 2022-03-31 | Release date: | 2023-07-26 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Type IV-A CRISPR-Csf complex: Assembly, dsDNA targeting, and CasDinG recruitment. Mol.Cell, 83, 2023
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4NHY
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![BU of 4nhy by Molmil](/molmil-images/mine/4nhy) | Crystal structure of human OGFOD1, 2-oxoglutarate and iron-dependent oxygenase domain containing 1, in complex with pyridine-2,4-dicarboxylic acid (2,4-PDCA) | Descriptor: | 2-oxoglutarate and iron-dependent oxygenase domain-containing protein 1, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Horita, S, McDonough, M.A, Schofield, C.J. | Deposit date: | 2013-11-05 | Release date: | 2014-11-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.603 Å) | Cite: | Structure of the Ribosomal Oxygenase OGFOD1 Provides Insights into the Regio- and Stereoselectivity of Prolyl Hydroxylases. Structure, 23, 2015
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2GUY
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![BU of 2guy by Molmil](/molmil-images/mine/2guy) | |
6CIQ
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3L0O
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![BU of 3l0o by Molmil](/molmil-images/mine/3l0o) | Structure of RNA-free Rho transcription termination factor from Thermotoga maritima | Descriptor: | SODIUM ION, SULFATE ION, Transcription termination factor rho, ... | Authors: | Canals, A, Uson, I, Coll, M. | Deposit date: | 2009-12-10 | Release date: | 2010-05-26 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | The Structure of RNA-Free Rho Termination Factor Indicates a Dynamic Mechanism of Transcript Capture J.Mol.Biol., 400, 2010
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7XF0
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![BU of 7xf0 by Molmil](/molmil-images/mine/7xf0) | Crystal strucutre of CasDinG in complex with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CasDinG | Authors: | Zhang, J.T, Cui, N, Liu, Y.R, Huang, H.D, Jia, N. | Deposit date: | 2022-03-31 | Release date: | 2023-07-26 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Type IV-A CRISPR-Csf complex: Assembly, dsDNA targeting, and CasDinG recruitment. Mol.Cell, 83, 2023
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2WXT
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![BU of 2wxt by Molmil](/molmil-images/mine/2wxt) | Clostridium perfringens alpha-toxin strain NCTC8237 | Descriptor: | CADMIUM ION, CALCIUM ION, PHOSPHOLIPASE C, ... | Authors: | Justin, N, Naylor, C.E, Basak, A.K. | Deposit date: | 2009-11-10 | Release date: | 2009-11-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Comparison of a Nontoxic Variant of Clostridium Perfringens [Alpha]-Toxin with the Toxic Wild-Type Strain Acta Crystallogr.,Sect.D, 66, 2010
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7XF1
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![BU of 7xf1 by Molmil](/molmil-images/mine/7xf1) | Crystal strucutre of apoCasDinG in complex with ssDNA | Descriptor: | CasDinG, DNA (5'-D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3') | Authors: | Zhang, J.T, Cui, N, Liu, Y.R, Huang, H.D, Jia, N. | Deposit date: | 2022-03-31 | Release date: | 2023-07-26 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Type IV-A CRISPR-Csf complex: Assembly, dsDNA targeting, and CasDinG recruitment. Mol.Cell, 83, 2023
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3DYM
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![BU of 3dym by Molmil](/molmil-images/mine/3dym) | E. coli (lacZ) beta-galactosidase (H418E) | Descriptor: | Beta-galactosidase, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | Authors: | Juers, D.H, Huber, R.E, Matthews, B.W. | Deposit date: | 2008-07-28 | Release date: | 2008-10-28 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Direct and indirect roles of His-418 in metal binding and in the activity of beta-galactosidase (E. coli). Protein Sci., 18, 2009
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6CJG
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![BU of 6cjg by Molmil](/molmil-images/mine/6cjg) | Human dihydroorotate dehydrogenase bound to napthyridine inhibitor 46 | Descriptor: | 2-([1,1'-biphenyl]-4-yl)-3-methyl-1,7-naphthyridine-4-carboxylic acid, 3-[decyl(dimethyl)ammonio]propane-1-sulfonate, Dihydroorotate dehydrogenase (quinone), ... | Authors: | Petrunak, E.M, Stuckey, J.A. | Deposit date: | 2018-02-26 | Release date: | 2018-05-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.851 Å) | Cite: | Design, Synthesis, and Biological Evaluation of 4-Quinoline Carboxylic Acids as Inhibitors of Dihydroorotate Dehydrogenase. J. Med. Chem., 61, 2018
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6GOI
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![BU of 6goi by Molmil](/molmil-images/mine/6goi) | X-ray structure of the adduct formed upon reaction of lysozyme with a Pd(II) complex bearing N,N-pyridylbenzimidazole derivative with an alkylated triphenylphosphonium cation | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, Lysozyme C, ... | Authors: | Merlino, A, Ferraro, G. | Deposit date: | 2018-06-01 | Release date: | 2018-07-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Exploring the interactions between model proteins and Pd(ii) or Pt(ii) compounds bearing charged N,N-pyridylbenzimidazole bidentate ligands by X-ray crystallography. Dalton Trans, 47, 2018
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5Y0V
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![BU of 5y0v by Molmil](/molmil-images/mine/5y0v) | Crystal Structure of insect beta-N-acetyl-D-hexosaminidase OfHex1 complexed with berberine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BERBERINE, ... | Authors: | Duan, Y.W, Liu, T, Tang, J.Y, Li, M, Yang, Q. | Deposit date: | 2017-07-18 | Release date: | 2018-01-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.423 Å) | Cite: | Glycoside hydrolase family 18 and 20 enzymes are novel targets of the traditional medicine berberine. J. Biol. Chem., 293, 2018
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5Y5F
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![BU of 5y5f by Molmil](/molmil-images/mine/5y5f) | Structure of cytochrome P450nor in NO-bound state: damaged by low-dose (0.72 MGy) X-ray | Descriptor: | GLYCEROL, NADP nitrous oxide-forming nitric oxide reductase, NITRIC OXIDE, ... | Authors: | Tosha, T, Nomura, T, Nishida, T, Ueno, G, Murakami, H, Yamashita, K, Hirata, K, Yamamoto, M, Ago, H, Sugimoto, H, Shiro, Y, Kubo, M. | Deposit date: | 2017-08-09 | Release date: | 2017-12-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Capturing an initial intermediate during the P450nor enzymatic reaction using time-resolved XFEL crystallography and caged-substrate. Nat Commun, 8, 2017
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7XG3
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![BU of 7xg3 by Molmil](/molmil-images/mine/7xg3) | CryoEM structure of type IV-A CasDinG bound NTS-nicked Csf-crRNA-dsDNA quaternary complex | Descriptor: | Csf1, Csf2, Csf3, ... | Authors: | Zhang, J.T, Cui, N, Huang, H.D, Jia, N. | Deposit date: | 2022-04-02 | Release date: | 2023-08-09 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Type IV-A CRISPR-Csf complex: Assembly, dsDNA targeting, and CasDinG recruitment. Mol.Cell, 83, 2023
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2GZ1
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![BU of 2gz1 by Molmil](/molmil-images/mine/2gz1) | Structure of Aspartate Semialdehyde Dehydrogenase (ASADH) from Streptococcus pneumoniae complexed with NADP | Descriptor: | Aspartate beta-semialdehyde dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Faehnle, C.R, Le Coq, J, Liu, X, Viola, R.E. | Deposit date: | 2006-05-10 | Release date: | 2006-08-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Examination of key intermediates in the catalytic cycle of aspartate-beta-semialdehyde dehydrogenase from a gram-positive infectious bacteria. J.Biol.Chem., 281, 2006
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2WUZ
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![BU of 2wuz by Molmil](/molmil-images/mine/2wuz) | X-ray structure of CYP51 from Trypanosoma cruzi in complex with fluconazole in alternative conformation | Descriptor: | 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, LANOSTEROL 14-ALPHA-DEMETHYLASE, PUTATIVE, ... | Authors: | Chen, C.-K, Leung, S.S.F, Guilbert, C, Jacobson, M, McKerrow, J.H, Podust, L.M. | Deposit date: | 2009-10-11 | Release date: | 2009-10-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural Characterization of Cyp51 from Trypanosoma Cruzi and Trypanosoma Brucei Bound to the Antifungal Drugs Posaconazole and Fluconazole Plos Negl Trop Dis, 4, 2010
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7XG4
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![BU of 7xg4 by Molmil](/molmil-images/mine/7xg4) | CryoEM structure of type IV-A CasDinG bound NTS-nicked Csf-crRNA-dsDNA quaternary complex in a second state | Descriptor: | Csf1, Csf2, Csf3, ... | Authors: | Zhang, J.T, Cui, N, Huang, H.D, Jia, N. | Deposit date: | 2022-04-02 | Release date: | 2023-08-09 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Type IV-A CRISPR-Csf complex: Assembly, dsDNA targeting, and CasDinG recruitment. Mol.Cell, 83, 2023
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6H8K
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![BU of 6h8k by Molmil](/molmil-images/mine/6h8k) | Crystal structure of a variant (Q133C in PSST) of Yarrowia lipolytica complex I | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER, NADH dehydrogenase [ubiquinone] flavoprotein 1, ... | Authors: | Wirth, C, Galemou Yoga, E, Zickermann, V, Hunte, C. | Deposit date: | 2018-08-02 | Release date: | 2018-12-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.79 Å) | Cite: | Locking loop movement in the ubiquinone pocket of complex I disengages the proton pumps. Nat Commun, 9, 2018
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5Y6Q
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3L4D
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![BU of 3l4d by Molmil](/molmil-images/mine/3l4d) | Crystal structure of sterol 14-alpha demethylase (CYP51) from Leishmania infantum in complex with fluconazole | Descriptor: | 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, 3,6,9,12,15-PENTAOXATRICOSAN-1-OL, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Lepesheva, G.I, Hargrove, T.Y, Wawrzak, Z, Waterman, M.R. | Deposit date: | 2009-12-19 | Release date: | 2009-12-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Substrate Preferences and Catalytic Parameters Determined by Structural Characteristics of Sterol 14{alpha}-Demethylase (CYP51) from Leishmania infantum. J.Biol.Chem., 286, 2011
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6GFO
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![BU of 6gfo by Molmil](/molmil-images/mine/6gfo) | cyanobacterial GAPDH with full-length CP12 | Descriptor: | CP12 polypeptide, Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | McFarlane, C.R, Murray, J.W. | Deposit date: | 2018-05-01 | Release date: | 2019-05-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis of light-induced redox regulation in the Calvin-Benson cycle in cyanobacteria. Proc.Natl.Acad.Sci.USA, 116, 2019
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