3IMC
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![BU of 3imc by Molmil](/molmil-images/mine/3imc) | Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 1.6 Ang resolution in complex with fragment compound 5-methoxyindole, sulfate and glycerol | Descriptor: | 5-methoxy-1H-indole, ETHANOL, GLYCEROL, ... | Authors: | Ciulli, A, Hung, A.W, Silvestre, H.L, Wen, S, Blundell, T.L, Abell, C. | Deposit date: | 2009-08-10 | Release date: | 2009-10-13 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Application of fragment growing and fragment linking to the discovery of inhibitors of Mycobacterium tuberculosis pantothenate synthetase. Angew.Chem.Int.Ed.Engl., 48, 2009
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3IAN
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![BU of 3ian by Molmil](/molmil-images/mine/3ian) | Crystal structure of a chitinase from Lactococcus lactis subsp. lactis | Descriptor: | 1,2-ETHANEDIOL, Chitinase, SODIUM ION | Authors: | Bonanno, J.B, Rutter, M, Bain, K.T, Miller, S, Ozyurt, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2009-07-14 | Release date: | 2009-07-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structure of a chitinase from Lactococcus lactis subsp. lactis To be Published
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3INU
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![BU of 3inu by Molmil](/molmil-images/mine/3inu) | Crystal structure of an unbound KZ52 neutralizing anti-Ebolavirus antibody. | Descriptor: | GLYCEROL, KZ52 antibody fragment heavy chain, KZ52 antibody fragment light chain, ... | Authors: | Lee, J.E, Fusco, M.L, Abelson, D.M, Hessell, A.J, Burton, D.R, Saphire, E.O. | Deposit date: | 2009-08-12 | Release date: | 2009-10-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Techniques and tactics used in determining the structure of the trimeric ebolavirus glycoprotein. Acta Crystallogr.,Sect.D, 65, 2009
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8PNY
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![BU of 8pny by Molmil](/molmil-images/mine/8pny) | Crystal structure of D-amino acid aminotransferase from Blastococcus saxobsidens complexed with phenylhydrazine and in its apo form | Descriptor: | Branched-chain amino acid aminotransferase/4-amino-4-deoxychorismate lyase, [6-methyl-5-oxidanyl-4-[(2-phenylhydrazinyl)methyl]pyridin-3-yl]methyl dihydrogen phosphate | Authors: | Matyuta, I.O, Boyko, K.M, Nikolaeva, A.Y, Shilova, S.A, Popov, V.O. | Deposit date: | 2023-07-03 | Release date: | 2023-10-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Expanded Substrate Specificity in D-Amino Acid Transaminases: A Case Study of Transaminase from Blastococcus saxobsidens. Int J Mol Sci, 24, 2023
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2LV2
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![BU of 2lv2 by Molmil](/molmil-images/mine/2lv2) | Solution NMR structure of C2H2-type Zinc-fingers 4 and 5 from human Insulinoma-associated protein 1 (fragment 424-497), Northeast Structural Genomics Consortium Target HR7614B | Descriptor: | Insulinoma-associated protein 1, ZINC ION | Authors: | Yang, Y, Ramelot, T.A, Cort, J.R, Shastry, R, Kohan, E, Janjua, H, Xiao, R, Acton, T, Everett, J.K, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-06-27 | Release date: | 2012-10-10 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution NMR structure of C2H2-type Zinc-fingers 4 and 5 from human Insulinoma-associated protein 1 (fragment 424-497), Northeast Structural
Genomics Consortium Target HR7614B (CASP Target) To be Published
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2FUE
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![BU of 2fue by Molmil](/molmil-images/mine/2fue) | Human alpha-Phosphomannomutase 1 with D-mannose 1-phosphate and Mg2+ cofactor bound | Descriptor: | 1-O-phosphono-alpha-D-mannopyranose, MAGNESIUM ION, Phosphomannomutase 1 | Authors: | Silvaggi, N.R, Zhang, C, Lu, Z, Dunaway-Mariano, D, Allen, K.N. | Deposit date: | 2006-01-26 | Release date: | 2006-03-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The X-ray crystal structures of human alpha-phosphomannomutase 1 reveal the structural basis of congenital disorder of glycosylation type 1a. J.Biol.Chem., 281, 2006
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7QIF
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![BU of 7qif by Molmil](/molmil-images/mine/7qif) | Crystal structure of SARS-CoV-2 NSP14 in complex with 7MeGpppG. | Descriptor: | 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE, PHOSPHATE ION, Proofreading exoribonuclease nsp14, ... | Authors: | Newman, J.A, Imprachim, N, Yosaatmadja, Y, Gileadi, O. | Deposit date: | 2021-12-14 | Release date: | 2022-02-02 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Crystal structures and fragment screening of SARS-CoV-2 NSP14 reveal details of exoribonuclease activation and mRNA capping and provide starting points for antiviral drug development. Nucleic Acids Res., 51, 2023
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5L6E
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![BU of 5l6e by Molmil](/molmil-images/mine/5l6e) | |
3IPM
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![BU of 3ipm by Molmil](/molmil-images/mine/3ipm) | |
2LV0
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![BU of 2lv0 by Molmil](/molmil-images/mine/2lv0) | |
5KWI
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![BU of 5kwi by Molmil](/molmil-images/mine/5kwi) | M.tb Ag85C modified at C209 by adamantyl-ebselen | Descriptor: | Diacylglycerol acyltransferase/mycolyltransferase Ag85C, ~{N}-(1-adamantyl)-2-selanyl-benzamide | Authors: | Goins, C.M, Ronning, D.R. | Deposit date: | 2016-07-18 | Release date: | 2017-03-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Exploring Covalent Allosteric Inhibition of Antigen 85C from Mycobacterium tuberculosis by Ebselen Derivatives. ACS Infect Dis, 3, 2017
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2LW1
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![BU of 2lw1 by Molmil](/molmil-images/mine/2lw1) | The C-terminal domain of the Uup protein is a DNA-binding coiled coil motif | Descriptor: | ABC transporter ATP-binding protein uup | Authors: | Carlier, L, Haase, A.S, Burgos Zepeda, M.Y, Dassa, E, Lequin, O. | Deposit date: | 2012-07-19 | Release date: | 2012-09-19 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | The C-terminal domain of the Uup protein is a DNA-binding coiled coil motif. J.Struct.Biol., 180, 2012
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7KYP
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2XMN
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![BU of 2xmn by Molmil](/molmil-images/mine/2xmn) | High resolution snapshots of defined TolC open states present an iris- like movement of periplasmic entrance helices | Descriptor: | CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, Outer membrane protein TolC | Authors: | Pei, X.Y, Koronakis, E, Hughes, C, Koronakis, V. | Deposit date: | 2010-07-28 | Release date: | 2011-01-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structures of sequential open states in a symmetrical opening transition of the TolC exit duct. Proc. Natl. Acad. Sci. U.S.A., 108, 2011
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8Q5A
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![BU of 8q5a by Molmil](/molmil-images/mine/8q5a) | Crystal structure of metal-dependent class II sulfofructosephosphate aldolase from Hafnia paralvei HpSqiA-Zn in complex with dihydroxyacetone phosphate (DHAP) | Descriptor: | 1,3-DIHYDROXYACETONEPHOSPHATE, Ketose-bisphosphate aldolase, ZINC ION | Authors: | Sharma, M, Davies, G.J. | Deposit date: | 2023-08-08 | Release date: | 2023-10-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Defining the molecular architecture, metal dependence, and distribution of metal-dependent class II sulfofructose-1-phosphate aldolases. J.Biol.Chem., 299, 2023
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7QBM
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![BU of 7qbm by Molmil](/molmil-images/mine/7qbm) | Structure of the activation intermediate of cathepsin K in complex with the 3-cyano-3-aza-beta-amino acid inhibitor Gu2602 | Descriptor: | ACETATE ION, Cathepsin K, MAGNESIUM ION, ... | Authors: | Benysek, J, Busa, M, Mares, M. | Deposit date: | 2021-11-19 | Release date: | 2022-01-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Highly potent inhibitors of cathepsin K with a differently positioned cyanohydrazide warhead: structural analysis of binding mode to mature and zymogen-like enzymes. J Enzyme Inhib Med Chem, 37, 2022
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2M3V
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7QJE
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![BU of 7qje by Molmil](/molmil-images/mine/7qje) | Structure of recombinant human gamma-Tubulin Ring Complex 4-spoked assembly intermediate (spokes 9-12) | Descriptor: | Gamma-tubulin complex component 4, Gamma-tubulin complex component 5, Gamma-tubulin complex component 6, ... | Authors: | Tonon, G, Zupa, E, Pfeffer, S. | Deposit date: | 2021-12-16 | Release date: | 2022-01-26 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (7.8 Å) | Cite: | Modular assembly of the principal microtubule nucleator gamma-TuRC. Nat Commun, 13, 2022
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2Y0I
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![BU of 2y0i by Molmil](/molmil-images/mine/2y0i) | FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH TANKYRASE-2 (TNKS2) FRAGMENT PEPTIDE (21-MER) | Descriptor: | 2-OXOGLUTARIC ACID, FE (II) ION, GLYCEROL, ... | Authors: | Chowdhury, R, McDonough, M.A, Schofield, C.J. | Deposit date: | 2010-12-02 | Release date: | 2011-02-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Factor-inhibiting hypoxia-inducible factor (FIH) catalyses the post-translational hydroxylation of histidinyl residues within ankyrin repeat domains. FEBS J., 278, 2011
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7EQI
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![BU of 7eqi by Molmil](/molmil-images/mine/7eqi) | ChlB3 [Aceyltransferase] | Descriptor: | ChlB3 | Authors: | Saeed, A.U, Zheng, J. | Deposit date: | 2021-05-02 | Release date: | 2021-06-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural Insight of KSIII ( beta-Ketoacyl-ACP Synthase)-like Acyltransferase ChlB3 in the Biosynthesis of Chlorothricin. Molecules, 27, 2022
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8PI1
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![BU of 8pi1 by Molmil](/molmil-images/mine/8pi1) | Bicyclic INCYPRO Pseudomonas fluorescens esterase | Descriptor: | Arylesterase, GLYCEROL, N-[2-[3,5-bis[2-(2-iodanylethanoylamino)ethanoyl]-1,3,5-triazinan-1-yl]-2-oxidanylidene-ethyl]-2-iodanyl-ethanamide | Authors: | Kiehstaller, S, Pearce, N.M, Grossmann, T.N, Hennig, S. | Deposit date: | 2023-06-20 | Release date: | 2023-11-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Covalent bicyclization of protein complexes yields durable quaternary structures. Chem, 10, 2024
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7QBO
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![BU of 7qbo by Molmil](/molmil-images/mine/7qbo) | Structure of the activation intermediate of cathepsin K in complex with the azadipeptide nitrile inhibitor Gu1303 | Descriptor: | (phenylmethyl) ~{N}-[(2~{S})-1-[[aminomethyl(methyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Benysek, J, Busa, M, Mares, M. | Deposit date: | 2021-11-19 | Release date: | 2022-01-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Highly potent inhibitors of cathepsin K with a differently positioned cyanohydrazide warhead: structural analysis of binding mode to mature and zymogen-like enzymes. J Enzyme Inhib Med Chem, 37, 2022
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3I8O
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![BU of 3i8o by Molmil](/molmil-images/mine/3i8o) | A domain of a functionally unknown protein from Methanocaldococcus jannaschii DSM 2661. | Descriptor: | ACETATE ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Tan, K, Chhor, G, Cobb, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2009-07-09 | Release date: | 2009-07-21 | Last modified: | 2019-07-24 | Method: | X-RAY DIFFRACTION (2.638 Å) | Cite: | A domain of a functionally unknown protein from Methanocaldococcus jannaschii DSM 2661. To be Published
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8PDZ
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5L01
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![BU of 5l01 by Molmil](/molmil-images/mine/5l01) | Tryptophan 5-hydroxylase in complex with inhibitor (3~{S})-8-[2-azanyl-6-[(1~{R})-1-(4-chloranyl-2-phenyl-phenyl)-2,2,2-tris(fluoranyl)ethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid | Descriptor: | (3~{S})-8-[2-azanyl-6-[(1~{R})-1-(4-chloranyl-2-phenyl-phenyl)-2,2,2-tris(fluoranyl)ethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid, FE (III) ION, Tryptophan 5-hydroxylase 1 | Authors: | Stein, A.J, Goldberg, D.R, De Lombaert, S, Holt, M.C. | Deposit date: | 2016-07-26 | Release date: | 2017-01-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Optimization of spirocyclic proline tryptophan hydroxylase-1 inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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