4MVI
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4E8G
| Crystal structure of an enolase (mandelate racemase subgroup) from paracococus denitrificans pd1222 (target nysgrc-012907) with bound mg | Descriptor: | MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme, N-terminal domain protein, ... | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Wasserman, S.R, Morisco, L.L, Sojitra, S, Chamala, S, Kar, A, Lafleur, J, Villigas, G, Evans, B, Hammonds, J, Gizzi, A, Zencheck, W.D, Hillerich, B, Love, J, Seidel, R.D, Bonanno, J.B, Gerlt, J.A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2012-03-20 | Release date: | 2012-05-02 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Prediction and biochemical demonstration of a catabolic pathway for the osmoprotectant proline betaine. MBio, 5, 2014
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2BB0
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4MRT
| Structure of the Phosphopantetheine Transferase Sfp in Complex with Coenzyme A and a Peptidyl Carrier Protein | Descriptor: | 4'-phosphopantetheinyl transferase sfp, COENZYME A, GLYCEROL, ... | Authors: | Tufar, P, Rahighi, S, Kraas, F.I, Kirchner, D.K, Loehr, F, Henrich, E, Koepke, J, Dikic, I, Guentert, P, Marahiel, M.A, Doetsch, V. | Deposit date: | 2013-09-17 | Release date: | 2014-04-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of a PCP/Sfp Complex Reveals the Structural Basis for Carrier Protein Posttranslational Modification. Chem.Biol., 21, 2014
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4G47
| Structure of cytochrome P450 CYP121 in complex with 4-(1H-1,2,4-triazol-1-yl)phenol | Descriptor: | 4-(1H-1,2,4-triazol-1-yl)phenol, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Hudson, S.A, McLean, K.J, Surade, S, Yang, Y.-Q, Leys, D, Ciulli, A, Munro, A.W, Abell, C. | Deposit date: | 2012-07-16 | Release date: | 2012-09-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Application of Fragment Screening and Merging to the Discovery of Inhibitors of the Mycobacterium tuberculosis Cytochrome P450 CYP121 Angew.Chem.Int.Ed.Engl., 51, 2012
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4OWR
| Vesiculoviral matrix (M) protein occupies nucleic acid binding site at nucleoporin pair Rae1-Nup98 | Descriptor: | Matrix protein, Nuclear pore complex protein Nup98-Nup96, mRNA export factor | Authors: | Ren, Y, Quan, B, Seo, H.S, Blobel, G. | Deposit date: | 2014-02-03 | Release date: | 2014-06-25 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Vesiculoviral matrix (M) protein occupies nucleic acid binding site at nucleoporin pair (Rae1 Nup98). Proc.Natl.Acad.Sci.USA, 111, 2014
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4G44
| Structure of P450 CYP121 in complex with lead compound MB286, 3-((1H-1,2,4-triazol-1-yl)methyl)aniline | Descriptor: | 3-(1H-1,2,4-triazol-1-ylmethyl)aniline, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Hudson, S.A, McLean, K.J, Surade, S, Yang, Y.-Q, Leys, D, Ciulli, A, Munro, A.W, Abell, C. | Deposit date: | 2012-07-16 | Release date: | 2012-09-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Application of Fragment Screening and Merging to the Discovery of Inhibitors of the Mycobacterium tuberculosis Cytochrome P450 CYP121 Angew.Chem.Int.Ed.Engl., 51, 2012
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4G45
| Structure of cytochrome CYP121 in complex with 2-methylquinolin-6-amine | Descriptor: | 2-methylquinolin-6-amine, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Hudson, S.A, McLean, K.J, Surade, S, Yang, Y.-Q, Leys, D, Ciulli, A, Munro, A.W, Abell, C. | Deposit date: | 2012-07-16 | Release date: | 2012-09-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Application of Fragment Screening and Merging to the Discovery of Inhibitors of the Mycobacterium tuberculosis Cytochrome P450 CYP121 Angew.Chem.Int.Ed.Engl., 51, 2012
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4G46
| Structure of cytochrome P450 CYP121 in complex with 4-oxo-4,5,6,7-tetrahydrobenzofuran-3-carboxylate | Descriptor: | 4-oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Hudson, S.A, McLean, K.J, Surade, S, Yang, Y.-Q, Leys, D, Ciulli, A, Munro, A.W, Abell, C. | Deposit date: | 2012-07-16 | Release date: | 2012-09-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Application of Fragment Screening and Merging to the Discovery of Inhibitors of the Mycobacterium tuberculosis Cytochrome P450 CYP121 Angew.Chem.Int.Ed.Engl., 51, 2012
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4OT4
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4P0M
| Crystal structure of an evolved putative penicillin-binding protein homolog, Rv2911, from Mycobacterium tuberculosis | Descriptor: | D-alanyl-D-alanine carboxypeptidase | Authors: | Krieger, I, Yu, M, Bursey, E, Hung, L.-W, Terwilliger, T.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2014-02-21 | Release date: | 2014-03-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Subfamily-Specific Adaptations in the Structures of Two Penicillin-Binding Proteins from Mycobacterium tuberculosis. Plos One, 9, 2014
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4FYZ
| Crystal Structure of Nitrosyl Cytochrome P450cin | Descriptor: | 1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCTANE, DI(HYDROXYETHYL)ETHER, NITRIC OXIDE, ... | Authors: | Madrona, Y, Tripathi, S.M, Li, H, Poulos, T.L. | Deposit date: | 2012-07-05 | Release date: | 2012-07-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Crystal structures of substrate-free and nitrosyl cytochrome p450cin: implications for o(2) activation. Biochemistry, 51, 2012
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4GL5
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2BCO
| X-ray structure of succinylglutamate desuccinalase from Vibrio Parahaemolyticus (RIMD 2210633) at the resolution 2.3 A, Northeast Structural Genomics Target Vpr14 | Descriptor: | Succinylglutamate desuccinylase, ZINC ION | Authors: | Kuzin, A.P, Abashidze, M, Forouhar, F, Benach, J, Zhou, W, Acton, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2005-10-19 | Release date: | 2005-10-25 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | X-ray structure of succinylglutamate desuccinalase from Vibrio Parahaemolyticus (RIMD 2210633) at the resolution 2.3 A, Northeast Structural Genomics Target Vpr14 To be Published
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1EKJ
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7KRM
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6FRQ
| Structure of tetragonal Hen Egg-White Lysozyme co-crystallized in presence of 100 mM Tb-Xo4 and 100 mM Potassium sodium tartrate tetrahydrate. | Descriptor: | CHLORIDE ION, Lysozyme C, TERBIUM(III) ION | Authors: | Engilberge, S, Riobe, F, Di Pietro, S, Wagner, T, Shima, S, Girard, E, Dumont, E, Maury, O. | Deposit date: | 2018-02-16 | Release date: | 2018-10-03 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Unveiling the Binding Modes of the Crystallophore, a Terbium-based Nucleating and Phasing Molecular Agent for Protein Crystallography. Chemistry, 24, 2018
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5KXW
| Hen Egg White Lysozyme at 278K, Data set 6 | Descriptor: | Lysozyme C, SODIUM ION | Authors: | Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H. | Deposit date: | 2016-07-20 | Release date: | 2016-09-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Conformational variation of proteins at room temperature is not dominated by radiation damage. J Synchrotron Radiat, 24, 2017
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8FS1
| CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor 11a (YD905) | Descriptor: | 1,2-ETHANEDIOL, 5'-S-{2-[N'-(cyclohexylmethyl)carbamimidamido]ethyl}-N-(3-phenylpropyl)-5'-thioadenosine, DNA (5'-D(*AP*TP*GP*GP*GP*AP*CP*TP*TP*TP*TP*TP*GP*A)-3'), ... | Authors: | Zhou, J, Horton, J.R, Cheng, X. | Deposit date: | 2023-01-09 | Release date: | 2023-05-10 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Comparative Study of Adenosine Analogs as Inhibitors of Protein Arginine Methyltransferases and a Clostridioides difficile- Specific DNA Adenine Methyltransferase. Acs Chem.Biol., 18, 2023
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1EQW
| CRYSTAL STRUCTURE OF SALMONELLA TYPHIMURIUM CU,ZN SUPEROXIDE DISMUTASE | Descriptor: | COPPER (II) ION, CU,ZN SUPEROXIDE DISMUTASE, ZINC ION | Authors: | Pesce, A, Battistoni, A, Stroppolo, M.E, Polizio, F, Nardini, M, Kroll, J.S, Langford, P.R, O'Neill, P, Sette, M, Desideri, A, Bolognesi, M. | Deposit date: | 2000-04-06 | Release date: | 2000-09-08 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Functional and crystallographic characterization of Salmonella typhimurium Cu,Zn superoxide dismutase coded by the sodCI virulence gene. J.Mol.Biol., 302, 2000
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5SMJ
| Trypanothione reductase | Descriptor: | BROMIDE ION, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Fiorillo, A, Ilari, A. | Deposit date: | 2022-03-05 | Release date: | 2023-03-01 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design. Front Mol Biosci, 9, 2022
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6FMD
| Targeting myeloid differentiation using potent human dihydroorotate dehydrogenase (hDHODH) inhibitors based on 2-hydroxypyrazolo[1,5-a]pyridine scaffold | Descriptor: | 2-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide, ACETATE ION, CHLORIDE ION, ... | Authors: | Goyal, P, Jarva, M, Andersson, M, Lolli, M.L, Friemann, R. | Deposit date: | 2018-01-30 | Release date: | 2018-07-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Targeting Myeloid Differentiation Using Potent 2-Hydroxypyrazolo[1,5- a]pyridine Scaffold-Based Human Dihydroorotate Dehydrogenase Inhibitors. J. Med. Chem., 61, 2018
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6FMR
| IMISX-EP of Se-PepTSt | Descriptor: | (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, Di-or tripeptide:H+ symporter, PHOSPHATE ION | Authors: | Huang, C.-Y, Olieric, V, Howe, N, Warshamanage, R, Weinert, T, Panepucci, E, Vogeley, L, Basu, S, Diederichs, K, Caffrey, M, Wang, M. | Deposit date: | 2018-02-02 | Release date: | 2018-08-29 | Last modified: | 2018-10-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | In situ serial crystallography for rapid de novo membrane protein structure determination. Commun Biol, 1, 2018
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6FMW
| IMISX-EP of Hg-BacA cocrystallization | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MERCURY (II) ION, ... | Authors: | Huang, C.-Y, Olieric, V, Howe, N, Warshamanage, R, Weinert, T, Panepucci, E, Vogeley, L, Basu, S, Diederichs, K, Caffrey, M, Wang, M. | Deposit date: | 2018-02-02 | Release date: | 2018-09-05 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | In situ serial crystallography for rapid de novo membrane protein structure determination. Commun Biol, 1, 2018
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1ETQ
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