5VZN
 
 | | Wild-type sperm whale myoglobin with nitric oxide | | Descriptor: | GLYCEROL, Myoglobin, NITRIC OXIDE, ... | | Authors: | Wang, B, Thomas, L.M, Richter-Addo, G.B. | | Deposit date: | 2017-05-29 | | Release date: | 2018-06-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Nitrosyl Myoglobins and Their Nitrite Precursors: Crystal Structural and Quantum Mechanics and Molecular Mechanics Theoretical Investigations of Preferred Fe -NO Ligand Orientations in Myoglobin Distal Pockets.
Biochemistry, 57, 2018
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6ZJ7
 | | Trehalose transferase (TreT) from Thermoproteus uzoniensis soaked with Mg | | Descriptor: | GLYCEROL, TETRAETHYLENE GLYCOL, THIOCYANATE ION, ... | | Authors: | Bento, I, Mestrom, L, Marsden, S.R, van der Eijk, H, Laustsen, J.U, Jeffries, C.M, Svergun, D.I, Hagedoorn, P.-H, Hanefeld, U. | | Deposit date: | 2020-06-28 | | Release date: | 2020-09-30 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Anomeric Selectivity of Trehalose Transferase with Rare l-Sugars.
Acs Catalysis, 10, 2020
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7LQO
 | | Crystal structure of a genetically encoded red fluorescent peroxynitrite biosensor, pnRFP | | Descriptor: | PHOSPHATE ION, red fluorescent peroxynitrite biosensor pnRFP | | Authors: | Huang, M, Ng, H.L, Pang, Y, Zhang, S, Fan, Y, Yeh, H, Xiong, Y, Li, X, Ai, H. | | Deposit date: | 2021-02-14 | | Release date: | 2022-03-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Development, Characterization, and Structural Analysis of a Genetically Encoded Red Fluorescent Peroxynitrite Biosensor
To Be Published
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6HBB
 | | Crystal Structure of the small subunit-like domain 1 of CcmM from Synechococcus elongatus (strain PCC 7942) | | Descriptor: | Carbon dioxide concentrating mechanism protein CcmM, SULFATE ION | | Authors: | Wang, H, Yan, X, Aigner, H, Bracher, A, Nguyen, N.D, Hee, W.Y, Long, B.M, Price, G.D, Hartl, F.U, Hayer-Hartl, M. | | Deposit date: | 2018-08-10 | | Release date: | 2018-12-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Rubisco condensate formation by CcmM in beta-carboxysome biogenesis.
Nature, 566, 2019
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6G8S
 | | [Ru(TAP)2(11,12-CN2-dppz)]2+ bound to d(CCGGACCCGG/CCGGGTCCGG)2 | | Descriptor: | BARIUM ION, DNA (5'-D(*CP*CP*GP*GP*AP*CP*CP*CP*GP*G)-3'), DNA (5'-D(*CP*CP*GP*GP*GP*TP*CP*CP*GP*G)-3'), ... | | Authors: | McQuaid, K.T, Hall, J.P, Cardin, C.J. | | Deposit date: | 2018-04-09 | | Release date: | 2019-04-24 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | X-ray Crystal Structures Show DNA Stacking Advantage of Terminal Nitrile Substitution in Ru-dppz Complexes.
Chemistry, 24, 2018
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5HRX
 | | Crystal structure of the fifth bromodomain of human PB1 in complex with 1-butylisochromeno[3,4-c]pyrazol-5(2H)-one) compound | | Descriptor: | 1,2-ETHANEDIOL, 1-butylisochromeno[3,4-c]pyrazol-5(3H)-one, Protein polybromo-1 | | Authors: | Tallant, C, Myrianthopoulos, V, Gaboriaud-Kolar, N, Newman, J.A, Picaud, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Mikros, E, Knapp, S. | | Deposit date: | 2016-01-24 | | Release date: | 2016-10-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Discovery and Optimization of a Selective Ligand for the Switch/Sucrose Nonfermenting-Related Bromodomains of Polybromo Protein-1 by the Use of Virtual Screening and Hydration Analysis.
J.Med.Chem., 59, 2016
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6QUI
 | | GHK tagged GFP variant at 17Kev | | Descriptor: | COPPER (II) ION, GLYCEROL, Green fluorescent protein, ... | | Authors: | Huyton, T, Gorlich, D. | | Deposit date: | 2019-02-27 | | Release date: | 2020-05-27 | | Last modified: | 2022-12-07 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | The copper(II)-binding tripeptide GHK, a valuable crystallization and phasing tag for macromolecular crystallography.
Acta Crystallogr D Struct Biol, 76, 2020
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6HBE
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7LXQ
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5VZR
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6BKL
 | | Influenza A M2 transmembrane domain bound to rimantadine | | Descriptor: | (1S)-1-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]ethan-1-amine, Matrix protein 2, RIMANTADINE | | Authors: | Thomaston, J.L, DeGrado, W.F. | | Deposit date: | 2017-11-08 | | Release date: | 2018-09-19 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.995 Å) | | Cite: | Inhibitors of the M2 Proton Channel Engage and Disrupt Transmembrane Networks of Hydrogen-Bonded Waters.
J. Am. Chem. Soc., 140, 2018
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5HSH
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6G91
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6BND
 | | Crystal structure of the intrinsic colistin resistance enzyme ICR(Mc) from Moraxella catarrhalis, catalytic domain, Thr315Ala mutant mono-zinc and phosphoethanolamine complex | | Descriptor: | PHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER, POLYETHYLENE GLYCOL (N=34), Phosphoethanolamine transferase, ... | | Authors: | Stogios, P.J, Evdokimova, E, Wawrzak, Z, Savchenko, A, Anderson, W.F, Satchell, K.J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2017-11-16 | | Release date: | 2018-01-31 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Substrate Recognition by a Colistin Resistance Enzyme from Moraxella catarrhalis.
ACS Chem. Biol., 13, 2018
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7QEM
 | | bacterial IMPDH chimera | | Descriptor: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase | | Authors: | Labesse, G, Gelin, M, Gedeon, A, Haouz, A, Munier-Lehmann, H. | | Deposit date: | 2021-12-03 | | Release date: | 2023-06-14 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.09 Å) | | Cite: | Insight into the role of the Bateman domain at the molecular and physiological levels through engineered IMP dehydrogenases.
Protein Sci., 32, 2023
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6QUV
 | | Crystal Structure of KRAS-G12D in complex with GMP-PCP and compound 15R | | Descriptor: | (6~{a}~{R},11~{b}~{S})-6~{a}-(1,4-dimethylpiperidin-4-yl)-7,11~{b}-dihydro-6~{H}-indolo[2,3-c]isoquinolin-5-one, GTPase KRas, MAGNESIUM ION, ... | | Authors: | Fischer, G, Kessler, D, Muellauer, B, Wolkerstorfer, B. | | Deposit date: | 2019-02-28 | | Release date: | 2019-07-31 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.475 Å) | | Cite: | KRAS Binders Hidden in Nature.
Chemistry, 25, 2019
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6FW0
 | | Crystal structure of human monoamine oxidase B (MAO B) in complex with chlorophenyl-chromone-carboxamide | | Descriptor: | Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Reis, J, Manzella, N, Cagide, F, Mialet-Perez, J, Uriarte, E, Parini, A, Borges, F, Binda, C. | | Deposit date: | 2018-03-05 | | Release date: | 2018-04-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Tight-Binding Inhibition of Human Monoamine Oxidase B by Chromone Analogs: A Kinetic, Crystallographic, and Biological Analysis.
J. Med. Chem., 61, 2018
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8T7J
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6FW7
 | | Crystal structure of L-tryptophan oxidase VioA from Chromobacterium violaceum in complex with 4-Fluoro-L-Tryptophan | | Descriptor: | 4-FLUOROTRYPTOPHANE, FLAVIN-ADENINE DINUCLEOTIDE, Flavin-dependent L-tryptophan oxidase VioA, ... | | Authors: | Lai, H.E, Morgan, M, Moore, S, Freemont, P. | | Deposit date: | 2018-03-05 | | Release date: | 2019-02-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | A GenoChemetic strategy for derivatization of the violacein natural product scaffold
Biorxiv, 2019
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8TTI
 | | Trp-6-Halogenase BorH complexed with FAD and Trp | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, TRYPTOPHAN, ... | | Authors: | Lingkon, K, Bellizzi, J.J. | | Deposit date: | 2023-08-14 | | Release date: | 2023-08-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Crystallographic and thermodynamic evidence of negative cooperativity of flavin and tryptophan binding in the flavin-dependent halogenases AbeH and BorH.
Biorxiv, 2023
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7L92
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6HL3
 | | wild-type NuoEF from Aquifex aeolicus - oxidized form bound to NAD+ | | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Gerhardt, S, Friedrich, T, Einsle, O, Gnandt, E, Schulte, M, Fiegen, D. | | Deposit date: | 2018-09-10 | | Release date: | 2019-06-26 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I.
Nat Commun, 10, 2019
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5W11
 | | Biochemical and structural insights into the catalytic mechanism of thermostable cellobiohydrolase Cel7A from industrially relevant fungus Myceliophthora thermophila | | Descriptor: | Glucanase, TRIS-HYDROXYMETHYL-METHYL-AMMONIUM, alpha-D-mannopyranose, ... | | Authors: | Kadowaki, M.A.S, Higasi, P, de Godoy, M.O, Prade, R.A, Polikarpov, I. | | Deposit date: | 2017-06-01 | | Release date: | 2017-12-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.311 Å) | | Cite: | Biochemical and structural insights into a thermostable cellobiohydrolase from Myceliophthora thermophila.
FEBS J., 285, 2018
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6FWC
 | | Crystal structure of human monoamine oxidase B (MAO B) in complex with fluorophenyl-chromone-carboxamide | | Descriptor: | Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Reis, J, Manzella, N, Cagide, F, Mialet-Perez, J, Uriarte, E, Parini, A, Borges, F, Binda, C. | | Deposit date: | 2018-03-06 | | Release date: | 2018-04-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Tight-Binding Inhibition of Human Monoamine Oxidase B by Chromone Analogs: A Kinetic, Crystallographic, and Biological Analysis.
J. Med. Chem., 61, 2018
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6FWF
 | | Low resolution structure of Neisseria meningitidis qNOR | | Descriptor: | CALCIUM ION, FE (III) ION, Nitric-oxide reductase, ... | | Authors: | Young, D, Antonyuk, S, Tosha, T, Hisano, T, Hasnain, S, Shiro, Y. | | Deposit date: | 2018-03-06 | | Release date: | 2018-03-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (4.2 Å) | | Cite: | Characterization of the quinol-dependent nitric oxide reductase from the pathogen Neisseria meningitidis, an electrogenic enzyme.
Sci Rep, 8, 2018
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