7XKZ
 
 | | Solution structure of subunit epsilon of the Mycobacterium abscessus F-ATP synthase | | Descriptor: | ATP synthase epsilon chain | | Authors: | Shin, J, Grueber, G, Harikishore, A, Wong, C.F, Prya, R, Dick, T. | | Deposit date: | 2022-04-20 | | Release date: | 2023-03-08 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Atomic solution structure of Mycobacterium abscessus F-ATP synthase subunit epsilon and identification of Ep1MabF1 as a targeted inhibitor.
Febs J., 289, 2022
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7X5Q
 | | Apo Truncated VhChiP (Delta 1-19) in complex with peptide (DGANSDAAK) | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, ASP-GLY-ALA-ASN-SER-ASP, Chitoporin, ... | | Authors: | Sanram, S, Aunkham, A, Suginta, W, Robinson, R.C. | | Deposit date: | 2022-03-05 | | Release date: | 2023-03-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure and function of truncated VhChiP
To Be Published
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3CA2
 | | CRYSTALLOGRAPHIC STUDIES OF INHIBITOR BINDING SITES IN HUMAN CARBONIC ANHYDRASE II. A PENTACOORDINATED BINDING OF THE SCN-ION TO THE ZINC AT HIGH P*H | | Descriptor: | 3-MERCURI-4-AMINOBENZENESULFONAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ... | | Authors: | Eriksson, A.E, Jones, T.A, Liljas, A. | | Deposit date: | 1989-10-02 | | Release date: | 1990-01-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystallographic studies of inhibitor binding sites in human carbonic anhydrase II: a pentacoordinated binding of the SCN- ion to the zinc at high pH.
Proteins, 4, 1988
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7X3H
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3KXV
 | | Structure of complement Factor H variant Q1139A | | Descriptor: | Complement factor H, SULFATE ION | | Authors: | Bhattacharjee, A, Lehtinen, M.J, Kajander, T, Goldman, A, Jokiranta, T.S. | | Deposit date: | 2009-12-04 | | Release date: | 2010-05-19 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.004 Å) | | Cite: | Both domain 19 and domain 20 of factor H are involved in binding to complement C3b and C3d
Mol.Immunol., 47, 2010
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6LC8
 | | Crystal structure of AmpC Ent385 complex form with avibactam | | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,4-DIETHYLENE DIOXIDE, Beta-lactamase, ... | | Authors: | Kawai, A, Doi, Y. | | Deposit date: | 2019-11-18 | | Release date: | 2020-04-22 | | Last modified: | 2022-03-23 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural Basis of Reduced Susceptibility to Ceftazidime-Avibactam and Cefiderocol inEnterobacter cloacaeDue to AmpC R2 Loop Deletion.
Antimicrob.Agents Chemother., 64, 2020
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3TBJ
 | | The 1.7A crystal structure of Actibind a T2 ribonucleases as antitumorigenic agents | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Almog, O, Gonzalez, A. | | Deposit date: | 2011-08-07 | | Release date: | 2012-08-22 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The 1.8 A crystal structure of ACTIBIND suggests a mode of action for T2 ribonucleases as antitumorigenic agents.
J.Med.Chem., 55, 2012
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3L31
 | | Crystal structure of the CBS and DRTGG domains of the regulatory region of Clostridium perfringens pyrophosphatase complexed with the inhibitor, AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, Probable manganase-dependent inorganic pyrophosphatase | | Authors: | Tuominen, H, Salminen, A, Oksanen, E, Jamsen, J, Heikkila, O, Lehtio, L, Magretova, N.N, Goldman, A, Baykov, A.A, Lahti, R. | | Deposit date: | 2009-12-16 | | Release date: | 2010-04-21 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structures of the CBS and DRTGG Domains of the Regulatory Region of Clostridiumperfringens Pyrophosphatase Complexed with the Inhibitor, AMP, and Activator, Diadenosine Tetraphosphate.
J.Mol.Biol., 2010
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5LIU
 | | Crystal structure of human AKR1B10 complexed with NADP+ and the inhibitor IDD388 | | Descriptor: | (2-{[(4-BROMO-2-FLUOROBENZYL)AMINO]CARBONYL}-5-CHLOROPHENOXY)ACETIC ACID, 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, ... | | Authors: | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Fanfrlik, J, Kamlar, M, Vesely, J, Hobza, P, Podjarny, A. | | Deposit date: | 2016-07-15 | | Release date: | 2016-07-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | IDD388 Polyhalogenated Derivatives as Probes for an Improved Structure-Based Selectivity of AKR1B10 Inhibitors.
Acs Chem.Biol., 11, 2016
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5EHE
 | | Crystal structure of human carbonic anhydrase isozyme II with 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 2, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2015-10-28 | | Release date: | 2016-11-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Intrinsic Thermodynamics and Structures of 2,4- and 3,4-Substituted Fluorinated Benzenesulfonamides Binding to Carbonic Anhydrases.
ChemMedChem, 12, 2017
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6L4W
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3T6Z
 | | Crystal Structure of Steccherinum ochraceum Laccase obtained by multi-crystals composite data collection technique (60% dose) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, GLYCEROL, ... | | Authors: | Ferraroni, M, Briganti, F, Matera, I, Kolomytseva, M, Golovleva, L, Scozzafava, A, Chernykh, A.M. | | Deposit date: | 2011-07-29 | | Release date: | 2012-04-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Reaction intermediates and redox state changes in a blue laccase from Steccherinum ochraceum observed by crystallographic high/low X-ray dose experiments.
J.Inorg.Biochem., 111, 2012
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5ENG
 | | Crystal structure of the bromodomain of human CREBBP in complex with UP39 | | Descriptor: | CREB-binding protein, methyl 2-[2-(3,5-dihydro-2~{H}-pyrazin-4-yl)ethoxy]-5-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]benzoate | | Authors: | Dong, J, Caflisch, A. | | Deposit date: | 2015-11-09 | | Release date: | 2016-11-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules.
ACS Med Chem Lett, 9, 2018
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7X09
 | | Homo sapiens Prolyl-tRNA Synthetase (HsPRS) in Complex with inhibitors L95 and Halofuginone | | Descriptor: | 7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one, BROMIDE ION, Bifunctional glutamate/proline--tRNA ligase, ... | | Authors: | Manickam, Y, Babbar, P, Pillai, P, Sharma, A. | | Deposit date: | 2022-02-21 | | Release date: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of Homo sapiens Prolyl-tRNA synthetase (HsPRS) with double inhibitors (HF and L95)
To Be Published
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7X1O
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6LD2
 | | Zika NS5 polymerase domain | | Descriptor: | (1S,2S,4S,5R)-2,4-dimethoxy-5-thiophen-2-yl-cyclohexane-1-carboxylic acid, RNA-directed RNA polymerase NS5, ZINC ION | | Authors: | El Sahili, A, Lescar, J. | | Deposit date: | 2019-11-20 | | Release date: | 2020-08-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Non-nucleoside Inhibitors of Zika Virus RNA-Dependent RNA Polymerase.
J.Virol., 94, 2020
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5EP7
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7XOZ
 | | Crystal structure of RPPT-TIR | | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase | | Authors: | Song, W, Jia, A, Huang, S, Chai, J. | | Deposit date: | 2022-05-02 | | Release date: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | TIR-catalyzed ADP-ribosylation reactions produce signaling molecules for plant immunity.
Science, 377, 2022
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6LC7
 | | Crystal structure of AmpC Ent385 free form | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, Beta-lactamase, GLYCEROL, ... | | Authors: | Kawai, A, Doi, Y. | | Deposit date: | 2019-11-18 | | Release date: | 2020-04-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural Basis of Reduced Susceptibility to Ceftazidime-Avibactam and Cefiderocol inEnterobacter cloacaeDue to AmpC R2 Loop Deletion.
Antimicrob.Agents Chemother., 64, 2020
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6LD5
 | | Zika NS5 polymerase domain | | Descriptor: | 2,4-dimethoxy-5-thiophen-2-yl-benzoic acid, RNA-directed RNA polymerase NS5, ZINC ION, ... | | Authors: | El Sahili, A, Lescar, J. | | Deposit date: | 2019-11-20 | | Release date: | 2020-08-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Non-nucleoside Inhibitors of Zika Virus RNA-Dependent RNA Polymerase.
J.Virol., 94, 2020
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6LC9
 | | Crystal structure of AmpC Ent385 complex form with ceftazidime | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, ACYLATED CEFTAZIDIME, Beta-lactamase, ... | | Authors: | Kawai, A, Doi, Y. | | Deposit date: | 2019-11-18 | | Release date: | 2020-04-22 | | Last modified: | 2022-03-23 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural Basis of Reduced Susceptibility to Ceftazidime-Avibactam and Cefiderocol inEnterobacter cloacaeDue to AmpC R2 Loop Deletion.
Antimicrob.Agents Chemother., 64, 2020
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6LD1
 | | Zika NS5 polymerase domain | | Descriptor: | 1,2-ETHANEDIOL, RNA-directed RNA polymerase NS5, ZINC ION | | Authors: | El Sahili, A, Lescar, J. | | Deposit date: | 2019-11-20 | | Release date: | 2020-08-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Non-nucleoside Inhibitors of Zika Virus RNA-Dependent RNA Polymerase.
J.Virol., 94, 2020
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6L4Y
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6LH7
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2QFD
 | | Crystal structure of the regulatory domain of human RIG-I with bound Hg | | Descriptor: | MERCURY (II) ION, Probable ATP-dependent RNA helicase DDX58 | | Authors: | Cui, S, Lammens, A, Lammens, K, Hopfner, K.P. | | Deposit date: | 2007-06-27 | | Release date: | 2008-02-12 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The C-Terminal Regulatory Domain Is the RNA 5'-Triphosphate Sensor of RIG-I.
Mol.Cell, 29, 2008
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