6E8F
 
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3NK8
 | | Trypsin in complex with fluorine-containing fragment | | Descriptor: | 4-(trifluoromethyl)-1,5,6,7-tetrahydro-2H-cyclopenta[b]pyridin-2-one, CALCIUM ION, Cationic trypsin, ... | | Authors: | Schiering, N, Vulpetti, A, Dalvit, C. | | Deposit date: | 2010-06-18 | | Release date: | 2010-11-10 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Combined use of computational chemistry, NMR screening, and X-ray crystallography for identification and characterization of fluorophilic protein environments.
Proteins, 78, 2010
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3NG6
 | | The crystal structure of hemoglobin I from Trematomus newnesi in deoxygenated state obtained through an oxidation/reduction cycle in which potassium hexacyanoferrate and sodium dithionite were alternatively added | | Descriptor: | Hemoglobin subunit alpha-1, Hemoglobin subunit beta-1/2, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Vergara, A, Vitagliano, L, Merlino, A, Sica, F, Marino, K, Mazzarella, L. | | Deposit date: | 2010-06-11 | | Release date: | 2010-07-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | An order-disorder transition plays a role in switching off the root effect in fish hemoglobins.
J.Biol.Chem., 285, 2010
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6ER7
 | | CHEMOTAXIS PROTEIN CHEY FROM Pyrococcus horikoshiI | | Descriptor: | 120aa long hypothetical chemotaxis protein (CheY) | | Authors: | Paithankar, K.S, Enderle, M.E, Wirthensohn, D, Grininger, M, Oesterhelt, D. | | Deposit date: | 2017-10-17 | | Release date: | 2018-10-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Structure of the archaeal chemotaxis protein CheY in a domain-swapped dimeric conformation.
Acta Crystallogr.,Sect.F, 75, 2019
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4CPO
 | | Structure of the Neuraminidase from the B/Lyon/CHU/15.216/2011 virus | | 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: | Vachieri, S.G, Collins, P.J, Escuret, V, Casalegno, J.S, Cattle, N, Ferraris, O, Sabatier, M, Frobert, E, Caro, V, Skehel, J.J, Gamblin, S.J, Valla, F, Valette, M, Ottmann, M, McCauley, J.W, Daniels, R.S, Lina, B. | | Deposit date: | 2014-02-08 | | Release date: | 2014-05-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A Novel I221 L Substitution in Neuraminidase Confers High Level Resistance to Oseltamivir in Influenza B Viruses.
J.Infect.Dis., 210, 2014
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4CPY
 | | Structure of the Neuraminidase from the B/Lyon/CHU/15.216/2011 virus in complex with Oseltamivir | | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Vachieri, S.G, Collins, P.J, Escuret, V, Casalegno, J.S, Cattle, N, Ferraris, O, Sabatier, M, Frobert, E, Caro, V, Skehel, J.J, Gamblin, S.J, Valla, F, Valette, M, Ottmann, M, McCauley, J.W, Daniels, R.S, Lina, B. | | Deposit date: | 2014-02-09 | | Release date: | 2014-05-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A Novel I221 L Substitution in Neuraminidase Confers High Level Resistance to Oseltamivir in Influenza B Viruses.
J.Infect.Dis., 210, 2014
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3NKV
 | | Crystal structure of Rab1b covalently modified with AMP at Y77 | | Descriptor: | ADENOSINE MONOPHOSPHATE, BARIUM ION, MAGNESIUM ION, ... | | Authors: | Mueller, M.P, Peters, H, Blankenfeldt, W, Goody, R.S, Itzen, A. | | Deposit date: | 2010-06-21 | | Release date: | 2010-08-04 | | Last modified: | 2017-08-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Legionella effector protein DrrA AMPylates the membrane traffic regulator Rab1b.
Science, 329, 2010
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6EAV
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6EB5
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6E5W
 | | Crystal structure of human cellular retinol binding protein 3 in complex with abnormal-cannabidiol (abn-CBD) | | Descriptor: | (1'R,2'R)-5'-methyl-6-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol, GLYCEROL, Retinol-binding protein 5 | | Authors: | Silvaroli, J.A, Banerjee, S, Kiser, P.D, Golczak, M. | | Deposit date: | 2018-07-23 | | Release date: | 2019-02-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Abnormal Cannabidiol Modulates Vitamin A Metabolism by Acting as a Competitive Inhibitor of CRBP1.
Acs Chem.Biol., 14, 2019
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3NMM
 | | Human Hemoglobin A mutant alpha H58W deoxy-form | | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Birukou, I, Soman, J, Olson, J.S. | | Deposit date: | 2010-06-22 | | Release date: | 2010-07-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Blocking the gate to ligand entry in human hemoglobin.
J.Biol.Chem., 286, 2011
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4D8S
 | | Influenza NA in complex with antiviral compound | | Descriptor: | CALCIUM ION, Neuraminidase, pentan-3-yl 2-acetamido-2,4-dideoxy-alpha-L-threo-hex-4-enopyranosiduronic acid | | Authors: | Kerry, P.S, Russell, R.J.M.R. | | Deposit date: | 2012-01-11 | | Release date: | 2013-02-13 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.398 Å) | | Cite: | Exploring the interactions of unsaturated glucuronides with influenza virus sialidase.
J.Med.Chem., 55, 2012
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7D6L
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6E8K
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3N9A
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3N7Y
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6E8Q
 | | S. CEREVISIAE CYP51 COMPLEXED WITH Posaconazole | | Descriptor: | DODECYL-BETA-D-MALTOSIDE, Lanosterol 14-alpha demethylase, PENTAETHYLENE GLYCOL, ... | | Authors: | Tyndall, J.D, Keniya, M.V, Sabherwal, M, Monk, B.C. | | Deposit date: | 2018-07-30 | | Release date: | 2018-09-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Azole Resistance Reduces Susceptibility to the Tetrazole Antifungal VT-1161.
Antimicrob. Agents Chemother., 63, 2019
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3N9C
 | | Mite-y Lysozyme: Marmite | | Descriptor: | CHLORIDE ION, Lysozyme C | | Authors: | Newman, J, Peat, T.S. | | Deposit date: | 2010-05-28 | | Release date: | 2011-06-08 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Mite-y Lysozyme Crystals and Structures
To be Published
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6EAW
 | | Crystallographic structure of the cyclic heptapeptide derived from the BTCI inhibitor bound to beta-trypsin in space group P 21 21 21 | | Descriptor: | CALCIUM ION, CYS-THR-LYS-SER-ILE, Cationic trypsin, ... | | Authors: | Fernandes, J.C, Valadares, N.F, Freitas, S.M, Barbosa, J.A.R.G. | | Deposit date: | 2018-08-03 | | Release date: | 2019-08-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.289 Å) | | Cite: | Crystallographic structure of the cyclic heptapeptide derived from the BTCI inhibitor bound to beta-trypsin in space group P 21 21 21
To Be Published
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6EB7
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4C9L
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6ECJ
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4BMM
 | | Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-2',3, 5'-trifluoro-(1,1'-biphenyl)-4-carboxamide | | Descriptor: | 4-[2,5-bis(fluoranyl)phenyl]-2-fluoranyl-N-[(2R)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]benzamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE | | Authors: | Choi, J.Y, Calvet, C.M, Gunatilleke, S.S, Roush, W.R, McKerrow, J.H, Podust, L.M. | | Deposit date: | 2013-05-09 | | Release date: | 2014-06-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | 4-Aminopyridyl-Based Cyp51 Inhibitors as Anti-Trypanosoma Cruzi Drug Leads with Improved Pharmacokinetic Profile and in Vivo Potency.
J.Med.Chem., 57, 2014
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3NH9
 | | Nucleotide Binding Domain of Human ABCB6 (ATP bound structure) | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family B member 6, mitochondrial, ... | | Authors: | Haffke, M, Menzel, A, Carius, Y, Jahn, D, Heinz, D.W. | | Deposit date: | 2010-06-14 | | Release date: | 2010-08-25 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structures of the nucleotide-binding domain of the human ABCB6 transporter and its complexes with nucleotides.
Acta Crystallogr.,Sect.D, 66, 2010
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7DPQ
 | | HIV-1 Protease D30N mutant | | Descriptor: | Protease | | Authors: | Bihani, S.C, Hosur, M.V. | | Deposit date: | 2020-12-21 | | Release date: | 2021-11-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Molecular basis for reduced cleavage activity and drug resistance in D30N HIV-1 protease.
J.Biomol.Struct.Dyn., 2021
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