7BMP
 
 | | HEWL in cesium chloride (0.25 M CsCl in protein buffer and cryo protectant). | | Descriptor: | 1,2-ETHANEDIOL, CESIUM ION, CHLORIDE ION, ... | | Authors: | Koelmel, W, Kuper, J, Kisker, C. | | Deposit date: | 2021-01-20 | | Release date: | 2021-10-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Cesium based phasing of macromolecules: a general easy to use approach for solving the phase problem.
Sci Rep, 11, 2021
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7TLX
 | | Crystal Structure of cytochrome c from Pseudomonas putida S16 | | Descriptor: | C-type cytochrome, HEME C | | Authors: | Wu, K, Dulchavsky, M, Stull, F, Bardwell, J.C.A. | | Deposit date: | 2022-01-19 | | Release date: | 2022-04-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The enzyme pseudooxynicotine amine oxidase from Pseudomonas putida S16 is not an oxidase, but a dehydrogenase.
J.Biol.Chem., 298, 2022
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5VCU
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5VD1
 | | CRYSTAL STRUCTURE OF HUMAN MYT1 KINASE DOMAIN IN COMPLEX WITH PHA-848125 | | Descriptor: | DI(HYDROXYETHYL)ETHER, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase, N,1,4,4-TETRAMETHYL-8-{[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]AMINO}-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE | | Authors: | Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2017-04-01 | | Release date: | 2017-08-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Basis of Wee Kinases Functionality and Inactivation by Diverse Small Molecule Inhibitors.
J. Med. Chem., 60, 2017
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7BMR
 | | HEWL in cesium chloride (0.25 M CsCl in protein buffer and 1.71 M CsCl in cryo protectant) | | Descriptor: | 1,2-ETHANEDIOL, CESIUM ION, CHLORIDE ION, ... | | Authors: | Koelmel, W, Kuper, J, Kisker, C. | | Deposit date: | 2021-01-20 | | Release date: | 2021-10-06 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Cesium based phasing of macromolecules: a general easy to use approach for solving the phase problem.
Sci Rep, 11, 2021
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7BMQ
 | | HEWL in cesium chloride (1.71 M CsCl in cryo protectant) | | Descriptor: | 1,2-ETHANEDIOL, CESIUM ION, CHLORIDE ION, ... | | Authors: | Koelmel, W, Kuper, J, Kisker, C. | | Deposit date: | 2021-01-20 | | Release date: | 2021-10-06 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Cesium based phasing of macromolecules: a general easy to use approach for solving the phase problem.
Sci Rep, 11, 2021
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7BMT
 | | HEWL in sodium chloride | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme, ... | | Authors: | Koelmel, W, Kuper, J, Kisker, C. | | Deposit date: | 2021-01-20 | | Release date: | 2021-10-06 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Cesium based phasing of macromolecules: a general easy to use approach for solving the phase problem.
Sci Rep, 11, 2021
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5VEF
 | | PAK4 kinase domain in complex with fasudil | | Descriptor: | 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE, ACETATE ION, Serine/threonine-protein kinase PAK 4 | | Authors: | Zhang, E.Y, Ha, B.H, Boggon, T.J. | | Deposit date: | 2017-04-04 | | Release date: | 2017-10-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.752 Å) | | Cite: | PAK4 crystal structures suggest unusual kinase conformational movements.
Biochim. Biophys. Acta, 1866, 2018
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7BB1
 | | Lysozyme crystallized in the presence of the hydrated deep eutectic solvent Choline chloride-Glutamic acid 2:1 | | Descriptor: | ACETATE ION, CHLORIDE ION, CHOLINE ION, ... | | Authors: | Belviso, B.D, Caliandro, R, Carrozzini, B. | | Deposit date: | 2020-12-16 | | Release date: | 2021-10-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Introducing Protein Crystallization in Hydrated Deep Eutectic Solvents
Acs Sustain Chem Eng, 9, 2021
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4PDP
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7B9J
 | | Lysozyme crystallized in the presence of the hydrated deep eutectic solvent Choline chloride-Urea 1:2 | | Descriptor: | ACETATE ION, CHLORIDE ION, CHOLINE ION, ... | | Authors: | Belviso, B.D, Caliandro, R, Carrozzini, B. | | Deposit date: | 2020-12-14 | | Release date: | 2021-10-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Introducing Protein Crystallization in Hydrated Deep Eutectic Solvents
Acs Sustain Chem Eng, 9, 2021
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6JB8
 | | Crystal structure of nanobody D3-L11 in complex with hen egg-white lysozyme | | Descriptor: | CHLORIDE ION, GLYCEROL, Lysozyme C, ... | | Authors: | Caaveiro, J.M.M, Tamura, H, Akiba, H, Tsumoto, K. | | Deposit date: | 2019-01-25 | | Release date: | 2019-11-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural and thermodynamic basis for the recognition of the substrate-binding cleft on hen egg lysozyme by a single-domain antibody.
Sci Rep, 9, 2019
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8GLY
 | | Crystal structure of T252E-CYP199A4 in complex with 4-hydroxybenzoic acid | | Descriptor: | CHLORIDE ION, Cytochrome P450, P-HYDROXYBENZOIC ACID, ... | | Authors: | Lee, J.H.Z, Bruning, J.B, Bell, S.G. | | Deposit date: | 2023-03-23 | | Release date: | 2024-02-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | An In Crystallo Reaction with an Engineered Cytochrome P450 Peroxygenase.
Chemistry, 30, 2024
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7BAZ
 | | Lysozyme crystallized in the presence of the hydrated deep eutectic solvent Choline chloride-Glycerol 1:2 | | Descriptor: | ACETATE ION, CHLORIDE ION, CHOLINE ION, ... | | Authors: | Belviso, B.D, Caliandro, R, Carrozzini, B. | | Deposit date: | 2020-12-16 | | Release date: | 2021-10-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Introducing Protein Crystallization in Hydrated Deep Eutectic Solvents
Acs Sustain Chem Eng, 9, 2021
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7TUY
 | | Cryo-EM structure of GSK682753A-bound EBI2/GPR183 | | Descriptor: | 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one, G-protein coupled receptor 183,Soluble cytochrome b562 fusion, anti-BRIL Fab Heavy chain, ... | | Authors: | Chen, H, Huang, W, Li, X. | | Deposit date: | 2022-02-03 | | Release date: | 2022-04-13 | | Last modified: | 2022-07-20 | | Method: | ELECTRON MICROSCOPY (2.98 Å) | | Cite: | Structures of oxysterol sensor EBI2/GPR183, a key regulator of the immune response.
Structure, 30, 2022
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7BBT
 | | Structure of cytochrome c in complex with a p-benzyl-sulfonato-calix[8]arene-PEG pseudorotaxane | | Descriptor: | 4-[[49,50,51,52,53,54,55,56-octahydroxy-11,17,23,29,35,41,47-heptakis[(4-sulfonatophenyl)methyl]-5-nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosaenyl]methyl]benzenesulfonate, Cytochrome c iso-1, HEME C, ... | | Authors: | Mockler, N.M, Ramberg, K, Guagnini, F, Raston, C.L, Crowley, P.B. | | Deposit date: | 2020-12-18 | | Release date: | 2021-10-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.023 Å) | | Cite: | Noncovalent Protein-Pseudorotaxane Assembly Incorporating an Extended Arm Calix[8]arene with alpha-Helical Recognition Properties.
Cryst.Growth Des., 21, 2021
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6B0S
 | | Crystal structure of circumsporozoite protein aTSR domain in complex with 1710 antibody | | Descriptor: | 1710 antibody, heavy chain, light chain, ... | | Authors: | Scally, S.W, Murugan, R, Bosch, A, Triller, G, Wardemann, H, Julien, J.P. | | Deposit date: | 2017-09-15 | | Release date: | 2017-11-08 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Rare PfCSP C-terminal antibodies induced by live sporozoite vaccination are ineffective against malaria infection.
J. Exp. Med., 215, 2018
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5VIO
 | | Crystal structure of ASK1 kinase domain with a potent inhibitor (analog 13) | | Descriptor: | 4-methoxy-N~1~-methyl-N~3~-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}benzene-1,3-dicarboxamide, Mitogen-activated protein kinase kinase kinase 5 | | Authors: | Jasti, J, Chang, J, Kurumbail, R. | | Deposit date: | 2017-04-17 | | Release date: | 2018-01-17 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Rational approach to highly potent and selective apoptosis signal-regulating kinase 1 (ASK1) inhibitors.
Eur J Med Chem, 145, 2017
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4PFO
 | | Myosin VI motor domain in the Pi release state, space group P212121 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Isabet, T, Benisty, H, Llinas, P, Sweeney, H.L, Houdusse, A. | | Deposit date: | 2014-04-30 | | Release date: | 2015-04-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | How actin initiates the motor activity of Myosin.
Dev.Cell, 33, 2015
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5VNU
 | | Nonheme Iron Replacement in a Biosynthetic Nitric Oxide Reductase Model Performing O2 Reduction to Water: Mn-bound FeBMb | | Descriptor: | MANGANESE (II) ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Reed, J, Shi, Y, Zhu, Q, Chakraborty, S, Mirs, E.N, Petrik, I.D, Bhagi-Damodaran, A, Ross, M, Moenne-Loccoz, P, Zhang, Y, Lu, Y. | | Deposit date: | 2017-05-01 | | Release date: | 2017-08-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.584 Å) | | Cite: | Manganese and Cobalt in the Nonheme-Metal-Binding Site of a Biosynthetic Model of Heme-Copper Oxidase Superfamily Confer Oxidase Activity through Redox-Inactive Mechanism.
J. Am. Chem. Soc., 139, 2017
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6IYH
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8GM1
 | | Crystal structure of T252E-CYP199A4 in complex with 4-methoxybenzoic acid soaked with 1 mM hydrogen peroxide | | Descriptor: | 4-METHOXYBENZOIC ACID, CHLORIDE ION, Cytochrome P450, ... | | Authors: | Lee, J.H.Z, Bruning, J.B, Bell, S.G. | | Deposit date: | 2023-03-24 | | Release date: | 2024-02-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | An In Crystallo Reaction with an Engineered Cytochrome P450 Peroxygenase.
Chemistry, 30, 2024
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6B2Q
 | | Dual Inhibition of the Essential Protein Kinases A and B in Mycobacterium tuberculosis | | Descriptor: | 3-methyl-1-(2-methylpropyl)butyl 4-O-beta-L-gulopyranosyl-beta-D-glucopyranoside, 5-{5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}thiophene-2-sulfonamide, Serine/threonine-protein kinase PknA | | Authors: | Zuccola, H.J. | | Deposit date: | 2017-09-20 | | Release date: | 2018-02-14 | | Method: | X-RAY DIFFRACTION (2.88 Å) | | Cite: | Mtb PKNA/PKNB Dual Inhibition Provides Selectivity Advantages for Inhibitor Design To Minimize Host Kinase Interactions.
ACS Med Chem Lett, 8, 2017
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4PPO
 | | First Crystal Structure for an Oxaliplatin-Protein Complex | | Descriptor: | 1,2-ETHANEDIOL, CYCLOHEXANE-1(R),2(R)-DIAMINE-PLATINUM(II), Lysozyme C, ... | | Authors: | Messori, L, Merlino, A. | | Deposit date: | 2014-02-27 | | Release date: | 2015-01-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | The X-ray structure of the complex formed in the reaction between oxaliplatin and lysozyme.
Chem.Commun.(Camb.), 50, 2014
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6B3F
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