5FND
 
 | | Dynamic Undocking and the Quasi-Bound State as tools for Drug Design | | Descriptor: | HEAT SHOCK PROTEIN, HSP90-ALPHA, N-(2-AZANYL-6-METHYL-1,3-BENZOTHIAZOL-5-YL)ETHANAMIDE, ... | | Authors: | Ruiz-Carmona, S, Schmidtke, P, Luque, F.J, Baker, L.M, Matassova, N, Davis, B, Roughley, S, Murray, J, Hubbard, R, Barril, X. | | Deposit date: | 2015-11-13 | | Release date: | 2016-11-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Dynamic undocking and the quasi-bound state as tools for drug discovery.
Nat Chem, 9, 2017
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5FNF
 | | Dynamic Undocking and the Quasi-Bound State as tools for Drug Design | | Descriptor: | 4-[(E)-N-oxidanyl-C-pyridin-3-yl-carbonimidoyl]benzene-1,3-diol, HEAT SHOCK PROTEIN, HSP90-ALPHA, ... | | Authors: | Ruiz-Carmona, S, Schmidtke, P, Luque, F.J, Baker, L.M, Matassova, N, Davis, B, Roughley, S, Murray, J, Hubbard, R, Barril, X. | | Deposit date: | 2015-11-13 | | Release date: | 2016-11-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Dynamic undocking and the quasi-bound state as tools for drug discovery.
Nat Chem, 9, 2017
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5FNC
 | | Dynamic Undocking and the Quasi-Bound State as tools for Drug Design | | Descriptor: | 6-CHLORO-4-N-[(4-METHYLPHENYL)METHYL]PYRIMIDINE- 2,4-DIAMINE, HEAT SHOCK PROTEIN, HSP90-ALPHA, ... | | Authors: | Ruiz-Carmona, S, Schmidtke, P, Luque, F.J, Baker, L.M, Matassova, N, Davis, B, Roughley, S, Murray, J, Hubbard, R, Barril, X. | | Deposit date: | 2015-11-13 | | Release date: | 2016-11-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Dynamic undocking and the quasi-bound state as tools for drug discovery.
Nat Chem, 9, 2017
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4B3W
 | | Crystal structure of human cytoglobin H(E7)Q mutant | | Descriptor: | ACETATE ION, CYANIDE ION, CYTOGLOBIN, ... | | Authors: | Gabba, M, Abbruzzetti, S, Spyrakis, F, Forti, F, Bruno, S, Mozzarelli, A, Luque, F.J, Viappiani, C, Cozzini, P, Nardini, M, Germani, F, Bolognesi, M, Moens, L, Dewilde, S. | | Deposit date: | 2012-07-26 | | Release date: | 2013-01-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Co Rebinding Kinetics and Molecular Dynamics Simulations Highlight Dynamic Regulation of Internal Cavities in Human Cytoglobin.
Plos One, 8, 2013
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5AB8
 | | High resolution X-ray structure of the N-terminal truncated form (residues 1-11) of Mycobacterium tuberculosis HbN | | Descriptor: | ACETATE ION, FORMIC ACID, GLYCEROL, ... | | Authors: | Pesce, A, Bustamante, J.P, Bidon-Chanal, A, Boechi, L, Estrin, D.A, Luque, F.J, Sebilo, A, Guertin, M, Bolognesi, M, Ascenzi, P, Nardini, M. | | Deposit date: | 2015-08-04 | | Release date: | 2015-11-04 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | The N-Terminal Pre-A Region of Mycobacterium Tuberculosis 2/2Hbn Promotes No-Dioxygenase Activity.
FEBS J., 283, 2016
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8OUP
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5M6J
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5M6K
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4XMF
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4XMG
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4XMD
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4XME
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4XMH
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4XMC
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1E66
 | | STRUCTURE OF ACETYLCHOLINESTERASE COMPLEXED WITH (-)-HUPRINE X AT 2.1A RESOLUTION | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-CHLORO-9-ETHYL-6,7,8,9,10,11-HEXAHYDRO-7,11-METHANOCYCLOOCTA[B]QUINOLIN-12-AMINE, ACETYLCHOLINESTERASE | | Authors: | Dvir, H, Harel, M, Silman, I, Sussman, J.L. | | Deposit date: | 2000-08-08 | | Release date: | 2001-08-02 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | 3D Structure of Torpedo Californica Acetylcholinesterase Complexed with Huprine X at 2. 1 A Resolution: Kinetic and Molecular Dynamic Correlates.
Biochemistry, 41, 2002
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3G3N
 | | PDE7A catalytic domain in complex with 3-(2,6-difluorophenyl)-2-(methylthio)quinazolin-4(3H)-one | | Descriptor: | 3-(2,6-difluorophenyl)-2-(methylthio)quinazolin-4(3H)-one, High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A, MAGNESIUM ION, ... | | Authors: | Castano, T, Wang, H. | | Deposit date: | 2009-02-02 | | Release date: | 2009-04-28 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Synthesis, structural analysis, and biological evaluation of thioxoquinazoline derivatives as phosphodiesterase 7 inhibitors
Chemmedchem, 4, 2009
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6Q6P
 | | Antarctic fish cytoglobin 1 from D.mawsoni | | Descriptor: | Cytoglobin, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Giordano, D, Pesce, A, Vermeylen, S, Abbruzzetti, S, Nardini, M, Marchesani, F, Berghmans, H, Seira, C, Bruno, S, Luque, F.J, di Prisco, G, Ascenzi, P, Dewilde, S, Bolognesi, M, Viappiani, C, Verde, C. | | Deposit date: | 2018-12-11 | | Release date: | 2020-01-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural and functional properties of Antarctic fish cytoglobins-1: Cold-reactivity in multi-ligand reactions.
Comput Struct Biotechnol J, 18, 2020
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