2K61
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![BU of 2k61 by Molmil](/molmil-images/mine/2k61) | Solution structure of CaM complexed to DAPk peptide | Descriptor: | CALCIUM ION, Calmodulin, TERBIUM(III) ION | Authors: | Bertini, I, Luchinat, C, Parigi, G, Yuan, J. | Deposit date: | 2008-07-02 | Release date: | 2009-05-05 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | Accurate solution structures of proteins from X-ray data and a minimal set of NMR data: calmodulin-peptide complexes as examples. J.Am.Chem.Soc., 131, 2009
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1GQR
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![BU of 1gqr by Molmil](/molmil-images/mine/1gqr) | ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH RIVASTIGMINE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL, ACETYLCHOLINESTERASE, ... | Authors: | Raves, M.L, Harel, M, Silman, I, Sussman, J.L. | Deposit date: | 2001-12-04 | Release date: | 2002-03-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Kinetic and Structural Studies on the Interaction of Cholinesterases with the Anti-Alzheimer Drug Rivastigmine Biochemistry, 41, 2002
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7ATF
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![BU of 7atf by Molmil](/molmil-images/mine/7atf) | Structure of EstD11 in complex with p-Nitrophenol | Descriptor: | ACETATE ION, EstD11, FORMIC ACID, ... | Authors: | Miguel-Ruano, V, Rivera, I, Hermoso, J.A. | Deposit date: | 2020-10-30 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Biochemical and Structural Characterization of a novel thermophilic esterase EstD11 provide catalytic insights for the HSL family. Comput Struct Biotechnol J, 19, 2021
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7AV5
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![BU of 7av5 by Molmil](/molmil-images/mine/7av5) | Structure of EstD11 in complex with Fluorescein | Descriptor: | ACETATE ION, EstD11, FLUORESCIN, ... | Authors: | Miguel-Ruano, V, Rivera, I, Hermoso, J.A. | Deposit date: | 2020-11-04 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Biochemical and Structural Characterization of a novel thermophilic esterase EstD11 provide catalytic insights for the HSL family. Comput Struct Biotechnol J, 19, 2021
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2KDO
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![BU of 2kdo by Molmil](/molmil-images/mine/2kdo) | Structure of the human Shwachman-Bodian-Diamond syndrome protein, SBDS | Descriptor: | Ribosome maturation protein SBDS | Authors: | de Oliveira, J.F, Sforca, M.L, Blumenschein, T, Guimaraes, B.G, Zanchin, N.I.T, Zeri, A.C. | Deposit date: | 2009-01-14 | Release date: | 2010-01-19 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | Structure, dynamics, and RNA interaction analysis of the human SBDS protein. J.Mol.Biol., 396, 2010
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7AT0
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![BU of 7at0 by Molmil](/molmil-images/mine/7at0) | |
7AUY
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![BU of 7auy by Molmil](/molmil-images/mine/7auy) | |
7ATQ
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![BU of 7atq by Molmil](/molmil-images/mine/7atq) | Structure of EstD11 in complex with cyclohexane carboxylic acid | Descriptor: | ACETATE ION, EstD11, FORMIC ACID, ... | Authors: | Miguel-Ruano, V, Rivera, I, Hermoso, J.A. | Deposit date: | 2020-10-30 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Biochemical and Structural Characterization of a novel thermophilic esterase EstD11 provide catalytic insights for the HSL family. Comput Struct Biotechnol J, 19, 2021
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1H23
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![BU of 1h23 by Molmil](/molmil-images/mine/1h23) | Structure of acetylcholinesterase (E.C. 3.1.1.7) complexed with (S,S)-(-)-bis(12)-hupyridone at 2.15A resolution | Descriptor: | (S,S)-(-)-N,N'-DI-5'-[5',6',7',8'-TETRAHYDRO- 2'(1'H)-QUINOLYNYL]-1,12-DIAMINODODECANE DIHYDROCHLORIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE | Authors: | Wong, D.M, Greenblatt, H.M, Carlier, P.R, Han, Y.F, Pang, Y.P, Silman, I, Sussman, J.L. | Deposit date: | 2002-07-30 | Release date: | 2002-12-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Acetylcholinesterase Complexed with Bivalent Ligands Related to Huperzine A: Experimental Evidence for Species-Dependent Protein-Ligand Complementarity J.Am.Chem.Soc., 125, 2003
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7AT3
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![BU of 7at3 by Molmil](/molmil-images/mine/7at3) | Structure of EstD11 in complex with Naproxen and methanol | Descriptor: | (2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid, EstD11, FORMIC ACID, ... | Authors: | Miguel-Ruano, V, Rivera, I, Hermoso, J.A. | Deposit date: | 2020-10-28 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Biochemical and Structural Characterization of a novel thermophilic esterase EstD11 provide catalytic insights for the HSL family. Comput Struct Biotechnol J, 19, 2021
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7ATD
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![BU of 7atd by Molmil](/molmil-images/mine/7atd) | Structure of inactive EstD11 S144A in complex with methyl-naproxen | Descriptor: | ACETATE ION, EstD11 S144A, FORMIC ACID, ... | Authors: | Miguel-Ruano, V, Rivera, I, Hermoso, J.A. | Deposit date: | 2020-10-29 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Biochemical and Structural Characterization of a novel thermophilic esterase EstD11 provide catalytic insights for the HSL family. Comput Struct Biotechnol J, 19, 2021
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2KDG
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![BU of 2kdg by Molmil](/molmil-images/mine/2kdg) | Solution Structure of the 1st Ig domain of Myotilin | Descriptor: | Myotilin | Authors: | Heikkinen, O, Kilpelainen, I, Permi, P, Koskela, H, Ylanne, J, Carpen, O. | Deposit date: | 2009-01-08 | Release date: | 2009-07-21 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of the first immunoglobulin domain of human myotilin J.Biomol.Nmr, 44, 2009
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2K6W
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![BU of 2k6w by Molmil](/molmil-images/mine/2k6w) | Solution structures of apo PCuA (trans conformation of the peptide bond involving the nitrogen of P14) | Descriptor: | Putative uncharacterized protein TTHA1943 | Authors: | Abriata, L.A, Banci, L, Bertini, I, Ciofi-Baffoni, S, Gkazonis, P, Spyroulias, G.A, Vila, A.J, Wang, S. | Deposit date: | 2008-07-28 | Release date: | 2008-09-09 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Mechanism of Cu(A) assembly. Nat.Chem.Biol., 4, 2008
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4M4Y
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![BU of 4m4y by Molmil](/molmil-images/mine/4m4y) | |
6PH2
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![BU of 6ph2 by Molmil](/molmil-images/mine/6ph2) | Complete LOV domain from the LOV-HK sensory protein from Brucella abortus (mutant C69S, construct 15-155) | Descriptor: | Blue-light-activated histidine kinase, FLAVIN MONONUCLEOTIDE | Authors: | Rinaldi, J, Otero, L.H, Fernandez, I, Goldbaum, F.A, Shin, H, Yang, X, Klinke, S. | Deposit date: | 2019-06-25 | Release date: | 2020-12-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Dimer Asymmetry and Light Activation Mechanism in Brucella Blue-Light Sensor Histidine Kinase. Mbio, 12, 2021
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2K6V
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![BU of 2k6v by Molmil](/molmil-images/mine/2k6v) | Solution structures of apo Sco1 protein from Thermus Thermophilus | Descriptor: | Putative cytochrome c oxidase assembly protein | Authors: | Abriata, L.A, Banci, L, Bertini, I, Ciofi-Baffoni, S, Gkazonis, P, Spyroulias, G.A, Vila, A.J, Wang, S. | Deposit date: | 2008-07-28 | Release date: | 2008-09-09 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Mechanism of Cu(A) assembly. Nat.Chem.Biol., 4, 2008
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2K9C
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![BU of 2k9c by Molmil](/molmil-images/mine/2k9c) | Paramagnetic shifts in solid-state NMR of Proteins to elicit structural information | Descriptor: | COBALT (II) ION, Macrophage metalloelastase | Authors: | Balayssac, S, Bertini, I, Bhaumik, A, Lelli, M, Luchinat, C. | Deposit date: | 2008-10-08 | Release date: | 2008-11-18 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Paramagnetic shifts in solid-state NMR of proteins to elicit structural information Proc.Natl.Acad.Sci.Usa, 105, 2008
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2KM2
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![BU of 2km2 by Molmil](/molmil-images/mine/2km2) | Galectin-1 dimer | Descriptor: | Galectin-1 | Authors: | Nesmelova, I.V, Ermakova, E, Daragan, V.A, Pang, M, Baum, L.G, Mayo, K.H. | Deposit date: | 2009-07-16 | Release date: | 2010-04-14 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Lactose binding to galectin-1 modulates structural dynamics, increases conformational entropy, and occurs with apparent negative cooperativity. J.Mol.Biol., 397, 2010
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2K6Y
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![BU of 2k6y by Molmil](/molmil-images/mine/2k6y) | Solution structures of apo form PCuA (cis conformation of the peptide bond involving the nitrogen of P14) | Descriptor: | Putative uncharacterized protein TTHA1943 | Authors: | Abriata, L.A, Banci, L, Bertini, I, Ciofi-Baffoni, S, Gkazonis, P, Spyroulias, G.A, Vila, A.J, Wang, S. | Deposit date: | 2008-07-28 | Release date: | 2008-09-09 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Mechanism of Cu(A) assembly. Nat.Chem.Biol., 4, 2008
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7AEG
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![BU of 7aeg by Molmil](/molmil-images/mine/7aeg) | SARS-CoV-2 main protease in a covalent complex with SDZ 224015 derivative, compound 5 | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(benzyloxy)carbonyl]-L-valyl-N-[(1S)-1-(carboxymethyl)-3-fluoro-2-oxopropyl]-L-alaninamide | Authors: | Owen, C.D, Redhead, M.A, Lukacik, P, Strain-Damerell, C, Fearon, D, Brewitz, L, Collette, A, Robinson, C, Collins, P, Radoux, C, Navratilova, I, Douangamath, A, von Delft, F, Malla, T.R, Nugen, T, Hull, H, Tumber, A, Schofield, C.J, Hallet, D, Stuart, D.I, Hopkins, A.L, Walsh, M.A. | Deposit date: | 2020-09-17 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Bispecific repurposed medicines targeting the viral and immunological arms of COVID-19. Sci Rep, 11, 2021
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7AEH
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![BU of 7aeh by Molmil](/molmil-images/mine/7aeh) | SARS-CoV-2 main protease in a covalent complex with a pyridine derivative of ABT-957, compound 1 | Descriptor: | (2~{R})-5-oxidanylidene-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]-1-(phenylmethyl)pyrrolidine-2-carboxamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | Authors: | Owen, C.D, Redhead, M.A, Lukacik, P, Strain-Damerell, C, Fearon, D, Brewitz, L, Collette, A, Robinson, C, Collins, P, Radoux, C, Navratilova, I, Douangamath, A, von Delft, F, Malla, T.R, Nugen, T, Hull, H, Tumber, A, Schofield, C.J, Hallet, D, Stuart, D.I, Hopkins, A.L, Walsh, M.A. | Deposit date: | 2020-09-17 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Bispecific repurposed medicines targeting the viral and immunological arms of COVID-19. Sci Rep, 11, 2021
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2KLK
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![BU of 2klk by Molmil](/molmil-images/mine/2klk) | Solution structure of GB1 A34F mutant with RDC and SAXS | Descriptor: | IMMUNOGLOBULIN G-BINDING PROTEIN G | Authors: | Wang, J, Zuo, X, Yu, P, Byeon, I.L, Jung, J, Schwieters, C.D, Gronenborn, A.M, Wang, Y. | Deposit date: | 2009-07-06 | Release date: | 2009-10-06 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR, SOLUTION SCATTERING | Cite: | Determination of multicomponent protein structures in solution using global orientation and shape restraints. J.Am.Chem.Soc., 131, 2009
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2KDI
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![BU of 2kdi by Molmil](/molmil-images/mine/2kdi) | Solution structure of a Ubiquitin/UIM fusion protein | Descriptor: | Ubiquitin, Vacuolar protein sorting-associated protein 27 fusion protein | Authors: | Sgourakis, N.G, Patel, M.M, Garcia, A.E, Makhatadze, G.I, McCallum, S.A. | Deposit date: | 2009-01-09 | Release date: | 2010-02-09 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | Conformational Dynamics and Structural Plasticity Play Critical Roles in the Ubiquitin Recognition of a UIM Domain. J.Mol.Biol., 396, 2010
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2KFB
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![BU of 2kfb by Molmil](/molmil-images/mine/2kfb) | The structure of the cataract causing P23T mutant of human gamma-D crystallin | Descriptor: | Gamma-crystallin D | Authors: | Jung, J, Byeon, I.L, Wang, Y, King, J, Gronenborn, A.M. | Deposit date: | 2009-02-12 | Release date: | 2009-07-28 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The structure of the cataract-causing P23T mutant of human gammaD-crystallin exhibits distinctive local conformational and dynamic changes. Biochemistry, 48, 2009
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2KL2
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![BU of 2kl2 by Molmil](/molmil-images/mine/2kl2) | NMR solution structure of A2LD1 (gi:13879369) | Descriptor: | AIG2-like domain-containing protein 1 | Authors: | Pedrini, B, Serrano, P, Mohanty, B, Geralt, M, Herrmann, T, Wuthrich, K, Wilson, I, Joint Center for Structural Genomics (JCSG) | Deposit date: | 2009-06-30 | Release date: | 2009-07-14 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | Comparison of NMR and crystal structures highlights conformational isomerism in protein active sites. Acta Crystallogr.,Sect.F, 66, 2010
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