5C1S
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5CN7
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![BU of 5cn7 by Molmil](/molmil-images/mine/5cn7) | Ultrafast dynamics in myoglobin: 0.2 ps time delay | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I. | Deposit date: | 2015-07-17 | Release date: | 2015-09-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation. Science, 350, 2015
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5CNE
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![BU of 5cne by Molmil](/molmil-images/mine/5cne) | Ultrafast dynamics in myoglobin: 10 ps time delay | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I. | Deposit date: | 2015-07-17 | Release date: | 2015-09-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation. Science, 350, 2015
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5MB5
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5BVQ
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![BU of 5bvq by Molmil](/molmil-images/mine/5bvq) | Ligand-unbound pFABP4 | Descriptor: | fatty acid-binding protein | Authors: | Lee, J.H, Lee, C.W, Do, H. | Deposit date: | 2015-06-05 | Release date: | 2015-08-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for the ligand-binding specificity of fatty acid-binding proteins (pFABP4 and pFABP5) in gentoo penguin Biochem.Biophys.Res.Commun., 465, 2015
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5MHD
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5MNF
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5MNM
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5MNS
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![BU of 5mns by Molmil](/molmil-images/mine/5mns) | Structural and functional characterization of OleP in complex with 6DEB in sodium formate | Descriptor: | 6-DEOXYERYTHRONOLIDE B, Cytochrome P-450, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Parisi, G, Savino, C, Montemiglio, L.C, Vallone, B. | Deposit date: | 2016-12-13 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Substrate-induced conformational change in cytochrome P450 OleP. FASEB J., 33, 2019
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5MOR
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![BU of 5mor by Molmil](/molmil-images/mine/5mor) | Joint X-ray/neutron structure of cationic trypsin in complex with benzylamine | Descriptor: | (phenylmethyl)azanium, CALCIUM ION, Cationic trypsin, ... | Authors: | Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G. | Deposit date: | 2016-12-14 | Release date: | 2018-02-28 | Last modified: | 2024-05-01 | Method: | NEUTRON DIFFRACTION (0.98 Å), X-RAY DIFFRACTION | Cite: | Joint X-ray/neutron structure of cationic trypsin in complex with benzylamine to be published
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5C1M
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![BU of 5c1m by Molmil](/molmil-images/mine/5c1m) | Crystal structure of active mu-opioid receptor bound to the agonist BU72 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R,3S,3aR,5aR,6R,11bR,11cS)-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,6,7,11c-hexahydro-1H-6,11b-(epiminoethano)-3,5a-methanonaphtho[2,1-g]indol-10-ol, CHOLESTEROL, ... | Authors: | Huang, W.J, Manglik, A, Venkatakrishnan, A.J, Laeremans, T, Feinberg, E.N, Sanborn, A.L, Kato, H.E, Livingston, K.E, Thorsen, T.S, Kling, R, Granier, S, Gmeiner, P, Husbands, S.M, Traynor, J.R, Weis, W.I, Steyaert, J, Dror, R.O, Kobilka, B.K. | Deposit date: | 2015-06-15 | Release date: | 2015-08-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Structural insights into mu-opioid receptor activation. Nature, 524, 2015
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5MJC
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![BU of 5mjc by Molmil](/molmil-images/mine/5mjc) | metNeuroglobin under oxygen at 50 bar | Descriptor: | 1,4-DIETHYLENE DIOXIDE, Neuroglobin, OXYGEN MOLECULE, ... | Authors: | Prange, T, Colloc'h, N, Carpentier, P, Vallone, B. | Deposit date: | 2016-11-30 | Release date: | 2017-12-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Ligand pathways in neuroglobin revealed by low-temperature photodissociation and docking experiments. Iucrj, 6, 2019
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5MJV
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![BU of 5mjv by Molmil](/molmil-images/mine/5mjv) | Rebuild and re-refined model for Human Parechovirus 1 | Descriptor: | CAPSID SUBUNIT VP0, CAPSID SUBUNIT VP1, CAPSID SUBUNIT VP3, ... | Authors: | Shakeel, S, Dykeman, E.C, White, S.J, Ora, A, Cockburn, J.J.B, Butcher, S.J, Stockley, P.G, Twarock, R. | Deposit date: | 2016-12-01 | Release date: | 2017-01-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.09 Å) | Cite: | Genomic RNA folding mediates assembly of human parechovirus. Nat Commun, 8, 2017
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5COY
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![BU of 5coy by Molmil](/molmil-images/mine/5coy) | Crystal structure of CC chemokine 5 (CCL5) | Descriptor: | C-C motif chemokine 5, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ... | Authors: | Liang, W.G, Tang, W. | Deposit date: | 2015-07-20 | Release date: | 2016-04-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.443 Å) | Cite: | Structural basis for oligomerization and glycosaminoglycan binding of CCL5 and CCL3. Proc.Natl.Acad.Sci.USA, 113, 2016
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5CP4
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![BU of 5cp4 by Molmil](/molmil-images/mine/5cp4) | CRYOGENIC STRUCTURE OF P450CAM | Descriptor: | CAMPHOR, CYTOCHROME P450CAM, GLYCEROL, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 1998-05-28 | Release date: | 1998-09-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Understanding the role of the essential Asp251 in cytochrome p450cam using site-directed mutagenesis, crystallography, and kinetic solvent isotope effect. Biochemistry, 37, 1998
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5M9S
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![BU of 5m9s by Molmil](/molmil-images/mine/5m9s) | Human angiogenin ALS variant V103I | Descriptor: | Angiogenin, D(-)-TARTARIC ACID | Authors: | Bradshaw, W.J, Rehman, S, Pham, T.T.K, Thiyagarajan, N, Lee, R.L, Subramanian, V, Acharya, K.R. | Deposit date: | 2016-11-02 | Release date: | 2017-02-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural insights into human angiogenin variants implicated in Parkinson's disease and Amyotrophic Lateral Sclerosis. Sci Rep, 7, 2017
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5MAM
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![BU of 5mam by Molmil](/molmil-images/mine/5mam) | Human insulin in complex with serotonin | Descriptor: | CHLORIDE ION, Insulin A chain, Insulin B chain, ... | Authors: | Brzozowski, A.M, Turkenburg, J.P, Jiracek, J, Zakova, L. | Deposit date: | 2016-11-03 | Release date: | 2017-04-05 | Last modified: | 2017-05-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Computational and structural evidence for neurotransmitter-mediated modulation of the oligomeric states of human insulin in storage granules. J. Biol. Chem., 292, 2017
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5MB0
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![BU of 5mb0 by Molmil](/molmil-images/mine/5mb0) | Cocktail experiment A: fragments 63, 267, and 291 in complex with Endothiapepsin | Descriptor: | 2,5-dimethyl-N-(pyridin-4-yl)furan-3-carboxamide, DIMETHYL SULFOXIDE, Endothiapepsin, ... | Authors: | Radeva, N, Heine, A, Klebe, G. | Deposit date: | 2016-11-07 | Release date: | 2017-12-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.149 Å) | Cite: | Comparison of cocktail versus single soaking experimets To Be Published
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5CN6
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![BU of 5cn6 by Molmil](/molmil-images/mine/5cn6) | Ultrafast dynamics in myoglobin: 0.1 ps time delay | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I. | Deposit date: | 2015-07-17 | Release date: | 2015-09-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation. Science, 350, 2015
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5CO9
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5MYB
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![BU of 5myb by Molmil](/molmil-images/mine/5myb) | Homodimerization of Tie2 Fibronectin-like domains 2 and 3 in space group P21 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiopoietin-1 receptor, ... | Authors: | Leppanen, V.-M, Saharinen, P, Alitalo, K. | Deposit date: | 2017-01-26 | Release date: | 2017-04-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis of Tie2 activation and Tie2/Tie1 heterodimerization. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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8JMX
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5MS3
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![BU of 5ms3 by Molmil](/molmil-images/mine/5ms3) | Kallikrein-related peptidase 8 calcium complex | Descriptor: | CALCIUM ION, Kallikrein-8 | Authors: | Debela, M, Magdolen, V, Skala, W, Bode, W, Brandstetter, H, Goettig, P. | Deposit date: | 2016-12-30 | Release date: | 2018-01-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Specificity profiles and antagonistic Ca2+ and Zn2+ regulation of human KLK8/neuropsin activity by modules identified in crystal structures To Be Published
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5MTN
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![BU of 5mtn by Molmil](/molmil-images/mine/5mtn) | Monobody Mb(Lck_1) bound to Lck-Sh2 | Descriptor: | Monobody Mb(Lck_1), SULFATE ION, Tyrosine-protein kinase Lck | Authors: | Pojer, F, Kukenshoner, T, Koide, S, Hantschel, O. | Deposit date: | 2017-01-10 | Release date: | 2017-04-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Selective Targeting of SH2 Domain-Phosphotyrosine Interactions of Src Family Tyrosine Kinases with Monobodies. J. Mol. Biol., 429, 2017
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8JNC
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![BU of 8jnc by Molmil](/molmil-images/mine/8jnc) | Crystal structure of cytochrome P450 IkaD from Streptomyces sp. ZJ306, in complex with the substrate 10-epi-maltophilin | Descriptor: | (1Z,3E,5S,8R,9S,10S,11R,13R,15R,16S,18Z,24S,25S)-11-ethyl-2,24-dihydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.09,13.08,15.05,16]octacosa-1(2),3,18-triene-7,20,27,28-tetraone, Cytochrome P450, FORMIC ACID, ... | Authors: | Zhang, Y.L, Zhang, L.P, Zhang, C.S. | Deposit date: | 2023-06-06 | Release date: | 2023-11-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Mechanistic Understanding of the Distinct Regio- and Chemoselectivity of Multifunctional P450s by Structural Comparison of IkaD and CftA Complexed with Common Substrates. Angew.Chem.Int.Ed.Engl., 62, 2023
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