4CPU
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![BU of 4cpu by Molmil](/molmil-images/mine/4cpu) | Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol | Descriptor: | CHLORIDE ION, PROTEASE, methyl N-[(2S)-1-[2-[[4-[(3S)-3,4-dihydrothiophen-3-yl]phenyl]methyl]-2-[3-[(3Z,8S,11R)-11-oxidanyl-7,10-bis(oxidanylidene)-8-propan-2-yl-6,9-diazabicyclo[11.2.2]heptadeca-1(16),3,13(17),14-tetraen-11-yl]propyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate | Authors: | DeRosa, M, Unge, J, Motwani, H.V, Rosenquist, A, Vrang, L, Wallberg, H, Larhed, M. | Deposit date: | 2014-02-08 | Release date: | 2014-12-17 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Synthesis of P1'-Functionalized Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol. J.Med.Chem., 57, 2014
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4CPX
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![BU of 4cpx by Molmil](/molmil-images/mine/4cpx) | Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol | Descriptor: | CHLORIDE ION, PROTEASE, methyl ~{N}-[(2~{S})-3,3-dimethyl-1-[2-[3-[(3~{R},6~{S},10~{Z})-3-oxidanyl-4,7-bis(oxidanylidene)-6-propan-2-yl-5,8-diazabicyclo[11.2.2]heptadeca-1(16),10,13(17),14-tetraen-3-yl]propyl]-2-[(4-thiophen-2-ylphenyl)methyl]hydrazinyl]-1-oxidanylidene-butan-2-yl]carbamate | Authors: | DeRosa, M, Unge, J, Motwani, H.V, Rosenquist, A, Vrang, L, Wallberg, H, Larhed, M. | Deposit date: | 2014-02-08 | Release date: | 2014-12-17 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Synthesis of P1'-functionalized macrocyclic transition-state mimicking HIV-1 protease inhibitors encompassing a tertiary alcohol. J. Med. Chem., 57, 2014
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4CPW
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![BU of 4cpw by Molmil](/molmil-images/mine/4cpw) | Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol | Descriptor: | CHLORIDE ION, PROTEASE, methyl N-[(2S)-1-[2-[[4-[(3S)-3,4-dihydrothiophen-3-yl]phenyl]methyl]-2-[3-[(3Z,8S,11R)-11-oxidanyl-7,10-bis(oxidanylidene)-8-propan-2-yl-6,9-diazabicyclo[11.2.2]heptadeca-1(16),3,13(17),14-tetraen-11-yl]propyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate | Authors: | DeRosa, M, Unge, J, Motwani, H.V, Rosenquist, A, Vrang, L, Wallberg, H, Larhed, M. | Deposit date: | 2014-02-08 | Release date: | 2014-12-17 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Synthesis of P1'-Functionalized Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol. J.Med.Chem., 57, 2014
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4CPS
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![BU of 4cps by Molmil](/molmil-images/mine/4cps) | Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol | Descriptor: | CHLORIDE ION, PROTEASE, methyl [(2S)-1-(2-{3-[(3R,6S,10Z)-3-hydroxy-4,7-dioxo-6-(propan-2-yl)-5,8-diazabicyclo[11.2.2]heptadeca-1(15),10,13,16-tetraen-3-yl]propyl}-2-[4-(pyridin-3-yl)benzyl]hydrazinyl)-3,3-dimethyl-1-oxobutan-2-yl]carbamate | Authors: | DeRosa, M, Unge, J, Motwani, H.V, Rosenquist, A, Vrang, L, Wallberg, H, Larhed, M. | Deposit date: | 2014-02-08 | Release date: | 2014-12-17 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Synthesis of P1'-Functionalized Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol. J.Med.Chem., 57, 2014
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4CP7
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![BU of 4cp7 by Molmil](/molmil-images/mine/4cp7) | Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol | Descriptor: | CHLORIDE ION, PROTEASE, methyl [(2S)-1-(2-{(4R)-4-hydroxy-5-{[(2S)-3-methyl-1-oxo-1-(prop-2-en-1-ylamino)butan-2-yl]amino}-5-oxo-4-[4-(prop-2-en-1-yl)benzyl]pentyl}-2-[4-(pyridin-4-yl)benzyl]hydrazinyl)-3,3-dimethyl-1-oxobutan-2-yl]carbamate | Authors: | deRosa, M, Unge, J, Motwani, H.V, Rosenquist, A, Vrang, L, Wallberg, H, Larhed, M. | Deposit date: | 2014-01-31 | Release date: | 2014-12-10 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Synthesis of P1'-Functionalized Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol. J.Med.Chem., 57, 2014
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4CPR
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![BU of 4cpr by Molmil](/molmil-images/mine/4cpr) | Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol | Descriptor: | CHLORIDE ION, PROTEASE, methyl ~{N}-[(2~{S})-3,3-dimethyl-1-[2-[(4~{R})-5-[[(2~{S})-3-methyl-1-oxidanylidene-1-(prop-2-enylamino)butan-2-yl]amino]-4-oxidanyl-5-oxidanylidene-4-[(4-prop-2-enylphenyl)methyl]pentyl]-2-[(4-thiophen-2-ylphenyl)methyl]hydrazinyl]-1-oxidanylidene-butan-2-yl]carbamate | Authors: | DeRosa, M, Unge, J, Motwani, H.V, Rosenquist, A, Vrang, L, Wallberg, H, Larhed, M. | Deposit date: | 2014-02-08 | Release date: | 2014-12-17 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Synthesis of P1'-Functionalized Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol. J.Med.Chem., 57, 2014
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4CPT
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![BU of 4cpt by Molmil](/molmil-images/mine/4cpt) | Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol | Descriptor: | CHLORIDE ION, PROTEASE, methyl [(2S)-1-(2-{3-[(3R,6S,10Z)-3-hydroxy-4,7-dioxo-6-(propan-2-yl)-5,8-diazabicyclo[11.2.2]heptadeca-1(15),10,13,16-tetraen-3-yl]propyl}-2-[4-(pyridin-3-yl)benzyl]hydrazinyl)-3,3-dimethyl-1-oxobutan-2-yl]carbamate | Authors: | DeRosa, M, Unge, J, Motwani, H.V, Rosenquist, A, Vrang, L, Wallberg, H, Larhed, M. | Deposit date: | 2014-02-08 | Release date: | 2014-12-17 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Synthesis of P1'-Functionalized Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol. J.Med.Chem., 57, 2014
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4CPQ
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![BU of 4cpq by Molmil](/molmil-images/mine/4cpq) | Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol | Descriptor: | CHLORIDE ION, PROTEASE, methyl [(2S)-1-(2-{(4R)-4-hydroxy-5-{[(2S)-3-methyl-1-oxo-1-(prop-2-en-1-ylamino)butan-2-yl]amino}-5-oxo-4-[4-(prop-2-en-1-yl)benzyl]pentyl}-2-[4-(pyridin-4-yl)benzyl]hydrazinyl)-3,3-dimethyl-1-oxobutan-2-yl]carbamate | Authors: | DeRosa, M, Unge, J, Motwani, H.V, Rosenquist, A, Vrang, L, Wallberg, H, Larhed, M. | Deposit date: | 2014-02-08 | Release date: | 2014-12-17 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Synthesis of P1'-Functionalized Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol. J.Med.Chem., 57, 2014
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4COE
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![BU of 4coe by Molmil](/molmil-images/mine/4coe) | Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol | Descriptor: | CHLORIDE ION, PROTEASE, methyl {(2S)-1-[2-(biphenyl-4-ylmethyl)-2-{(4R)-4-hydroxy-5-{[(2S)-3-methyl-1-oxo-1-(prop-2-en-1-ylamino)butan-2-yl]amino}-5-oxo-4-[4-(prop-2-en-1-yl)benzyl]pentyl}hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | Authors: | DeRosa, M, Unge, J, Motwani, H.V, Rosenquist, A, Vrang, L, Wallberg, H, Larhed, M. | Deposit date: | 2014-01-28 | Release date: | 2014-12-10 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Synthesis of P1'-Functionalized Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol. J.Med.Chem., 57, 2014
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4OJH
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![BU of 4ojh by Molmil](/molmil-images/mine/4ojh) | |
2V2K
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![BU of 2v2k by Molmil](/molmil-images/mine/2v2k) | THE CRYSTAL STRUCTURE OF FDXA, A 7FE FERREDOXIN FROM MYCOBACTERIUM SMEGMATIS | Descriptor: | ACETATE ION, FE3-S4 CLUSTER, FERREDOXIN | Authors: | Ricagno, S, de Rosa, M, Aliverti, A, Zanetti, G, Bolognesi, M. | Deposit date: | 2007-06-06 | Release date: | 2007-07-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Crystal Structure of Fdxa, a 7Fe Ferredoxin from Mycobacterium Smegmatis. Biochem.Biophys.Res.Commun., 360, 2007
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3IRR
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![BU of 3irr by Molmil](/molmil-images/mine/3irr) | Crystal Structure of a Z-Z junction (with HEPES intercalating) | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DNA (5'-D(*A*CP*CP*GP*CP*GP*CP*GP*AP*CP*GP*CP*GP*CP*G)-3'), DNA (5'-D(*G*TP*CP*GP*CP*GP*CP*GP*TP*CP*GP*CP*GP*CP*G)-3'), ... | Authors: | Athanasiadis, A, de Rosa, M. | Deposit date: | 2009-08-24 | Release date: | 2010-05-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Crystal structure of a junction between two Z-DNA helices. Proc.Natl.Acad.Sci.USA, 107, 2010
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3IRQ
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![BU of 3irq by Molmil](/molmil-images/mine/3irq) | Crystal structure of a Z-Z junction | Descriptor: | DNA (5'-D(*AP*CP*CP*GP*CP*GP*CP*GP*AP*CP*GP*CP*GP*CP*G)-3'), DNA (5'-D(*GP*TP*CP*GP*CP*GP*CP*GP*TP*CP*GP*CP*GP*CP*G)-3'), Double-stranded RNA-specific adenosine deaminase | Authors: | Athanasiadis, A, de Rosa, M. | Deposit date: | 2009-08-24 | Release date: | 2010-05-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of a junction between two Z-DNA helices. Proc.Natl.Acad.Sci.USA, 107, 2010
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1CED
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![BU of 1ced by Molmil](/molmil-images/mine/1ced) | THE STRUCTURE OF CYTOCHROME C6 FROM MONORAPHIDIUM BRAUNII, NMR, MINIMIZED AVERAGE STRUCTURE | Descriptor: | CYTOCHROME C6, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Banci, L, Bertini, I, Quacquarini, G, Walter, O, Diaz, A, Hervas, M, De La Rosa, M.A. | Deposit date: | 1996-03-06 | Release date: | 1996-08-17 | Last modified: | 2022-02-16 | Method: | SOLUTION NMR | Cite: | The solution structure of cytochrome c6 from the green alga Monoraphidium braunii J.Biol.Inorg.Chem., 1, 1996
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1TU2
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![BU of 1tu2 by Molmil](/molmil-images/mine/1tu2) | THE COMPLEX OF NOSTOC CYTOCHROME F AND PLASTOCYANIN DETERMIN WITH PARAMAGNETIC NMR. BASED ON THE STRUCTURES OF CYTOCHROME F AND PLASTOCYANIN, 10 STRUCTURES | Descriptor: | Apocytochrome f, COPPER (II) ION, HEME C, ... | Authors: | Diaz-Moreno, I, Diaz-Quintana, A, De la Rosa, M.A, Ubbink, M. | Deposit date: | 2004-06-24 | Release date: | 2005-03-01 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structure of the complex between plastocyanin and cytochrome f from the cyanobacterium Nostoc sp. PCC 7119 as determined by paramagnetic NMR. The balance between electrostatic and hydrophobic interactions within the transient complex determines the relative orientation of the two proteins. J.Biol.Chem., 280, 2005
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2N3Y
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![BU of 2n3y by Molmil](/molmil-images/mine/2n3y) | NMR structure of the Y48pCMF variant of human cytochrome c in its reduced state | Descriptor: | Cytochrome c, Mesoheme | Authors: | Moreno-Beltran, B, Del Conte, R, Diaz-Quintana, A, De la Rosa, M.A, Turano, P, Diaz-Moreno, I. | Deposit date: | 2015-06-15 | Release date: | 2016-12-14 | Last modified: | 2017-04-26 | Method: | SOLUTION NMR | Cite: | Structural basis of mitochondrial dysfunction in response to cytochrome c phosphorylation at tyrosine 48. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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7P2B
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![BU of 7p2b by Molmil](/molmil-images/mine/7p2b) | |
2C7G
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![BU of 2c7g by Molmil](/molmil-images/mine/2c7g) | FprA from Mycobacterium tuberculosis: His57Gln mutant | Descriptor: | 4-OXO-NICOTINAMIDE-ADENINE DINUCLEOTIDE PHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, NADPH-FERREDOXIN REDUCTASE FPRA, ... | Authors: | Pennati, A, Razeto, A, De Rosa, M, Pandini, V, Vanoni, M.A, Aliverti, A, Mattevi, A, Coda, A, Zanetti, G. | Deposit date: | 2005-11-24 | Release date: | 2006-07-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Role of the His57-Glu214 Ionic Couple Located in the Active Site of Mycobacterium Tuberculosis Fpra. Biochemistry, 45, 2006
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6Q9Z
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![BU of 6q9z by Molmil](/molmil-images/mine/6q9z) | Crystal structure of the pathological G167R variant of calcium-free human gelsolin, | Descriptor: | GLYCEROL, Gelsolin, SULFATE ION | Authors: | Boni, F, Scalone, E, Milani, M, Eloise, M, de Rosa, M. | Deposit date: | 2018-12-18 | Release date: | 2019-11-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | The structure of N184K amyloidogenic variant of gelsolin highlights the role of the H-bond network for protein stability and aggregation properties. Eur.Biophys.J., 49, 2020
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6QBF
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![BU of 6qbf by Molmil](/molmil-images/mine/6qbf) | Crystal structure of the pathological D187N variant of calcium-free human gelsolin. | Descriptor: | GLYCEROL, Gelsolin, SODIUM ION, ... | Authors: | Scalone, E, Boni, F, Milani, M, Eloise, M, de Rosa, M. | Deposit date: | 2018-12-21 | Release date: | 2019-11-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.499 Å) | Cite: | The structure of N184K amyloidogenic variant of gelsolin highlights the role of the H-bond network for protein stability and aggregation properties. Eur.Biophys.J., 49, 2020
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6Q9R
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![BU of 6q9r by Molmil](/molmil-images/mine/6q9r) | Crystal structure of the pathological N184K variant of calcium-free human gelsolin | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ... | Authors: | Scalone, E, Boni, F, Milani, M, Eloise, M, de Rosa, M. | Deposit date: | 2018-12-18 | Release date: | 2019-11-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | The structure of N184K amyloidogenic variant of gelsolin highlights the role of the H-bond network for protein stability and aggregation properties. Eur.Biophys.J., 49, 2020
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5O2Z
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![BU of 5o2z by Molmil](/molmil-images/mine/5o2z) | Domain swap dimer of the G167R variant of gelsolin second domain | Descriptor: | ACETATE ION, CALCIUM ION, CITRATE ANION, ... | Authors: | Boni, F, Milani, M, Mastrangelo, E, de Rosa, M. | Deposit date: | 2017-05-23 | Release date: | 2017-11-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Gelsolin pathogenic Gly167Arg mutation promotes domain-swap dimerization of the protein. Hum. Mol. Genet., 27, 2018
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6QW3
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![BU of 6qw3 by Molmil](/molmil-images/mine/6qw3) | Calcium-bound gelsolin domain 2 | Descriptor: | CALCIUM ION, Gelsolin | Authors: | Scalone, E, Boni, F, Milani, M, Mastrangelo, E, de Rosa, M. | Deposit date: | 2019-03-05 | Release date: | 2019-08-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | High-resolution crystal structure of gelsolin domain 2 in complex with the physiological calcium ion. Biochem.Biophys.Res.Commun., 518, 2019
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4HOB
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![BU of 4hob by Molmil](/molmil-images/mine/4hob) | The crystal structure of the Zalpha domain from Cyprinid Herpes virus 3 | Descriptor: | Putative uncharacterized protein, SULFATE ION | Authors: | Tome, A.R, Kus, K, de Rosa, M, Paulo, L.M, Figueiredo, D, Athanasiadis, A. | Deposit date: | 2012-10-22 | Release date: | 2013-09-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Crystal structure of a poxvirus-like zalpha domain from cyprinid herpesvirus 3 J.Virol., 87, 2013
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5CKA
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![BU of 5cka by Molmil](/molmil-images/mine/5cka) | Human beta-2 microglobulin double mutant W60G-N83V | Descriptor: | ACETATE ION, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ... | Authors: | Sala, B.M, De Rosa, M, Bolognesi, M, Ricagno, S. | Deposit date: | 2015-07-15 | Release date: | 2016-05-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Rational design of mutations that change the aggregation rate of a protein while maintaining its native structure and stability. Sci Rep, 6, 2016
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