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3A0G
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BU of 3a0g by Molmil
Crystal structure analysis of guinea pig oxyhemoglobin at 2.5 angstroms resolution
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, OXYGEN MOLECULE, ...
Authors:Etti, S, Shanmugam, G, Karthe, P, Gunasekaran, K.
Deposit date:2009-03-17
Release date:2010-03-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure analysis of guinea pig oxyhemoglobin at 2.5 angstroms resolution
to be published
6HZ2
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BU of 6hz2 by Molmil
SOLUTION NMR STRUCTURE OF MAXIMIN 3 IN 50% TRIFLUOROETHANOL
Descriptor: Maximins 3/H11 type 2
Authors:Benetti, S, Timmons, P.B, Hewage, C.M.
Deposit date:2018-10-22
Release date:2019-02-20
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:NMR model structure of the antimicrobial peptide maximin 3.
Eur.Biophys.J., 48, 2019
3WR1
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BU of 3wr1 by Molmil
Crystal structure of Cormorant (Phalacrocorax carbo) hemoglobin
Descriptor: Hemoglobin subunit alpha-A, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE
Authors:Jagadeesan, G, Vinodh Kumar, V, Peters, H.G, Malathy, P, Harikrishna Etti, S, Gunasekaran, K, Aravindhan, S.
Deposit date:2014-02-09
Release date:2014-03-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Crystal structure of Cormorant (Phalacrocorax carbo) hemoglobin
To be Published
3FAL
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BU of 3fal by Molmil
humanRXR alpha & mouse LXR alpha complexed with Retenoic acid and GSK2186
Descriptor: 2-{4-[butyl(3-chloro-4,5-dimethoxybenzyl)amino]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol, Oxysterols receptor LXR-alpha, RETINOIC ACID, ...
Authors:Chao, E.Y, Caravella, J.A, Watson, M.A, Campobasso, N, Ghisletti, S, Billin, A.N, Galardi, C, Willson, T.M, Zuercher, W.J, Collins, J.L.
Deposit date:2008-11-17
Release date:2009-04-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Structure-guided design of N-phenyl tertiary amines as transrepression-selective liver X receptor modulators with anti-inflammatory activity.
J.Med.Chem., 51, 2008
6TI9
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BU of 6ti9 by Molmil
Human transthyretin (TTR) complexed with (E)-3-(((3,5-dibromo-2-hydroxybenzylidene)amino)oxy)propanoic acid.
Descriptor: 3-[(~{E})-[3,5-bis(bromanyl)-2-oxidanyl-phenyl]methylideneamino]oxypropanoic acid, GLYCEROL, S-1,2-PROPANEDIOL, ...
Authors:Ciccone, L, Nencetti, S, Orlandini, E, Rossello, A, Legrand, P, Shepard, W.
Deposit date:2019-11-22
Release date:2020-10-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Monoaryl derivatives as transthyretin fibril formation inhibitors: Design, synthesis, biological evaluation and structural analysis.
Bioorg.Med.Chem., 28, 2020
6TJN
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BU of 6tjn by Molmil
Human transthyretin (TTR) complexed with (E)-3-(((4-hydroxybenzylidene)amino)oxy)propanoic acid
Descriptor: 3-[(~{E})-(4-hydroxyphenyl)methylideneamino]oxypropanoic acid, Transthyretin
Authors:Ciccone, L, Shepard, W, Nencetti, S, Orlandini, E, Rossello, A.
Deposit date:2019-11-26
Release date:2020-12-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.702 Å)
Cite:Monoaryl derivatives as transthyretin fibril formation inhibitors: Design, synthesis, biological evaluation and structural analysis.
Bioorg.Med.Chem., 28, 2020
1PY4
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BU of 1py4 by Molmil
Beta2 microglobulin mutant H31Y displays hints for amyloid formations
Descriptor: Beta-2-microglobulin precursor
Authors:Rosano, C, Zuccotti, S, Mangione, P, Giorgetti, S, Bellotti, V, Pettirossi, F, Corazza, A, Viglino, P, Esposito, G, Bolognesi, M.
Deposit date:2003-07-08
Release date:2004-05-04
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:beta2-microglobulin H31Y variant 3D structure highlights the protein natural propensity towards intermolecular aggregation
J.Mol.Biol., 335, 2004
6Q6P
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BU of 6q6p by Molmil
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
3UBP
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BU of 3ubp by Molmil
DIAMIDOPHOSPHATE INHIBITED BACILLUS PASTEURII UREASE
Descriptor: DIAMIDOPHOSPHATE, NICKEL (II) ION, PROTEIN (UREASE ALPHA SUBUNIT), ...
Authors:Benini, S, Rypniewski, W.R, Wilson, K.S, Miletti, S, Mangani, S, Ciurli, S.
Deposit date:1998-12-16
Release date:1999-12-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:A new proposal for urease mechanism based on the crystal structures of the native and inhibited enzyme from Bacillus pasteurii: why urea hydrolysis costs two nickels.
Structure Fold.Des., 7, 1999
3ZOL
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BU of 3zol by Molmil
M.acetivorans protoglobin F93Y mutant in complex with cyanide
Descriptor: CYANIDE ION, GLYCEROL, PROTOGLOBIN, ...
Authors:Tilleman, L, Abbruzzetti, S, Ciaccio, C, De Sanctis, G, Nardini, M, Pesce, A, Desmet, F, Moens, L, Van Doorslaer, S, Bruno, S, Bolognesi, M, Ascenzi, P, Coletta, M, Viappiani, C, Dewilde, S.
Deposit date:2013-02-22
Release date:2014-03-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Bases for the Regulation of Co Binding in the Archaeal Protoglobin from Methanosarcina Acetivorans.
Plos One, 10, 2015
6Y0D
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BU of 6y0d by Molmil
Crystal structure of Trypanosoma cruzi antigen TcSMP11.90
Descriptor: Surface membrane protein
Authors:Di Pisa, F, Gourlay, L.J, Bolognesi, M, De Benedetti, S.
Deposit date:2020-02-07
Release date:2022-02-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Elucidating the 3D Structure of a Surface Membrane Antigen from Trypanosoma cruzi as a Serodiagnostic Biomarker of Chagas Disease.
Vaccines (Basel), 10, 2022
3ZOM
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BU of 3zom by Molmil
M.acetivorans protoglobin F145W mutant
Descriptor: GLYCEROL, PROTOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Tilleman, L, Abbruzzetti, S, Ciaccio, C, De Sanctis, G, Nardini, M, Pesce, A, Desmet, F, Moens, L, Van Doorslaer, S, Bruno, S, Bolognesi, M, Ascenzi, P, Coletta, M, Viappiani, C, Dewilde, S.
Deposit date:2013-02-22
Release date:2014-03-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Bases for the Regulation of Co Binding in the Archaeal Protoglobin from Methanosarcina Acetivorans.
Plos One, 10, 2015
7UCP
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BU of 7ucp by Molmil
computationally designed macrocycle
Descriptor: computationally designed cyclic peptide D8.3.p2
Authors:Bhardwaj, G, Baker, D, Rettie, S, Glynn, C, Sawaya, M.
Deposit date:2022-03-17
Release date:2022-09-14
Last modified:2022-09-28
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
4B3W
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BU of 4b3w by Molmil
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
8AWW
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BU of 8aww by Molmil
Transthyretin conjugated with a tafamidis derivative
Descriptor: Transthyretin, ~{N}-(6-azanylhexyl)-2-[3,5-bis(chloranyl)phenyl]-1,3-benzoxazole-6-carboxamide
Authors:Cerofolini, L, Vasa, K, Bianconi, E, Salobehaj, M, Cappelli, G, Licciardi, G, Perez-Rafols, A, Padilla Cortes, L.D, Antonacci, S, Rizzo, D, Ravera, E, Calderone, V, Parigi, G, Luchinat, C, Macchiarulo, A, Menichetti, S, Fragai, M.
Deposit date:2022-08-30
Release date:2023-07-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Combining Solid-State NMR with Structural and Biophysical Techniques to Design Challenging Protein-Drug Conjugates.
Angew.Chem.Int.Ed.Engl., 62, 2023
3DHJ
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BU of 3dhj by Molmil
Beta 2 microglobulin mutant W60C
Descriptor: Beta-2-microglobulin
Authors:Ricagno, S, Colombo, M, de Rosa, M, Bolognesi, M, Giorgetti, S, Bellotti, V.
Deposit date:2008-06-18
Release date:2008-11-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:DE loop mutations affect beta2-microglobulin stability and amyloid aggregation
Biochem.Biophys.Res.Commun., 377, 2008
3DHM
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BU of 3dhm by Molmil
Beta 2 microglobulin mutant D59P
Descriptor: Beta-2-microglobulin
Authors:Ricagno, S, Colombo, M, de Rosa, M, Bolognesi, M, Giorgetti, S, Bellotti, V.
Deposit date:2008-06-18
Release date:2008-11-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:DE loop mutations affect beta2-microglobulin stability and amyloid aggregation
Biochem.Biophys.Res.Commun., 377, 2008
2VB5
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BU of 2vb5 by Molmil
Solution structure of W60G mutant of human beta2-microglobulin
Descriptor: BETA-2-MICROGLOBULIN
Authors:Esposito, G, Corazza, A, Rennella, E, Gumral, D, Mimmi, M.C, Fogolari, F, Viglino, P, Raimondi, S, Giorgetti, S, Bolognesi, B, Merlini, G, Stoppini, M, Bellotti, V.
Deposit date:2007-09-06
Release date:2007-09-25
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:The Controlling Roles of Trp60 and Trp95 in Beta2-Microglobulin Function, Folding and Amyloid Aggregation Properties.
J.Mol.Biol., 378, 2008
1JNJ
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BU of 1jnj by Molmil
NMR solution structure of the human beta2-microglobulin
Descriptor: beta2-microglobulin
Authors:Verdone, G, Corazza, A, Viglino, P, Pettirossi, F, Giorgetti, S, Mangione, P, Andreola, A, Stoppini, M, Bellotti, V, Esposito, G.
Deposit date:2001-07-24
Release date:2002-02-27
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:The solution structure of human beta2-microglobulin reveals the prodromes of its amyloid transition.
Protein Sci., 11, 2002
6R3W
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BU of 6r3w by Molmil
M.tuberculosis nitrobindin with a water molecule coordinated to the heme iron atom
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, UPF0678 fatty acid-binding protein-like protein ERS007657_00996
Authors:De Simone, G, di Masi, A, Polticelli, F, Pesce, A, Nardini, M, Bolognesi, M, Ciaccio, C, Coletta, M, Turilli, E.S, Fasano, M, Tognaccini, L, Smulevich, G, Abbruzzetti, S, Viappiani, C, Bruno, S, Ascenzi, P.
Deposit date:2019-03-21
Release date:2020-04-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Mycobacterial and Human Nitrobindins: Structure and Function.
Antioxid.Redox Signal., 33, 2020
6R3Y
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BU of 6r3y by Molmil
M.tuberculosis nitrobindin with a cyanide molecule coordinated to the heme iron atom
Descriptor: CYANIDE ION, PROTOPORPHYRIN IX CONTAINING FE, UPF0678 fatty acid-binding protein-like protein ERS007657_00996
Authors:De Simone, G, di Masi, A, Polticelli, F, Pesce, A, Nardini, M, Bolognesi, M, Ciaccio, C, Coletta, M, Turilli, E.S, Fasano, M, Tognaccini, L, Smulevich, G, Abbruzzetti, S, Viappiani, C, Bruno, S, Ascenzi, P.
Deposit date:2019-03-21
Release date:2020-04-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Mycobacterial and Human Nitrobindins: Structure and Function.
Antioxid.Redox Signal., 33, 2020
2Z9T
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BU of 2z9t by Molmil
Crystal structure of the human beta-2 microglobulin mutant W60G
Descriptor: Beta-2-microglobulin
Authors:Ricagno, S, Bolognesi, M, Bellotti, V, Corazza, A, Rennella, E, Gural, D, Mimmi, M.C, Betto, E, Pucillo, C, Fogolari, F, Viglino, P, Raimondi, S, Giorgetti, S, Bolognesi, B, Merlini, G, Stoppini, M.
Deposit date:2007-09-26
Release date:2008-04-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The controlling roles of Trp60 and Trp95 in beta2-microglobulin function, folding and amyloid aggregation properties
J.Mol.Biol., 378, 2008
4L3C
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BU of 4l3c by Molmil
Structure of HLA-A2 in complex with D76N b2m mutant and NY-ESO1 double mutant
Descriptor: Beta-2-microglobulin, CHLORIDE ION, GLYCEROL, ...
Authors:Halabelian, L, Giorgetti, S, Bellotti, V, Bolognesi, M, Ricagno, S.
Deposit date:2013-06-05
Release date:2013-12-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Class I Major Histocompatibility Complex, the Trojan Horse for Secretion of Amyloidogenic beta 2-Microglobulin.
J.Biol.Chem., 289, 2014
4L29
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BU of 4l29 by Molmil
Structure of wtMHC class I with NY-ESO1 double mutant
Descriptor: Beta-2-microglobulin, CHLORIDE ION, GLYCEROL, ...
Authors:Halabelian, L, Giorgetti, S, Bellotti, V, Bolognesi, M, Ricagno, S.
Deposit date:2013-06-04
Release date:2013-12-25
Last modified:2014-02-26
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Class I Major Histocompatibility Complex, the Trojan Horse for Secretion of Amyloidogenic beta 2-Microglobulin.
J.Biol.Chem., 289, 2014
6SSV
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BU of 6ssv by Molmil
The structure of serpin from Schistosoma mansoni
Descriptor: Serpin, putative
Authors:De Benedetti, S, Gourlay, L.
Deposit date:2019-09-09
Release date:2020-09-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.22 Å)
Cite:Structure, Immunoreactivity, and In Silico Epitope Determination of SmSPI S. mansoni Serpin for Immunodiagnostic Application.
Vaccines (Basel), 9, 2021

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