2QS6
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![BU of 2qs6 by Molmil](/molmil-images/mine/2qs6) | Structure of a Hoogsteen antiparallel duplex with extra-helical thymines | Descriptor: | DNA (5'-D(*DAP*DTP*DAP*DTP*DAP*DTP*DCP*DT)-3') | Authors: | Pous, J, Urpi, L, Subirana, J.A, Gouyette, C, Navaza, J, Campos, J.L. | Deposit date: | 2007-07-30 | Release date: | 2008-03-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.08 Å) | Cite: | Stabilization by extra-helical thymines of a DNA duplex with Hoogsteen base pairs. J.Am.Chem.Soc., 130, 2008
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8ACM
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![BU of 8acm by Molmil](/molmil-images/mine/8acm) | Crystal structure of WT p38alpha | Descriptor: | 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE, MAGNESIUM ION, Mitogen-activated protein kinase 14 | Authors: | Pous, J, Baginski, B, Gonzalez, L, Macias, M.J, Nebreda, A.R. | Deposit date: | 2022-07-05 | Release date: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Crystal structure of WT p38alpha Res Sq
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8ACO
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![BU of 8aco by Molmil](/molmil-images/mine/8aco) | Crystal structure of WT p38alpha | Descriptor: | 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE, MAGNESIUM ION, Mitogen-activated protein kinase 14 | Authors: | Pous, J, Baginski, B, Gonzalez, L, Macias, M.J, Nebreda, A.R. | Deposit date: | 2022-07-05 | Release date: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Crystal structure of WT p38alpha Res Sq
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1E21
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![BU of 1e21 by Molmil](/molmil-images/mine/1e21) | Ribonuclease 1 des1-7 Crystal Structure at 1.9A | Descriptor: | RIBONUCLEASE 1 | Authors: | Pous, J, Mallorqui-Fernandez, G, Peracaula, R, Terzyan, S.S, Futami, J, Tada, H, Yamada, H, Seno, M, De Llorens, R, Gomis-Ruth, F.X, Coll, M. | Deposit date: | 2000-05-15 | Release date: | 2001-05-03 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Three-Dimensional Crystal Structure of Human Rnase 1Dn7 at 1.9A Resolution Acta Crystallogr.,Sect.D, 57, 2001
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1DZA
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![BU of 1dza by Molmil](/molmil-images/mine/1dza) | 3-D structure of a HP-RNase | Descriptor: | RIBONUCLEASE 1 | Authors: | Pous, J, Canals, A, Terzyan, S.S, Guasch, A, Benito, A, Ribo, M, Vilanova, M, Coll, M. | Deposit date: | 2000-02-21 | Release date: | 2001-02-16 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Three-Dimensional Structure of a Human Pancreatic Ribonuclease Variant, a Step Forward in the Design of Cytotoxic Ribonucleases J.Mol.Biol., 303, 2000
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8PQN
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![BU of 8pqn by Molmil](/molmil-images/mine/8pqn) | NQO1 bound to RBS-10 | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1, ~{N}-[4-[(3-methylphenyl)carbonylamino]phenyl]-5-nitro-furan-2-carboxamide | Authors: | Pous, J, Jose-Duran, F, Mayor-Ruiz, C, Riera, A. | Deposit date: | 2023-07-11 | Release date: | 2024-01-10 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Discovery and Mechanistic Elucidation of NQO1-Bioactivatable Small Molecules That Overcome Resistance to Degraders. Angew.Chem.Int.Ed.Engl., 63, 2024
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3EY0
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![BU of 3ey0 by Molmil](/molmil-images/mine/3ey0) | A new form of DNA-drug interaction in the minor groove of a coiled coil | Descriptor: | 1,5-BIS(4-AMIDINOPHENOXY)PENTANE, 5'-D(*DAP*DTP*DAP*DTP*DAP*DTP*DAP*DTP*DAP*DT)-3', MAGNESIUM ION | Authors: | Pous, J, Moreno, T, Subirana, J.A, Campos, J.L. | Deposit date: | 2008-10-17 | Release date: | 2009-10-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Coiled-coil conformation of a pentamidine-DNA complex Acta Crystallogr.,Sect.D, 66, 2010
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3UXW
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![BU of 3uxw by Molmil](/molmil-images/mine/3uxw) | Crystal Structures of an A-T-hook/DNA complex | Descriptor: | A-T hook peptide, dodecamer DNA | Authors: | Fonfria-Subiros, E, Acosta-Reyes, F.J, Saperas, N, Pous, J, Subirana, J.A, Campos, J.L. | Deposit date: | 2011-12-05 | Release date: | 2012-05-23 | Last modified: | 2013-03-27 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Crystal structure of a complex of DNA with one AT-hook of HMGA1. Plos One, 7, 2012
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7PVU
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![BU of 7pvu by Molmil](/molmil-images/mine/7pvu) | Crystal structure of p38alpha C162S in complex with CAS2094511-69-8, P 1 21 1 | Descriptor: | Mitogen-activated protein kinase 14, N-(2-cyclobutyl-1H-1,3-benzodiazol-5-yl)-2-fluorobenzene-1-sulfonamide | Authors: | Baginski, B, Pous, J, Gonzalez, L, Macias, M.J, Nebreda, A.R. | Deposit date: | 2021-10-05 | Release date: | 2023-05-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.154 Å) | Cite: | Characterization of p38 alpha autophosphorylation inhibitors that target the non-canonical activation pathway. Nat Commun, 14, 2023
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3NAP
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![BU of 3nap by Molmil](/molmil-images/mine/3nap) | Structure of Triatoma Virus (TrV) | Descriptor: | Capsid protein | Authors: | Squires, G, Pous, J. | Deposit date: | 2010-06-02 | Release date: | 2010-07-28 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The crystallographic structure of Triatoma Virus (TrV) highlights the Dicistroviridae and Picornaviridae family differences To be Published
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6TJP
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![BU of 6tjp by Molmil](/molmil-images/mine/6tjp) | Crystal structure of T7 bacteriophage portal protein, 13mer, closed valve - P212121 | Descriptor: | Portal protein | Authors: | Fabrega-Ferrer, M, Cuervo, A, Fernandez, F.J, Machon, C, Perez-Luque, R, Pous, J, Vega, M.C, Carrascosa, J.L, Coll, M. | Deposit date: | 2019-11-26 | Release date: | 2020-12-16 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.74 Å) | Cite: | Using a partial atomic model from medium-resolution cryo-EM to solve a large crystal structure. Acta Crystallogr D Struct Biol, 77, 2021
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2GSY
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![BU of 2gsy by Molmil](/molmil-images/mine/2gsy) | The 2.6A structure of Infectious Bursal Virus Derived T=1 Particles | Descriptor: | CALCIUM ION, polyprotein | Authors: | Garriga, D, Querol-Audi, J, Abaitua, F, Saugar, I, Pous, J, Verdaguer, N, Caston, J.R, Rodriguez, J.F. | Deposit date: | 2006-04-27 | Release date: | 2006-07-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The 2.6-angstrom structure of infectious bursal disease virus-derived t=1 particles reveals new stabilizing elements of the virus capsid. J.Virol., 80, 2006
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6QXM
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![BU of 6qxm by Molmil](/molmil-images/mine/6qxm) | Cryo-EM structure of T7 bacteriophage portal protein, 12mer, open valve | Descriptor: | Portal protein | Authors: | Fabrega-Ferrer, M, Cuervo, A, Machon, C, Fernandez, F.J, Perez-Luque, R, Pous, J, Vega, M.C, Carrascosa, J.L, Coll, M. | Deposit date: | 2019-03-07 | Release date: | 2019-09-04 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Structures of T7 bacteriophage portal and tail suggest a viral DNA retention and ejection mechanism. Nat Commun, 10, 2019
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6QWP
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![BU of 6qwp by Molmil](/molmil-images/mine/6qwp) | Crystal structure of T7 bacteriophage portal protein, 13mer, closed valve | Descriptor: | Portal protein | Authors: | Fabrega-Ferrer, M, Cuervo, A, Machon, C, Fernandez, F.J, Perez-Luque, R, Pous, J, Vega, M.C, Carrascosa, J.L, Coll, M. | Deposit date: | 2019-03-06 | Release date: | 2019-09-04 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structures of T7 bacteriophage portal and tail suggest a viral DNA retention and ejection mechanism. Nat Commun, 10, 2019
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6QX5
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![BU of 6qx5 by Molmil](/molmil-images/mine/6qx5) | Crystal structure of T7 bacteriophage portal protein, 12mer, closed valve | Descriptor: | Portal protein | Authors: | Fabrega-Ferrer, M, Cuervo, A, Machon, C, Fernandez, F.J, Perez-Luque, R, Pous, J, Vega, M.C, Carrascosa, J.L, Coll, M. | Deposit date: | 2019-03-07 | Release date: | 2019-09-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Structures of T7 bacteriophage portal and tail suggest a viral DNA retention and ejection mechanism. Nat Commun, 10, 2019
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4AY4
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![BU of 4ay4 by Molmil](/molmil-images/mine/4ay4) | crystal structure of Bacillus anthracis PurE | Descriptor: | ACETATE ION, N5-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE MUTASE | Authors: | Oliete, R, Pous, J, Rodriguez-Puente, S, Abad-Zapatero, C, Guasch, A. | Deposit date: | 2012-06-18 | Release date: | 2013-01-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Elastic and Inelastic Diffraction Changes Upon Variation of the Relative Humidity Environment of Pure Crystals Acta Crystallogr.,Sect.D, 69, 2013
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1WCE
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![BU of 1wce by Molmil](/molmil-images/mine/1wce) | Crystal structure of the T13 IBDV viral particle reveals a missing link in icosahedral viruses evolution | Descriptor: | MAJOR STRUCTURAL PROTEIN VP2 | Authors: | Coulibaly, F, Chevalier, C, Gutsche, I, Pous, J, Bressanelli, S, Navaza, J, Delmas, B, Rey, F.A. | Deposit date: | 2004-11-12 | Release date: | 2005-04-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (7 Å) | Cite: | The Birnavirus Crystal Structure Reveals Structural Relationships Among Icosahedral Viruses. Cell(Cambridge,Mass.), 120, 2005
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1WCD
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![BU of 1wcd by Molmil](/molmil-images/mine/1wcd) | Crystal structure of IBDV T1 virus-like particle reveals a missing link in icosahedral viruses evolution | Descriptor: | MAJOR STRUCTURAL PROTEIN VP2 | Authors: | Coulibaly, F, Chevalier, C, Gutsche, I, Pous, J, Bressanelli, S, Navaza, J, Delmas, B, Rey, F.A. | Deposit date: | 2004-11-12 | Release date: | 2005-04-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The Birnavirus Crystal Structure Reveals Structural Relationships Among Icosahedral Viruses. Cell(Cambridge,Mass.), 120, 2005
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3DPR
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![BU of 3dpr by Molmil](/molmil-images/mine/3dpr) | Human rhinovirus 2 bound to a concatamer of the VLDL receptor module V3 | Descriptor: | CALCIUM ION, LAURIC ACID, LDL-receptor class A 3, ... | Authors: | Querol-Audi, J, Pous, J, Fita, I, Verdaguer, N. | Deposit date: | 2008-07-09 | Release date: | 2009-04-07 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Minor group human rhinovirus-receptor interactions: geometry of multimodular attachment and basis of recognition Febs Lett., 583, 2009
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4HL8
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![BU of 4hl8 by Molmil](/molmil-images/mine/4hl8) | Re-refinement of the vault ribonucleoprotein particle | Descriptor: | Major vault protein | Authors: | Casanas, A, Querol-Audi, J, Guerra, P, Pous, J, Tanaka, H, Tsukihara, T, Verdaguer, V, Fita, I. | Deposit date: | 2012-10-16 | Release date: | 2013-06-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | New features of vault architecture and dynamics revealed by novel refinement using the deformable elastic network approach. Acta Crystallogr.,Sect.D, 69, 2013
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7Z9T
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![BU of 7z9t by Molmil](/molmil-images/mine/7z9t) | Crystal structure of p38alpha C162S in complex with ATPgS and CAS 2094667-81-7 (in catalytic site, Y35 out), P 1 21 1 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Mitogen-activated protein kinase 14, N-(2-cyclobutyl-1H-1,3-benzodiazol-5-yl)benzenesulfonamide | Authors: | Baginski, B, Pous, J, Gonzalez, L, Macias, M.J, Nebreda, A.R. | Deposit date: | 2022-03-21 | Release date: | 2023-06-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Characterization of p38 alpha autophosphorylation inhibitors that target the non-canonical activation pathway. Nat Commun, 14, 2023
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7Z6I
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![BU of 7z6i by Molmil](/molmil-images/mine/7z6i) | Crystal structure of p38alpha C162S in complex with SB20358 and CAS 2094667-81-7 (behind catalytic site; Y35 in), P 21 21 21 | Descriptor: | 4-[4-(4-fluorophenyl)-2-[4-[methyl(oxidanyl)-$l^{3}-sulfanyl]phenyl]-1~{H}-imidazol-5-yl]pyridine, Mitogen-activated protein kinase 14, N-(2-cyclobutyl-1H-1,3-benzodiazol-5-yl)benzenesulfonamide | Authors: | Baginski, B, Pous, J, Gonzalez, L, Macias, M.J, Nebreda, A.R. | Deposit date: | 2022-03-11 | Release date: | 2023-06-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Characterization of p38 alpha autophosphorylation inhibitors that target the non-canonical activation pathway. Nat Commun, 14, 2023
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4AY3
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![BU of 4ay3 by Molmil](/molmil-images/mine/4ay3) | Crystal structure of Bacillus anthracis PurE | Descriptor: | ACETATE ION, N5-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE MUTASE | Authors: | Oliete, R, Pous, J, Rodriguez-Puente, S, Abad-Zapatero, C, Guasch, A. | Deposit date: | 2012-06-18 | Release date: | 2013-01-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Elastic and Inelastic Diffraction Changes Upon Variation of the Relative Humidity Environment of Pure Crystals Acta Crystallogr.,Sect.D, 69, 2013
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3EIL
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![BU of 3eil by Molmil](/molmil-images/mine/3eil) | Structure of B-DNA d(CGTTAATTAACG)2 in the presence of Manganese | Descriptor: | 5'-D(*DCP*DGP*DTP*DTP*DAP*DAP*DTP*DTP*DAP*DAP*DCP*DG)-3', MANGANESE (II) ION | Authors: | Millonig, H, Pous, J, Campos, L.J, Subirana, J.A. | Deposit date: | 2008-09-16 | Release date: | 2009-06-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The interaction of manganese ions with DNA J.Inorg.Biochem., 103, 2009
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4B4K
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![BU of 4b4k by Molmil](/molmil-images/mine/4b4k) | Crystal structure of Bacillus anthracis PurE | Descriptor: | N5-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE MUTASE | Authors: | Oliete, R, Pous, J, Rodriguez-Puente, S, Abad-Zapatero, C, Guasch, A. | Deposit date: | 2012-07-31 | Release date: | 2012-08-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Elastic and Inelastic Diffraction Changes Upon Variation of the Relative Humidity Environment of Pure Crystals Acta Crystallogr.,Sect.D, 69, 2013
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