6XHH
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![BU of 6xhh by Molmil](/molmil-images/mine/6xhh) | Far-red absorbing dark state of JSC1_58120g3 with bound 18-1, 18-2 dihydrobiliverdin IXa (DHBV), the native chromophore precursor | Descriptor: | 1,2-ETHANEDIOL, JSC1_58120g3, mesobiliverdin IX(alpha) | Authors: | Moreno, M.V, Rockwell, N.C, Fisher, A.J, Lagarias, J.C. | Deposit date: | 2020-06-18 | Release date: | 2020-10-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A far-red cyanobacteriochrome lineage specific for verdins. Proc.Natl.Acad.Sci.USA, 117, 2020
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6XHG
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![BU of 6xhg by Molmil](/molmil-images/mine/6xhg) | Far-red absorbing dark state of JSC1_58120g3 with bound biliverdin IXa (BV) | Descriptor: | 1,2-ETHANEDIOL, 3-[2-[(~{Z})-[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(~{Z})-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, JSC1_58120g3 | Authors: | Moreno, M.V, Rockwell, N.C, Fisher, A.J, Lagarias, J.C. | Deposit date: | 2020-06-18 | Release date: | 2020-10-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A far-red cyanobacteriochrome lineage specific for verdins. Proc.Natl.Acad.Sci.USA, 117, 2020
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3EJ1
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![BU of 3ej1 by Molmil](/molmil-images/mine/3ej1) | CDK2/CyclinA complexed with a pyrazolopyridazine inhibitor | Descriptor: | Cell division protein kinase 2, Cyclin-A2, N-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine | Authors: | Stevens, K, Reno, M, Alberti, J, Price, D, Kane-Carson, L, Knick, V, Shewchuk, L, Hassell, A, Veal, J, Peel, M. | Deposit date: | 2008-09-17 | Release date: | 2008-10-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.22 Å) | Cite: | Synthesis and evaluation of pyrazolo[1,5-b]pyridazines as selective cyclin dependent kinase inhibitors. Bioorg.Med.Chem.Lett., 18, 2008
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3EID
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![BU of 3eid by Molmil](/molmil-images/mine/3eid) | CDK2/CyclinA complexed with a pyrazolopyridazine inhibitor | Descriptor: | (2S)-1-(dimethylamino)-3-(4-{[4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino}phenoxy)propan-2-ol, Cell division protein kinase 2, Cyclin-A2 | Authors: | Steven, K, Reno, M, Alberti, J, Price, D, Kane-Carson, L, Knick, V, Shewchuk, L, Hassell, A, Veal, J, Peel, M. | Deposit date: | 2008-09-15 | Release date: | 2008-10-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Synthesis and evaluation of pyrazolo[1,5-b]pyridazines as selective cyclin dependent kinase inhibitors. Bioorg.Med.Chem.Lett., 18, 2008
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6GWS
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![BU of 6gws by Molmil](/molmil-images/mine/6gws) | Crystal structure of human PCNA in complex with three p15 peptides | Descriptor: | PCNA-associated factor, Proliferating cell nuclear antigen | Authors: | De March, M, Merino, N, Gonzalez-Magana, A, Romano-Moreno, M, Onesti, S, Blanco, F.J, De Biasio, A. | Deposit date: | 2018-06-25 | Release date: | 2018-08-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | p15PAF binding to PCNA modulates the DNA sliding surface. Nucleic Acids Res., 46, 2018
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5OSI
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![BU of 5osi by Molmil](/molmil-images/mine/5osi) | Structure of retromer VPS29-VPS35C subunits complexed with RidL harpin loop (163-176) | Descriptor: | 1,2-ETHANEDIOL, Interaptin, SODIUM ION, ... | Authors: | Romano-Moreno, M, Rojas, A.L, Lucas, M, Isupov, M.N, Hierro, A. | Deposit date: | 2017-08-17 | Release date: | 2017-12-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Molecular mechanism for the subversion of the retromer coat by the Legionella effector RidL. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5OSH
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![BU of 5osh by Molmil](/molmil-images/mine/5osh) | Structure of retromer VPS29-VPS35C subunits complexed with RidL N-terminal domain (1-236) | Descriptor: | Interaptin, Vacuolar protein sorting-associated protein 29, Vacuolar protein sorting-associated protein 35 | Authors: | Romano-Moreno, M, Rojas, A.L, Lucas, M, Isupov, M.N, Hierro, A. | Deposit date: | 2017-08-17 | Release date: | 2017-12-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (4.3 Å) | Cite: | Molecular mechanism for the subversion of the retromer coat by the Legionella effector RidL. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5OT4
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![BU of 5ot4 by Molmil](/molmil-images/mine/5ot4) | Structure of the Legionella pneumophila effector RidL (1-866) | Descriptor: | GLYCEROL, Interaptin | Authors: | Romano-Moreno, M, Rojas, A.L, Lucas, M, Isupov, M.N, Hierro, A. | Deposit date: | 2017-08-20 | Release date: | 2017-12-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Molecular mechanism for the subversion of the retromer coat by the Legionella effector RidL. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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3ZDT
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![BU of 3zdt by Molmil](/molmil-images/mine/3zdt) | Crystal structure of basic patch mutant FAK FERM domain FAK31- 405 K216A, K218A, R221A, K222A | Descriptor: | FOCAL ADHESION KINASE 1 | Authors: | Goni, G.M, Epifano, C, Boskovic, J, Camacho-Artacho, M, Zhou, J, Martin, M.T, Eck, M.J, Kremer, L, Graeter, F, Gervasio, F.L, Perez-Moreno, M, Lietha, D. | Deposit date: | 2012-11-30 | Release date: | 2012-12-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Phosphatidylinositol 4,5-Bisphosphate Triggers Activation of Focal Adhesion Kinase by Inducing Clustering and Conformational Changes. Proc.Natl.Acad.Sci.USA, 111, 2014
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8RKS
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![BU of 8rks by Molmil](/molmil-images/mine/8rks) | Structure of VPS29-VPS35 bound to the LFa motif R21 of Fam21. | Descriptor: | Vacuolar protein sorting-associated protein 29, Vacuolar protein sorting-associated protein 35, WASH complex subunit 2A | Authors: | Romano-Moreno, M, Astorga-Simon, E.N, Rojas, A.L, Hierro, A. | Deposit date: | 2023-12-30 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Retromer-mediated recruitment of the WASH complex involves discrete interactions between VPS35, VPS29, and FAM21. Protein Sci., 33, 2024
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2VRJ
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![BU of 2vrj by Molmil](/molmil-images/mine/2vrj) | Beta-glucosidase from Thermotoga maritima in complex with N-octyl-5- deoxy-6-oxa-N-(thio)carbamoylcalystegine | Descriptor: | (1S,2R,3S,4R,5R)-2,3,4-trihydroxy-N-octyl-6-oxa-8-azabicyclo[3.2.1]octane-8-carbothioamide, ACETATE ION, BETA-GLUCOSIDASE A, ... | Authors: | Aguilar, M, Gloster, T.M, Garcia-Moreno, M.I, Ortiz Mellet, C, Davies, G.J, Llebaria, A, Casas, J, Egido-Gabas, M, Garcia Fernandez, J.M. | Deposit date: | 2008-04-09 | Release date: | 2008-10-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular Basis for Beta-Glucosidase Inhibition by Ring-Modified Calystegine Analogues. Chembiochem, 9, 2008
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2WC4
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![BU of 2wc4 by Molmil](/molmil-images/mine/2wc4) | Structure of family 1 beta-glucosidase from Thermotoga maritima in complex with 3-imino-2-thia-(+)-castanospermine | Descriptor: | (3Z,5S,6R,7S,8R,8aS)-3-(octylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-5,6,7,8-tetrol, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Aguilar, M, Gloster, T.M, Turkenburg, J.P, Garcia-Moreno, M.I, Ortiz Mellet, C, Davies, G.J, Garcia Fernandez, J.M. | Deposit date: | 2009-03-08 | Release date: | 2009-04-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Glycosidase Inhibition by Ring-Modified Castanospermine Analogues: Tackling Enzyme Selectivity by Inhibitor Tailoring. Org.Biomol.Chem., 7, 2009
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2WBG
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![BU of 2wbg by Molmil](/molmil-images/mine/2wbg) | Structure of family 1 beta-glucosidase from Thermotoga maritima in complex with 3-imino-2-oxa-(+)-castanospermine | Descriptor: | (3Z,5S,6R,7S,8R,8aR)-3-(octylimino)hexahydro[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol, ACETATE ION, BETA-GLUCOSIDASE A | Authors: | Aguilar, M, Gloster, T.M, Turkenburg, J.P, Garcia-Moreno, M.I, Ortiz Mellet, C, Davies, G.J, Garcia Fernandez, J.M. | Deposit date: | 2009-02-27 | Release date: | 2009-04-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Glycosidase Inhibition by Ring-Modified Castanospermine Analogues: Tackling Enzyme Selectivity by Inhibitor Tailoring. Org.Biomol.Chem., 7, 2009
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2WC3
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![BU of 2wc3 by Molmil](/molmil-images/mine/2wc3) | Structure of family 1 beta-glucosidase from Thermotoga maritima in complex with 3-imino-2-oxa-(+)-8-epi-castanospermine | Descriptor: | (3Z,5S,6R,7S,8S,8aR)-3-(octylimino)hexahydro[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol, BETA-GLUCOSIDASE A | Authors: | Aguilar, M, Gloster, T.M, Turkenburg, J.P, Garcia-Moreno, M.I, Ortiz Mellet, C, Davies, G.J, Garcia Fernandez, J.M. | Deposit date: | 2009-03-08 | Release date: | 2009-04-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Glycosidase Inhibition by Ring-Modified Castanospermine Analogues: Tackling Enzyme Selectivity by Inhibitor Tailoring. Org.Biomol.Chem., 7, 2009
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2WCG
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![BU of 2wcg by Molmil](/molmil-images/mine/2wcg) | X-ray structure of acid-beta-glucosidase with N-octyl(cyclic guanidine)-nojirimycin in the active site | Descriptor: | CHLORIDE ION, GLUCOSYLCERAMIDASE, N-[(3E,5R,6R,7S,8R,8AR)-5,6,7,8-TETRAHYDROXYHEXAHYDROIMIDAZO[1,5-A]PYRIDIN-3(2H)-YLIDENE]OCTAN-1-AMINIUM, ... | Authors: | Brumshtein, B, Aguilar, M, Garcia-Moreno, M.I, Mellet, C.O, Garcia-Fernandez, J.M, Silman, I, Shaaltiel, Y, Aviezer, D, Sussman, J.L, Futerman, A.H. | Deposit date: | 2009-03-12 | Release date: | 2009-11-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 6-Amino-6-Deoxy-5,6-Di-N-(N'-Octyliminomethylidene)Nojirimycin: Synthesis, Biological Evaluation, and Crystal Structure in Complex with Acid Beta-Glucosidase. Chembiochem, 10, 2009
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7Q6B
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![BU of 7q6b by Molmil](/molmil-images/mine/7q6b) | mRubyFT/S148I, a mutant of blue-to-red fluorescent timer in its blue state | Descriptor: | mRubyFT S148I, a mutant of blue-to-red fluorescent timer | Authors: | Boyko, K.M, Nikolaeva, A.Y, Vlaskina, A.V, Dorovatovskii, P.V, Khrenova, M.G, Subach, O.M, Popov, V.O, Subach, F.M. | Deposit date: | 2021-11-06 | Release date: | 2023-04-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Combined Structural and Computational Study of the mRubyFT Fluorescent Timer Locked in Its Blue Form. Int J Mol Sci, 24, 2023
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4CYE
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![BU of 4cye by Molmil](/molmil-images/mine/4cye) | Crystal structure of avian FAK FERM domain FAK31-405 at 3.2A | Descriptor: | FOCAL ADHESION KINASE 1 | Authors: | Goni, G.M, Epifano, C, Boskovic, J, Camacho-Artacho, M, Zhou, J, Martin, M.T, Eck, M.J, Kremer, L, Graeter, F, Gervasio, F.L, Perez-Moreno, M, Lietha, D. | Deposit date: | 2014-04-10 | Release date: | 2014-04-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Phosphatidylinositol 4,5-Bisphosphate Triggers Activation of Focal Adhesion Kinase by Inducing Clustering and Conformational Changes. Proc.Natl.Acad.Sci.USA, 111, 2014
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6HVO
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![BU of 6hvo by Molmil](/molmil-images/mine/6hvo) | Crystal structure of human PCNA in complex with three peptides of p12 subunit of human polymerase delta | Descriptor: | DNA polymerase delta subunit 4, Proliferating cell nuclear antigen, SULFATE ION | Authors: | Gonzalez-Magana, A, Romano-Moreno, M, Rojas, A.L, Blanco, F.J, De Biasio, A. | Deposit date: | 2018-10-11 | Release date: | 2019-01-23 | Last modified: | 2019-03-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The p12 subunit of human polymerase delta uses an atypical PIP box for molecular recognition of proliferating cell nuclear antigen (PCNA). J.Biol.Chem., 294, 2019
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7Z79
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![BU of 7z79 by Molmil](/molmil-images/mine/7z79) | Crystal structure of aminotransferase-like protein from Variovorax paradoxus | Descriptor: | Aminotransferase, class 4, DI(HYDROXYETHYL)ETHER, ... | Authors: | Boyko, K.M, Matyuta, I.O, Nikolaeva, A.Y, Khrenova, M.G, Rakitina, T.V, Popov, V.O, Bezsudnova, E.Y. | Deposit date: | 2022-03-15 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A Puzzling Protein from Variovorax paradoxus Has a PLP Fold Type IV Transaminase Structure and Binds PLP without Catalytic Lysine Crystals, 12, 2022
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6X6P
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![BU of 6x6p by Molmil](/molmil-images/mine/6x6p) | Characterization of the SARS-CoV-2 S Protein: Biophysical, Biochemical, Structural, and Antigenic Analysis | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Herrera, N.G, Morano, N.C, Celikgil, A, Georgiev, G.I, Malonis, R, Lee, J.H, Tong, K, Vergnolle, O, Massimi, A, Yen, L.Y, Noble, A.J, Kopylov, M, Bonanno, J.B, Garrett-Thompson, S.C, Hayes, D.B, Brenowitz, M, Garforth, S.J, Eng, E.T, Lai, J.R, Almo, S.C. | Deposit date: | 2020-05-28 | Release date: | 2020-06-10 | Last modified: | 2021-01-27 | Method: | ELECTRON MICROSCOPY (3.22 Å) | Cite: | Characterization of the SARS-CoV-2 S Protein: Biophysical, Biochemical, Structural, and Antigenic Analysis. Biorxiv, 2020
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4JIX
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![BU of 4jix by Molmil](/molmil-images/mine/4jix) | Crystal structure of the metallopeptidase zymogen of Methanocaldococcus jannaschii jannalysin | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ... | Authors: | Lopez-Pelegrin, M, Cerda-Costa, N, Martinez-Jimenez, F, Cintas-Pedrola, A, Canals, A, Peinado, J.R, Marti-Renom, M.A, Lopez-Otin, C, Arolas, J.L, Gomis-Ruth, F.X. | Deposit date: | 2013-03-07 | Release date: | 2013-06-12 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A novel family of soluble minimal scaffolds provides structural insight into the catalytic domains of integral membrane metallopeptidases J.Biol.Chem., 288, 2013
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4JIU
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![BU of 4jiu by Molmil](/molmil-images/mine/4jiu) | Crystal structure of the metallopeptidase zymogen of Pyrococcus abyssi abylysin | Descriptor: | GLYCEROL, Proabylysin, ZINC ION | Authors: | Lopez-Pelegrin, M, Cerda-Costa, N, Martinez-Jimenez, F, Cintas-Pedrola, A, Canals, A, Peinado, J.R, Marti-Renom, M.A, Lopez-Otin, C, Arolas, J.L, Gomis-Ruth, F.X. | Deposit date: | 2013-03-07 | Release date: | 2013-06-12 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | A novel family of soluble minimal scaffolds provides structural insight into the catalytic domains of integral membrane metallopeptidases J.Biol.Chem., 288, 2013
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1ANX
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![BU of 1anx by Molmil](/molmil-images/mine/1anx) | |
1OEJ
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![BU of 1oej by Molmil](/molmil-images/mine/1oej) | YodA from Escherichia coli crystallised with no added ions | Descriptor: | HYPOTHETICAL PROTEIN YODA, NICKEL (II) ION | Authors: | David, G, Blondeau, K, Renouard, M, Penel, S, Lewit-Bentley, A. | Deposit date: | 2003-03-27 | Release date: | 2003-08-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Yoda from Escherichia Coli is a Metal-Binding, Lipocalin-Like Protein J.Biol.Chem., 278, 2003
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1BT6
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![BU of 1bt6 by Molmil](/molmil-images/mine/1bt6) | P11 (S100A10), LIGAND OF ANNEXIN II IN COMPLEX WITH ANNEXIN II N-TERMINUS | Descriptor: | ANNEXIN II, S100A10 | Authors: | Rety, S, Sopkova, J, Renouard, M, Osterloh, D, Gerke, V, Russo-Marie, F, Lewit-Bentley, A. | Deposit date: | 1998-09-02 | Release date: | 1999-01-27 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The crystal structure of a complex of p11 with the annexin II N-terminal peptide. Nat.Struct.Biol., 6, 1999
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