8C03
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![BU of 8c03 by Molmil](/molmil-images/mine/8c03) | Structure of SLC40/ferroportin in complex with vamifeport and synthetic nanobody Sy12 in outward-facing conformation | Descriptor: | 2-[2-[2-(1~{H}-benzimidazol-2-yl)ethylamino]ethyl]-~{N}-[(3-fluoranylpyridin-2-yl)methyl]-1,3-oxazole-4-carboxamide, Solute carrier family 40 member 1 | Authors: | Lehmann, E.F, Liziczai, M, Drozdzyk, K, Dutzler, R, Manatschal, C. | Deposit date: | 2022-12-15 | Release date: | 2023-03-22 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.89 Å) | Cite: | Structures of ferroportin in complex with its specific inhibitor vamifeport. Elife, 12, 2023
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8BZY
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![BU of 8bzy by Molmil](/molmil-images/mine/8bzy) | Structure of SLC40/ferroportin in complex with vamifeport and synthetic nanobody Sy3 in occluded conformation | Descriptor: | 2-[2-[2-(1~{H}-benzimidazol-2-yl)ethylamino]ethyl]-~{N}-[(3-fluoranylpyridin-2-yl)methyl]-1,3-oxazole-4-carboxamide, DIUNDECYL PHOSPHATIDYL CHOLINE, Solute carrier family 40 member 1, ... | Authors: | Lehmann, E.F, Liziczai, M, Drozdzyk, K, Dutzler, R, Manatschal, C. | Deposit date: | 2022-12-15 | Release date: | 2023-03-22 | Last modified: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (3.24 Å) | Cite: | Structures of ferroportin in complex with its specific inhibitor vamifeport. Elife, 12, 2023
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8C02
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![BU of 8c02 by Molmil](/molmil-images/mine/8c02) | Structure of SLC40/ferroportin in complex with synthetic nanobody Sy3 in occluded conformation | Descriptor: | Solute carrier family 40 member 1, Sybody3 | Authors: | Lehmann, E.F, Liziczai, M, Drozdzyk, K, Dutzler, R, Manatschal, C. | Deposit date: | 2022-12-15 | Release date: | 2023-03-22 | Last modified: | 2023-03-29 | Method: | ELECTRON MICROSCOPY (4.09 Å) | Cite: | Structures of ferroportin in complex with its specific inhibitor vamifeport. Elife, 12, 2023
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5FP6
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![BU of 5fp6 by Molmil](/molmil-images/mine/5fp6) | Structure of cyclin-dependent kinase 2 with small-molecule ligand 3-(4,7-dichloro-1H-indol-3-yl)prop-2-yn-1-ol (AT17833) in an alternate binding site. | Descriptor: | 3-(4,7-dichloro-1H-indol-3-yl)prop-2-yn-1-ol, CYCLIN-DEPENDENT KINASE 2 | Authors: | Jhoti, H, Ludlow, R.F, O'Reilly, M, Saini, H.K, Tickle, I.J, Verdonk, M. | Deposit date: | 2015-11-27 | Release date: | 2015-12-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Detection of Secondary Binding Sites in Proteins Using Fragment Screening. Proc.Natl.Acad.Sci.USA, 112, 2015
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4FU3
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![BU of 4fu3 by Molmil](/molmil-images/mine/4fu3) | CID of human RPRD1B | Descriptor: | CHLORIDE ION, Regulation of nuclear pre-mRNA domain-containing protein 1B, UNKNOWN ATOM OR ION | Authors: | Ni, Z, Xu, C, Tempel, W, El Bakkouri, M, Loppnau, P, Guo, X, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Greenblatt, J.F, Structural Genomics Consortium (SGC) | Deposit date: | 2012-06-28 | Release date: | 2012-08-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | CID of human RPRD1B TO BE PUBLISHED
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3FJD
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![BU of 3fjd by Molmil](/molmil-images/mine/3fjd) | |
3FJC
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![BU of 3fjc by Molmil](/molmil-images/mine/3fjc) | |
3FGM
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![BU of 3fgm by Molmil](/molmil-images/mine/3fgm) | |
4JZO
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![BU of 4jzo by Molmil](/molmil-images/mine/4jzo) | |
4JZN
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![BU of 4jzn by Molmil](/molmil-images/mine/4jzn) | |
3FJ8
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3FJA
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![BU of 3fja by Molmil](/molmil-images/mine/3fja) | |
1P5N
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4K6A
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![BU of 4k6a by Molmil](/molmil-images/mine/4k6a) | Revised Crystal Structure of apo-form of Triosephosphate Isomerase (tpiA) from Escherichia coli at 1.8 Angstrom Resolution. | Descriptor: | SODIUM ION, Triosephosphate isomerase | Authors: | Minasov, G, Kuhn, M, Halavaty, A, Shuvalova, L, Dubrovska, I, Winsor, J, Grimshaw, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2013-04-15 | Release date: | 2013-05-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural, kinetic and proteomic characterization of acetyl phosphate-dependent bacterial protein acetylation. PLoS ONE, 9, 2014
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7UJX
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![BU of 7ujx by Molmil](/molmil-images/mine/7ujx) | Structure of cAMP-dependent protein kinase using a MD-MX procedure, produced using 2.4 Angstrom data | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Wych, D.C, Aoto, P.C, Wall, M.E. | Deposit date: | 2022-03-31 | Release date: | 2022-12-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Molecular-dynamics simulation methods for macromolecular crystallography. Acta Crystallogr D Struct Biol, 79, 2023
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7V0G
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![BU of 7v0g by Molmil](/molmil-images/mine/7v0g) | Structure of cAMP-dependent protein kinase using a MD-MX procedure, produced using 1.63 Angstrom data | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Wych, D.C, Aoto, P.C, Wall, M.E. | Deposit date: | 2022-05-10 | Release date: | 2022-12-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Molecular-dynamics simulation methods for macromolecular crystallography. Acta Crystallogr D Struct Biol, 79, 2023
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3Q3Z
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![BU of 3q3z by Molmil](/molmil-images/mine/3q3z) | Structure of a c-di-GMP-II riboswitch from C. acetobutylicum bound to c-di-GMP | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), MAGNESIUM ION, c-di-GMP-II riboswitch | Authors: | Smith, K.D, Shanahan, C.A, Moore, E.L, Simon, A.C, Strobel, S.A. | Deposit date: | 2010-12-22 | Release date: | 2011-05-11 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Structural basis of differential ligand recognition by two classes of bis-(3'-5')-cyclic dimeric guanosine monophosphate-binding riboswitches. Proc.Natl.Acad.Sci.USA, 108, 2011
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5T94
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![BU of 5t94 by Molmil](/molmil-images/mine/5t94) | Crystal structure of Kap60 bound to yeast RCC1 (Prp20) | Descriptor: | Guanine nucleotide exchange factor SRM1, Importin subunit alpha | Authors: | Sankhala, R.S, Lokareddy, R.K, Pumroy, R.A, Cingolani, G. | Deposit date: | 2016-09-09 | Release date: | 2017-09-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.631 Å) | Cite: | Three-dimensional context rather than NLS amino acid sequence determines importin alpha subtype specificity for RCC1. Nat Commun, 8, 2017
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7D35
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![BU of 7d35 by Molmil](/molmil-images/mine/7d35) | Human LC8 bound to ebola virus VP35(67-76) | Descriptor: | Dynein light chain 1, cytoplasmic, Peptide from Polymerase cofactor VP35 | Authors: | Ku, B, Lim, D. | Deposit date: | 2020-09-18 | Release date: | 2021-04-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.401 Å) | Cite: | Crystal structure of human LC8 bound to a peptide from Ebola virus VP35. J.Microbiol, 59, 2021
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2AGO
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![BU of 2ago by Molmil](/molmil-images/mine/2ago) | Fidelity of Dpo4: effect of metal ions, nucleotide selection and pyrophosphorolysis | Descriptor: | CALCIUM ION, DNA (5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*CP*G)-3'), DNA (5'-D(*TP*TP*TP*TP*GP*AP*AP*TP*CP*CP*TP*TP*CP*CP*CP*CP*C)-3'), ... | Authors: | Ling, H, Yang, W. | Deposit date: | 2005-07-27 | Release date: | 2005-09-06 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Fidelity of Dpo4: effect of metal ions, nucleotide selection and pyrophosphorolysis. Embo J., 24, 2005
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7NBV
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![BU of 7nbv by Molmil](/molmil-images/mine/7nbv) | Structure of 2A protein from Theilers murine encephalomyelitis virus (TMEV) | Descriptor: | BROMIDE ION, Capsid protein VP0 | Authors: | Hill, C.H, Cook, G.M, Napthine, S, Kibe, A, Brown, K, Caliskan, N, Firth, A.E, Graham, S.C, Brierley, I. | Deposit date: | 2021-01-28 | Release date: | 2021-12-08 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Investigating molecular mechanisms of 2A-stimulated ribosomal pausing and frameshifting in Theilovirus. Nucleic Acids Res., 49, 2021
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1ND3
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![BU of 1nd3 by Molmil](/molmil-images/mine/1nd3) | The structure of HRV16, when complexed with pleconaril, an antiviral compound | Descriptor: | 3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE, ZINC ION, coat protein VP1, ... | Authors: | Zhang, Y, Simpson, A.A, Bator, C.M, Chakravarty, S, Pevear, D.C, Skochko, G.A, Tull, T.M, Diana, G, Rossmann, M.G. | Deposit date: | 2002-12-06 | Release date: | 2003-12-16 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural and virological studies of the stages of virus replication that are affected by antirhinovirus compounds J.Virol., 78, 2004
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2AGP
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![BU of 2agp by Molmil](/molmil-images/mine/2agp) | Fidelity of Dpo4: effect of metal ions, nucleotide selection and pyrophosphorolysis | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*(DOC)-3'), ... | Authors: | Ling, H, Yang, W. | Deposit date: | 2005-07-27 | Release date: | 2005-09-06 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Fidelity of Dpo4: effect of metal ions, nucleotide selection and pyrophosphorolysis. Embo J., 24, 2005
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5HA9
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![BU of 5ha9 by Molmil](/molmil-images/mine/5ha9) | Crystal structure-based design and disovery of a novel PARP1 antiagonist (BL-PA10) that induces apoptosis and inhibits metastasis in triple negative breast cancer | Descriptor: | Amitriptyline, GLYCEROL, Poly [ADP-ribose] polymerase 1, ... | Authors: | Fu, L, Peng, H, Zhang, L, Ouyang, L. | Deposit date: | 2015-12-30 | Release date: | 2016-03-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (4.01 Å) | Cite: | Crystal structure-based discovery of a novel synthesized PARP1 inhibitor (OL-1) with apoptosis-inducing mechanisms in triple-negative breast cancer. Sci Rep, 6, 2016
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1ND2
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![BU of 1nd2 by Molmil](/molmil-images/mine/1nd2) | The structure of Rhinovirus 16 | Descriptor: | MYRISTIC ACID, ZINC ION, coat protein VP1, ... | Authors: | Zhang, Y, Simpson, A.A, Bator, C.M, Chakravarty, S, Pevear, D.C, Skochko, G.A, Tull, T.M, Diana, G, Rossmann, M.G. | Deposit date: | 2002-12-06 | Release date: | 2003-12-16 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural and virological studies of the stages of virus replication that are affected by antirhinovirus compounds J.Virol., 78, 2004
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