4O1R
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![BU of 4o1r by Molmil](/molmil-images/mine/4o1r) | Crystal structure of NpuDnaB intein | Descriptor: | CHLORIDE ION, GLYCEROL, Replicative DNA helicase, ... | Authors: | Aranko, A.S, Oeemig, J.S, Zhou, D, Kajander, T, Wlodawer, A, Iwai, H. | Deposit date: | 2013-12-16 | Release date: | 2014-03-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure-based engineering and comparison of novel split inteins for protein ligation. Mol Biosyst, 10, 2014
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4JZZ
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4O5N
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![BU of 4o5n by Molmil](/molmil-images/mine/4o5n) | Crystal structure of A/Victoria/361/2011 (H3N2) influenza virus hemagglutinin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | Authors: | Lee, P.S, Wilson, I.A. | Deposit date: | 2013-12-19 | Release date: | 2014-04-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Receptor mimicry by antibody F045-092 facilitates universal binding to the H3 subtype of influenza virus. Nat Commun, 5, 2014
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4OX7
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4GPT
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![BU of 4gpt by Molmil](/molmil-images/mine/4gpt) | Crystal structure of KPT251 in complex with CRM1-Ran-RanBP1 | Descriptor: | 1,2-ETHANEDIOL, 2-(2-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}ethyl)-1,3,4-oxadiazole, CHLORIDE ION, ... | Authors: | Sun, Q, Chook, Y.M. | Deposit date: | 2012-08-21 | Release date: | 2012-09-05 | Last modified: | 2013-01-23 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Antileukemic activity of nuclear export inhibitors that spare normal hematopoietic cells. Leukemia, 27, 2013
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4TQB
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![BU of 4tqb by Molmil](/molmil-images/mine/4tqb) | The co-complex structure of the translation initiation factor eIF4E with the inhibitor 4EGI-1 reveals an allosteric mechanism for dissociating eIF4G | Descriptor: | (2E)-2-{2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene}-3-(2-nitrophenyl)propanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Papadopoulos, E, Jenni, S, Wagner, G. | Deposit date: | 2014-06-10 | Release date: | 2014-08-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Structure of the eukaryotic translation initiation factor eIF4E in complex with 4EGI-1 reveals an allosteric mechanism for dissociating eIF4G. Proc.Natl.Acad.Sci.USA, 111, 2014
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4GRA
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![BU of 4gra by Molmil](/molmil-images/mine/4gra) | Crystal structure of SULT1A1 bound with PAP | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase 1A1 | Authors: | Kim, J, Cook, I, Wang, T, Falany, C.N, Leyh, T.S, Almo, S.C. | Deposit date: | 2012-08-24 | Release date: | 2013-01-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | The gate that governs sulfotransferase selectivity. Biochemistry, 52, 2013
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4GR9
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![BU of 4gr9 by Molmil](/molmil-images/mine/4gr9) | Synthesis of novel MT3 receptor ligands via unusual Knoevenagel condensation | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, N-[(3R)-3-(cyanomethyl)-1-methyl-2-oxo-2,3-dihydro-1H-indol-5-yl]acetamide, ... | Authors: | Volkova, M.S, Jensen, K.C, Lozinskaya, N.A, Sosonyuk, S.E, Proskurnina, M.V, Mesecar, A.D, Zefirov, N.S. | Deposit date: | 2012-08-24 | Release date: | 2013-07-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.291 Å) | Cite: | Synthesis of novel МТ3 receptor ligands via an unusual Knoevenagel condensation. Bioorg.Med.Chem.Lett., 22, 2012
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4JZW
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4O60
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![BU of 4o60 by Molmil](/molmil-images/mine/4o60) | Structure of ankyrin repeat protein | Descriptor: | ANK-N5C-317 | Authors: | Ethayathulla, A.S, Guan, L. | Deposit date: | 2013-12-20 | Release date: | 2015-03-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | A transcription blocker isolated from a designed repeat protein combinatorial library by in vivo functional screen. Sci Rep, 5, 2015
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4NZQ
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![BU of 4nzq by Molmil](/molmil-images/mine/4nzq) | Crystal structure of Ca2+-free prothrombin deletion mutant residues 146-167 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Prothrombin | Authors: | Pozzi, N, Chen, Z, Shropshire, D.B, Pelc, L.A, Di Cera, E. | Deposit date: | 2013-12-12 | Release date: | 2014-05-21 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.807 Å) | Cite: | The linker connecting the two kringles plays a key role in prothrombin activation. Proc.Natl.Acad.Sci.USA, 111, 2014
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4O5L
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![BU of 4o5l by Molmil](/molmil-images/mine/4o5l) | Crystal structure of broadly neutralizing antibody F045-092 | Descriptor: | Fab F045-092 heavy chain, Fab F045-092 light chain, PHOSPHATE ION | Authors: | Lee, P.S, Wilson, I.A. | Deposit date: | 2013-12-19 | Release date: | 2014-04-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5045 Å) | Cite: | Receptor mimicry by antibody F045-092 facilitates universal binding to the H3 subtype of influenza virus. Nat Commun, 5, 2014
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4O5I
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5NPV
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![BU of 5npv by Molmil](/molmil-images/mine/5npv) | Structure of human ATG5-ATG16L1(ATG5BD) complex (I4) | Descriptor: | Autophagy protein 5, Autophagy-related protein 16-1 | Authors: | Archna, A, Scrima, A. | Deposit date: | 2017-04-19 | Release date: | 2017-10-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Identification, biochemical characterization and crystallization of the central region of human ATG16L1. Acta Crystallogr F Struct Biol Commun, 73, 2017
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4LOW
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![BU of 4low by Molmil](/molmil-images/mine/4low) | Structure and identification of a pterin dehydratase-like protein as a RuBisCO assembly factor in the alpha-carboxysome | Descriptor: | FORMIC ACID, NICKEL (II) ION, acRAF | Authors: | Wheatley, N.M, Gidaniyan, S.D, Cascio, D, Yeates, T.O. | Deposit date: | 2013-07-13 | Release date: | 2013-09-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structure and Identification of a Pterin Dehydratase-like Protein as a Ribulose-bisphosphate Carboxylase/Oxygenase (RuBisCO) Assembly Factor in the alpha-Carboxysome. J.Biol.Chem., 289, 2014
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4M02
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![BU of 4m02 by Molmil](/molmil-images/mine/4m02) | Middle fragment(residues 494-663) of the binding region of SraP | Descriptor: | CALCIUM ION, GLYCEROL, Serine-rich adhesin for platelets | Authors: | Yang, Y.H, Jiang, Y.L, Zhang, J, Wang, L, Chen, Y, Zhou, C.Z. | Deposit date: | 2013-08-01 | Release date: | 2014-06-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Structural Insights into SraP-Mediated Staphylococcus aureus Adhesion to Host Cells Plos Pathog., 10, 2014
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4M0D
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5WI4
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![BU of 5wi4 by Molmil](/molmil-images/mine/5wi4) | CRYSTAL STRUCTURE OF DYNLT1/TCTEX-1 IN COMPLEX WITH ARHGEF2 | Descriptor: | Dynein light chain Tctex-type 1,Rho guanine nucleotide exchange factor 2, SULFATE ION | Authors: | Balan, M, Ishiyama, N, Marshall, C.B, Ikura, M. | Deposit date: | 2017-07-18 | Release date: | 2017-11-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | MARK3-mediated phosphorylation of ARHGEF2 couples microtubules to the actin cytoskeleton to establish cell polarity. Sci Signal, 10, 2017
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8PEE
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![BU of 8pee by Molmil](/molmil-images/mine/8pee) | ABCB1 L335C mutant (mABCB1) in the inward facing state bound to AAC | Descriptor: | (4S,11S,18S)-4-[[(2,4-dinitrophenyl)disulfanyl]methyl]-11,18-dimethyl-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, ATP-dependent translocase ABCB1, ... | Authors: | Parey, K, Januliene, D, Gewering, T, Moeller, A. | Deposit date: | 2023-06-13 | Release date: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Tracing the substrate translocation mechanism in P-glycoprotein. Elife, 12, 2024
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4LQ9
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![BU of 4lq9 by Molmil](/molmil-images/mine/4lq9) | Crystal structure of human norovirus RNA-dependent RNA-polymerase in complex with NAF2 | Descriptor: | MAGNESIUM ION, RNA-dependent RNA-polymerase, naphthalene-1,5-disulfonic acid | Authors: | Milani, M, Tarantino, D, Mastrangelo, E, Croci, R. | Deposit date: | 2013-07-17 | Release date: | 2014-02-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Naphthalene-sulfonate inhibitors of human norovirus RNA-dependent RNA-polymerase. Antiviral Res., 102, 2014
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4IBE
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![BU of 4ibe by Molmil](/molmil-images/mine/4ibe) | Ebola virus VP35 bound to small molecule | Descriptor: | 5-[(2R)-3-benzoyl-2-(4-bromothiophen-2-yl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-2-chlorobenzoic acid, GLYCEROL, Polymerase cofactor VP35 | Authors: | Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-12-08 | Release date: | 2014-03-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity. J.Mol.Biol., 426, 2014
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4ICT
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![BU of 4ict by Molmil](/molmil-images/mine/4ict) | Substrate and reaction specificity of Mycobacterium tuberculosis cytochrome P450 CYP121 | Descriptor: | (3S,6S)-3-benzyl-6-(4-hydroxybenzyl)piperazine-2,5-dione, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Fonvielle, M, Le Du, M.-H, Lequin, O, Lecoq, A, Jacquet, M, Thai, R, Dubois, S, Grach, G, Gondry, M, Belin, P. | Deposit date: | 2012-12-11 | Release date: | 2013-05-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Substrate and Reaction Specificity of Mycobacterium tuberculosis Cytochrome P450 CYP121: INSIGHTS FROM BIOCHEMICAL STUDIES AND CRYSTAL STRUCTURES. J.Biol.Chem., 288, 2013
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4IBF
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![BU of 4ibf by Molmil](/molmil-images/mine/4ibf) | Ebola virus VP35 bound to small molecule | Descriptor: | (4-{(2R)-2-(4-bromothiophen-2-yl)-3-[(5-chlorothiophen-2-yl)carbonyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}phenyl)acetic acid, Polymerase cofactor VP35 | Authors: | Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-12-08 | Release date: | 2014-03-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.291 Å) | Cite: | In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity. J.Mol.Biol., 426, 2014
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4IGE
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![BU of 4ige by Molmil](/molmil-images/mine/4ige) | Crystal structure of Plasmodium falciparum FabI complexed with NAD and inhibitor 7-(4-Chloro-2-hydroxyphenoxy)-4-methyl-2H-chromen-2-one | Descriptor: | 7-(4-chloro-2-hydroxyphenoxy)-4-methyl-2H-chromen-2-one, Enoyl-acyl carrier reductase, GLYCEROL, ... | Authors: | Kostrewa, D, Perozzo, R. | Deposit date: | 2012-12-17 | Release date: | 2013-11-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Design, Synthesis, and Biological and Crystallographic Evaluation of Novel Inhibitors of Plasmodium falciparum Enoyl-ACP-reductase (PfFabI) J.Med.Chem., 56, 2013
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4IBK
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![BU of 4ibk by Molmil](/molmil-images/mine/4ibk) | Ebola virus VP35 bound to small molecule | Descriptor: | 3-{(2S)-2-(7-chloro-1,3-benzodioxol-5-yl)-3-[(5-chlorothiophen-2-yl)carbonyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}benzoic acid, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K. | Deposit date: | 2012-12-08 | Release date: | 2014-03-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity. J.Mol.Biol., 426, 2014
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