6HB2
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![BU of 6hb2 by Molmil](/molmil-images/mine/6hb2) | Structure of Hgh1, crystal form I, Selenomethionine derivative | Descriptor: | CHLORIDE ION, Protein HGH1 | Authors: | Moenkemeyer, L, Klaips, C.L, Balchin, D, Koerner, R, Hartl, F.U, Bracher, A. | Deposit date: | 2018-08-09 | Release date: | 2019-02-27 | Last modified: | 2019-04-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Chaperone Function of Hgh1 in the Biogenesis of Eukaryotic Elongation Factor 2. Mol.Cell, 74, 2019
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6HKR
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![BU of 6hkr by Molmil](/molmil-images/mine/6hkr) | Human Cellular Retinoic Acid Binding Protein II (CRABPII) with bound synthetic retinoid DC271. | Descriptor: | 1,2-ETHANEDIOL, 4-[2-(4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinolin-6-yl)ethynyl]benzoic acid, Cellular retinoic acid-binding protein 2, ... | Authors: | Tomlinson, C, Chisholm, D, Whiting, A, Pohl, E. | Deposit date: | 2018-09-07 | Release date: | 2018-11-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Novel Fluorescence Competition Assay for Retinoic Acid Binding Proteins. ACS Med Chem Lett, 9, 2018
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4WZX
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![BU of 4wzx by Molmil](/molmil-images/mine/4wzx) | ULK3 regulates cytokinetic abscission by phosphorylating ESCRT-III proteins | Descriptor: | COBALT (II) ION, IST1 homolog, SULFATE ION, ... | Authors: | Caballe, A, Wenzel, D.M, Agromayor, M, Alam, S.L, Skalicky, J.J, Kloc, M, Carlton, J.G, Labrador, L, Sundquist, W.I, Martin-Serrano, J. | Deposit date: | 2014-11-20 | Release date: | 2015-06-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.3859 Å) | Cite: | ULK3 regulates cytokinetic abscission by phosphorylating ESCRT-III proteins. Elife, 4, 2015
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4WZZ
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![BU of 4wzz by Molmil](/molmil-images/mine/4wzz) | CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM CLOSTRIDIUM PHYTOFERMENTAS (Cphy_0583, TARGET EFI-511148) WITH BOUND L-RHAMNOSE | Descriptor: | 1,2-ETHANEDIOL, Putative sugar ABC transporter, substrate-binding protein, ... | Authors: | Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-11-20 | Release date: | 2014-12-17 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM CLOSTRIDIUM PHYTOFERMENTAS (Cphy_0583, TARGET EFI-511148) WITH BOUND L-RHAMNOSE To be published
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4X0G
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![BU of 4x0g by Molmil](/molmil-images/mine/4x0g) | Structure of Bsg25A binding with DNA | Descriptor: | ACETATE ION, Blastoderm-specific gene 25A, DNA (5'-D(*GP*TP*TP*CP*CP*AP*AP*TP*TP*GP*GP*AP*A)-3') | Authors: | Ren, A. | Deposit date: | 2014-11-21 | Release date: | 2015-01-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.2065 Å) | Cite: | Common and distinct DNA-binding and regulatory activities of the BEN-solo transcription factor family. Genes Dev., 29, 2015
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4M07
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![BU of 4m07 by Molmil](/molmil-images/mine/4m07) | Crystal Structure of Mutant Chlorite Dismutase from Candidatus Nitrospira defluvii W145F | Descriptor: | 1,2-ETHANEDIOL, Chlorite dismutase, GLYCEROL, ... | Authors: | Hagmueller, A, Gysel, K, Djinovic-Carugo, K. | Deposit date: | 2013-08-01 | Release date: | 2014-01-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Manipulating conserved heme cavity residues of chlorite dismutase: effect on structure, redox chemistry, and reactivity. Biochemistry, 53, 2014
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6HLO
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![BU of 6hlo by Molmil](/molmil-images/mine/6hlo) | Crystal structure of the Neurokinin 1 receptor in complex with the small molecule antagonist Aprepitant | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-[[(2~{R},3~{S})-2-[(1~{R})-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one, CITRIC ACID, ... | Authors: | Schoppe, J, Ehrenmann, J, Klenk, C, Rucktooa, P, Schutz, M, Dore, A.S, Pluckthun, A. | Deposit date: | 2018-09-11 | Release date: | 2019-01-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures of the human neurokinin 1 receptor in complex with clinically used antagonists. Nat Commun, 10, 2019
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4WWF
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![BU of 4wwf by Molmil](/molmil-images/mine/4wwf) | High-resolution structure of two Ni-bound forms of the M123C mutant of C. metallidurans CnrXs | Descriptor: | NICKEL (II) ION, Nickel and cobalt resistance protein CnrR, SODIUM ION | Authors: | Volbeda, A, Coves, J, Maillard, A.P, Kinnemann, S, Grosse, C, Schleuder, G, Petit-Hurtlein, I, de Rosny, E, Nies, D.H. | Deposit date: | 2014-11-10 | Release date: | 2015-02-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Response of CnrX from Cupriavidus metallidurans CH34 to nickel binding. Metallomics, 7, 2015
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2VM1
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![BU of 2vm1 by Molmil](/molmil-images/mine/2vm1) | Crystal structure of barley thioredoxin h isoform 1 crystallized using ammonium sulfate as precipitant | Descriptor: | SULFATE ION, THIOREDOXIN H ISOFORM 1. | Authors: | Maeda, K, Hagglund, P, Finnie, C, Svensson, B, Henriksen, A. | Deposit date: | 2008-01-21 | Release date: | 2008-04-29 | Last modified: | 2017-07-12 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structures of Barley Thioredoxin H Isoforms Hvtrxh1 and Hvtrxh2 Reveal Features Involved in Protein Recognition and Possibly in Discriminating the Isoform Specificity. Protein Sci., 17, 2008
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6HLZ
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![BU of 6hlz by Molmil](/molmil-images/mine/6hlz) | Structure in C2 form of the PBP AgtB from A.tumefacien R10 in complex with agropinic acid | Descriptor: | 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, Agropine permease, ... | Authors: | Morera, S, Marty, L, Vigouroux, A. | Deposit date: | 2018-09-11 | Release date: | 2018-12-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structural basis for two efficient modes of agropinic acid opine import into the bacterial pathogenAgrobacterium tumefaciens. Biochem. J., 476, 2019
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2VLU
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![BU of 2vlu by Molmil](/molmil-images/mine/2vlu) | Crystal structure of barley thioredoxin h isoform 2 in partially radiation-reduced state | Descriptor: | THIOREDOXIN H ISOFORM 2. | Authors: | Maeda, K, Hagglund, P, Finnie, C, Svensson, B, Henriksen, A. | Deposit date: | 2008-01-16 | Release date: | 2008-04-29 | Last modified: | 2017-07-12 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structures of Barley Thioredoxin H Isoforms Hvtrxh1 and Hvtrxh2 Reveal Features Involved in Protein Recognition and Possibly in Discriminating the Isoform Specificity. Protein Sci., 17, 2008
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6HH3
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![BU of 6hh3 by Molmil](/molmil-images/mine/6hh3) | ADP-ribosylserine hydrolase ARH3 of Latimeria chalumnae in complex with ADP-HPD | Descriptor: | 5'-O-[(S)-{[(S)-{[(2R,3R,4S)-3,4-DIHYDROXYPYRROLIDIN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]ADENOSINE, ADP-ribosylhydrolase like 2, GLYCEROL, ... | Authors: | Ariza, A. | Deposit date: | 2018-08-24 | Release date: | 2018-11-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | (ADP-ribosyl)hydrolases: Structural Basis for Differential Substrate Recognition and Inhibition. Cell Chem Biol, 25, 2018
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2VBM
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![BU of 2vbm by Molmil](/molmil-images/mine/2vbm) | Tailspike protein of bacteriophage Sf6 complexed with tetrasaccharide | Descriptor: | MAGNESIUM ION, MANGANESE (II) ION, PHOSPHATE ION, ... | Authors: | Mueller, J.J, Barbirz, S, Freiberg, A, Seckler, R, Heinemann, U. | Deposit date: | 2007-09-14 | Release date: | 2008-04-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | An Intersubunit Active Site between Supercoiled Parallel Beta Helices in the Trimeric Tailspike Endorhamnosidase of Shigella Flexneri Phage Sf6. Structure, 16, 2008
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4M05
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![BU of 4m05 by Molmil](/molmil-images/mine/4m05) | Crystal Structure of Mutant Chlorite Dismutase from Candidatus Nitrospira defluvii R173E | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Chlorite dismutase, ... | Authors: | Gysel, K, Hagmueller, A, Djinovic-Carugo, K. | Deposit date: | 2013-08-01 | Release date: | 2014-01-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Manipulating conserved heme cavity residues of chlorite dismutase: effect on structure, redox chemistry, and reactivity. Biochemistry, 53, 2014
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4WRA
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![BU of 4wra by Molmil](/molmil-images/mine/4wra) | Complex of 70S ribosome with tRNA-Tyr and mRNA with A-A mismatch in the first position in the A-site and with antibiotic paromomycin. | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Rozov, A, Demeshkina, N, Yusupov, M, Yusupova, G. | Deposit date: | 2014-10-23 | Release date: | 2015-06-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Structural insights into the translational infidelity mechanism. Nat Commun, 6, 2015
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1B7V
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![BU of 1b7v by Molmil](/molmil-images/mine/1b7v) | Structure of the C-553 cytochrome from Bacillus pasteruii to 1.7 A resolution | Descriptor: | HEME C, PROTEIN (CYTOCHROME C-553) | Authors: | Gonzalez, A, Benini, S, Rypniewski, W.R, Wilson, K.S, Ciurli, S. | Deposit date: | 1999-01-22 | Release date: | 2000-03-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of oxidized Bacillus pasteurii cytochrome c553 at 0.97-A resolution. Biochemistry, 39, 2000
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4WVC
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![BU of 4wvc by Molmil](/molmil-images/mine/4wvc) | Crystal structure of GH63 mannosylglycerate hydrolase from Thermus thermophilus HB8 in complex with Tris and D-glycerate | Descriptor: | (2R)-2,3-DIHYDROXYPROPANOIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | Miyazaki, T, Ichikawa, M, Nishikawa, A, Tonozuka, T. | Deposit date: | 2014-11-05 | Release date: | 2015-03-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure and substrate-binding mode of GH63 mannosylglycerate hydrolase from Thermus thermophilus HB8. J.Struct.Biol., 190, 2015
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6HK3
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![BU of 6hk3 by Molmil](/molmil-images/mine/6hk3) | Crystal structure of GSK-3B in complex with pyrazine inhibitor C44 | Descriptor: | 3-azanyl-~{N}-(2-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Piretti, V, Giabbai, B, Demitri, N, Di Martino, R, Tripathi, S.K, Gobbo, D, Decherchi, S, Storici, P, Girotto, S, Cavalli, A. | Deposit date: | 2018-09-05 | Release date: | 2019-07-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Investigating Drug-Target Residence Time in Kinases through Enhanced Sampling Simulations. J Chem Theory Comput, 15, 2019
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6HK7
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![BU of 6hk7 by Molmil](/molmil-images/mine/6hk7) | Crystal structure of GSK-3B in complex with pyrazine inhibitor C50 | Descriptor: | 3-azanyl-~{N}-(2-methoxyethyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Piretti, V, Giabbai, B, Demitri, N, Di Martino, R, Tripathi, S.K, Gobbo, D, Decherchi, S, Storici, P, Girotto, S, Cavalli, A. | Deposit date: | 2018-09-05 | Release date: | 2019-07-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Investigating Drug-Target Residence Time in Kinases through Enhanced Sampling Simulations. J Chem Theory Comput, 15, 2019
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4WQ1
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![BU of 4wq1 by Molmil](/molmil-images/mine/4wq1) | Complex of 70S ribosome with tRNA-Tyr and mRNA with C-A mismatch in the first position in the A-site. | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Rozov, A, Demeshkina, N, Yusupov, M, Yusupova, G. | Deposit date: | 2014-10-21 | Release date: | 2015-06-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural insights into the translational infidelity mechanism. Nat Commun, 6, 2015
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6HKM
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![BU of 6hkm by Molmil](/molmil-images/mine/6hkm) | Crystal structure of Compound 1 with ERK5 | Descriptor: | Mitogen-activated protein kinase 7, [4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-[4-(trifluoromethyloxy)phenyl]methanone | Authors: | Nguyen, D, Lemos, C, Wortmann, L, Eis, K, Holton, S.J, Boemer, U, Lechner, C, Prechtl, S, Suelze, D, Siegel, F, Prinz, F, Lesche, R, Nicke, B, Mumberg, D, Bauser, M, Haegebarth, A. | Deposit date: | 2018-09-07 | Release date: | 2019-02-27 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Discovery and Characterization of the Potent and Highly Selective (Piperidin-4-yl)pyrido[3,2- d]pyrimidine Based in Vitro Probe BAY-885 for the Kinase ERK5. J. Med. Chem., 62, 2019
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4WF8
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![BU of 4wf8 by Molmil](/molmil-images/mine/4wf8) | Crystal structure of NS3/4A protease in complex with Asunaprevir | Descriptor: | CHLORIDE ION, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-L-prolinamide, NS3 protein, ... | Authors: | Schiffer, C.A, Soumana, D.I, Ali, A. | Deposit date: | 2014-09-13 | Release date: | 2014-10-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Analysis of Asunaprevir Resistance in HCV NS3/4A Protease. Acs Chem.Biol., 9, 2014
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1BTH
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![BU of 1bth by Molmil](/molmil-images/mine/1bth) | |
6HNS
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6D0K
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![BU of 6d0k by Molmil](/molmil-images/mine/6d0k) | Crystal structure of a CLC-type fluoride/proton antiporter, E118Q mutant | Descriptor: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, CLC-type fluoride/proton antiporter, DECYL-BETA-D-MALTOPYRANOSIDE, ... | Authors: | Last, N.B, Stockbridge, R.B, Wilson, A.E, Shane, T, Kolmakova-Partensky, L, Koide, A, Koide, S, Miller, C. | Deposit date: | 2018-04-10 | Release date: | 2018-07-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | A CLC-type F-/H+antiporter in ion-swapped conformations. Nat. Struct. Mol. Biol., 25, 2018
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