4X2S
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4WKZ
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![BU of 4wkz by Molmil](/molmil-images/mine/4wkz) | Complex of autonomous ScaG cohesin CohG and X-doc domains | Descriptor: | ACETATE ION, Autonomous cohesin, CALCIUM ION, ... | Authors: | Voronov-Goldman, M, Lamed, R, Bayer, E.A, Yaniv, O, Shimon, L.J.W. | Deposit date: | 2014-10-05 | Release date: | 2015-12-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Complex of autonomous ScaG cohesin CohG and X-doc domains To Be Published
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4X5R
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![BU of 4x5r by Molmil](/molmil-images/mine/4x5r) | Crystal structure of FimH in complex with a squaryl-phenyl alpha-D-mannopyranoside derivative | Descriptor: | 2-chloro-4-{[2-(4-methylpiperazin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}phenyl alpha-D-mannopyranoside, Protein FimH, SULFATE ION | Authors: | Preston, R.C, Jakob, R.P, Fiege, B, Zihlmann, P, Rabbani, S, Schwardt, O, Jiang, X, Ernst, B, Maier, T. | Deposit date: | 2014-12-05 | Release date: | 2015-05-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | The Tyrosine Gate of the Bacterial Lectin FimH: A Conformational Analysis by NMR Spectroscopy and X-ray Crystallography. Chembiochem, 16, 2015
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4WNA
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![BU of 4wna by Molmil](/molmil-images/mine/4wna) | Structure of the Nitrogenase MoFe Protein from Azotobacter vinelandii Pressurized with Xenon | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (III) ION, FE(8)-S(7) CLUSTER, ... | Authors: | Morrison, C.N, Hoy, J.A, Zhang, L, Einsle, O, Rees, D.C. | Deposit date: | 2014-10-11 | Release date: | 2015-03-18 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Substrate Pathways in the Nitrogenase MoFe Protein by Experimental Identification of Small Molecule Binding Sites. Biochemistry, 54, 2015
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4X5P
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![BU of 4x5p by Molmil](/molmil-images/mine/4x5p) | Crystal structure of FimH in complex with a benzoyl-amidophenyl alpha-D-mannopyranoside | Descriptor: | 4-{[3-chloro-4-(alpha-D-mannopyranosyloxy)phenyl]carbamoyl}benzoic acid, Protein FimH | Authors: | Preston, R.C, Jakob, R.P, Fiege, B, Zihlmann, P, Rabbani, S, Schwardt, O, Jiang, X, Ernst, B, Maier, T. | Deposit date: | 2014-12-05 | Release date: | 2015-05-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (0.997 Å) | Cite: | The Tyrosine Gate of the Bacterial Lectin FimH: A Conformational Analysis by NMR Spectroscopy and X-ray Crystallography. Chembiochem, 16, 2015
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4WRP
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![BU of 4wrp by Molmil](/molmil-images/mine/4wrp) | The C-terminal domain of gene product lpg0944 from Legionella pneumophila subsp. pneumophila str. Philadelphia 1 | Descriptor: | Uncharacterized protein | Authors: | Cuff, M.E, Evdokimova, E, Egorova, O, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2014-10-24 | Release date: | 2015-03-18 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The C-terminal domain of gene product lpg0944 from Legionella pneumophila subsp. pneumophila str. Philadelphia 1. To Be Published
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4WSL
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![BU of 4wsl by Molmil](/molmil-images/mine/4wsl) | Crystal structure of designed cPPR-polyC protein | Descriptor: | Pentatricopeptide repeat protein | Authors: | Coquille, S.C, Filipovska, A, Chia, T.S, Rajappa, L, Lingford, J.P, Razif, M.F.M, Thore, S, Rackham, O. | Deposit date: | 2014-10-28 | Release date: | 2014-12-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | An artificial PPR scaffold for programmable RNA recognition. Nat Commun, 5, 2014
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4X35
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![BU of 4x35 by Molmil](/molmil-images/mine/4x35) | A micro-patterned silicon chip as sample holder for macromolecular crystallography experiments with minimal background scattering | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Roedig, P, Vartiainen, I, Duman, R, Panneerselvam, S, Stuebe, N, Lorbeer, O, Warmer, M, Sutton, G, Stuart, D.I, Weckert, E, David, C, Wagner, A, Meents, A. | Deposit date: | 2014-11-27 | Release date: | 2015-06-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A micro-patterned silicon chip as sample holder for macromolecular crystallography experiments with minimal background scattering. Sci Rep, 5, 2015
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4X50
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![BU of 4x50 by Molmil](/molmil-images/mine/4x50) | Crystal structure of FimH in complex with biphenyl alpha-D-mannopyranoside | Descriptor: | Protein FimH, biphenyl-4-yl alpha-D-mannopyranoside | Authors: | Preston, R.C, Jakob, R.P, Fiege, B, Zihlmann, P, Rabbani, S, Schwardt, O, Jiang, X, Ernst, B, Maier, T. | Deposit date: | 2014-12-04 | Release date: | 2015-05-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Tyrosine Gate of the Bacterial Lectin FimH: A Conformational Analysis by NMR Spectroscopy and X-ray Crystallography. Chembiochem, 16, 2015
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4X5Q
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![BU of 4x5q by Molmil](/molmil-images/mine/4x5q) | Crystal structure of FimH in complex with 5-nitro-indolinylphenyl alpha-D-mannopyranoside | Descriptor: | 4-(5-nitro-1H-indol-1-yl)phenyl alpha-D-mannopyranoside, Protein FimH | Authors: | Preston, R.C, Jakob, R.P, Fiege, B, Zihlmann, P, Rabbani, S, Schwardt, O, Jiang, X, Ernst, B, Maier, T. | Deposit date: | 2014-12-05 | Release date: | 2015-05-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | The Tyrosine Gate of the Bacterial Lectin FimH: A Conformational Analysis by NMR Spectroscopy and X-ray Crystallography. Chembiochem, 16, 2015
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4X8C
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![BU of 4x8c by Molmil](/molmil-images/mine/4x8c) | Crystal structure of human peptidylarginine deiminase type4 (PAD4) in complex with GSK147 | Descriptor: | CALCIUM ION, Protein-arginine deiminase type-4, [(3S,4R)-3-amino-4-hydroxypiperidin-1-yl]{2-[1-(cyclopropylmethyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methyl-1H-benzimidazol-5-yl}methanone | Authors: | Lewis, H.D, Bax, B.D, Chung, C.-W, Polyakova, O, Thorpe, J. | Deposit date: | 2014-12-10 | Release date: | 2015-01-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Inhibition of PAD4 activity is sufficient to disrupt mouse and human NET formation. Nat.Chem.Biol., 11, 2015
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4WO8
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![BU of 4wo8 by Molmil](/molmil-images/mine/4wo8) | The substrate-free duplicated taurocyamine kinase from Schistosoma mansoni | Descriptor: | Taurocyamine kinase | Authors: | Merceron, R, Awama, A, Montserret, R, Marcillat, O, Gouet, P. | Deposit date: | 2014-10-15 | Release date: | 2015-04-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Substrate-free and -bound Crystal Structures of the Duplicated Taurocyamine Kinase from the Human Parasite Schistosoma mansoni. J.Biol.Chem., 290, 2015
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7P0O
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![BU of 7p0o by Molmil](/molmil-images/mine/7p0o) | mitoNEET bound to M1 molecule | Descriptor: | 2-benzamido-4-[(2~{R})-1,2,3,4-tetrahydronaphthalen-2-yl]thiophene-3-carboxylic acid, 2-benzamido-4-[(2~{S})-1,2,3,4-tetrahydronaphthalen-2-yl]thiophene-3-carboxylic acid, CDGSH iron-sulfur domain-containing protein 1, ... | Authors: | Livnah, O, Eisenberg-Domovich, Y, Marjault, H.B, Nechushtai, R. | Deposit date: | 2021-06-30 | Release date: | 2022-05-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | An anti-diabetic drug targets NEET (CISD) proteins through destabilization of their [2Fe-2S] clusters. Commun Biol, 5, 2022
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7P0P
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![BU of 7p0p by Molmil](/molmil-images/mine/7p0p) | NAF-1 bound to M1 molecule | Descriptor: | 2-benzamido-4-[(2~{R})-1,2,3,4-tetrahydronaphthalen-2-yl]thiophene-3-carboxylic acid, CDGSH iron-sulfur domain-containing protein 2, FE2/S2 (INORGANIC) CLUSTER | Authors: | Livnah, O, Eisenberg-Domovich, Y, Marjault, H.B, Nechushtai, R. | Deposit date: | 2021-06-30 | Release date: | 2022-05-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | An anti-diabetic drug targets NEET (CISD) proteins through destabilization of their [2Fe-2S] clusters. Commun Biol, 5, 2022
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4X33
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![BU of 4x33 by Molmil](/molmil-images/mine/4x33) | Structure of the Elongator cofactor complex Kti11/Kti13 at 1.45A | Descriptor: | 1,2-DIMETHOXYETHANE, CHLORIDE ION, Diphthamide biosynthesis protein 3, ... | Authors: | Kolaj-Robin, O, McEwen, A.G, Cavarelli, J, Seraphin, B. | Deposit date: | 2014-11-27 | Release date: | 2015-01-21 | Last modified: | 2015-03-11 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structure of the Elongator cofactor complex Kti11/Kti13 provides insight into the role of Kti13 in Elongator-dependent tRNA modification. Febs J., 282, 2015
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4X57
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4WWY
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![BU of 4wwy by Molmil](/molmil-images/mine/4wwy) | human cationic trypsin G193R mutant in complex with bovine pancreatic trypsin inhibitor | Descriptor: | CALCIUM ION, Pancreatic trypsin inhibitor, SULFATE ION, ... | Authors: | Alloy, A, Kayode, O, Soares, A.S, Wang, R, Radisky, E.S. | Deposit date: | 2014-11-12 | Release date: | 2015-07-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Mesotrypsin Has Evolved Four Unique Residues to Cleave Trypsin Inhibitors as Substrates. J.Biol.Chem., 290, 2015
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6ENQ
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![BU of 6enq by Molmil](/molmil-images/mine/6enq) | Structure of human PPAR gamma LBD in complex with Lanifibranor (IVA337) | Descriptor: | 4-[1-(1,3-benzothiazol-6-ylsulfonyl)-5-chloro-indol-2-yl]butanoic acid, Peroxisome proliferator-activated receptor gamma | Authors: | Boubia, B, Poupardin, O, Barth, M, Amaudrut, J, Broqua, P, Tallandier, M, Zeyer, D. | Deposit date: | 2017-10-06 | Release date: | 2018-03-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Design, Synthesis, and Evaluation of a Novel Series of Indole Sulfonamide Peroxisome Proliferator Activated Receptor (PPAR) alpha / gamma / delta Triple Activators: Discovery of Lanifibranor, a New Antifibrotic Clinical Candidate. J. Med. Chem., 61, 2018
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6HNF
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![BU of 6hnf by Molmil](/molmil-images/mine/6hnf) | Structure in solution of human fibronectin type III-domain 14 | Descriptor: | Fibronectin | Authors: | Zhong, X, Arnolds, O, Krenczyk, O, Gajewski, J, Puetz, S, Herrmann, C, Stoll, R. | Deposit date: | 2018-09-14 | Release date: | 2018-10-10 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | The Structure in Solution of Fibronectin Type III Domain 14 Reveals Its Synergistic Heparin Binding Site. Biochemistry, 57, 2018
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2OZF
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![BU of 2ozf by Molmil](/molmil-images/mine/2ozf) | The crystal structure of the 2nd PDZ domain of the human NHERF-1 (SLC9A3R1) | Descriptor: | Ezrin-radixin-moesin-binding phosphoprotein 50 | Authors: | Phillips, C, Papagrigoriou, E, Gileadi, C, Fedorov, O, Elkins, J, Berridge, G, Turnbull, A.P, Gileadi, O, Schoch, G, Smee, C, Bray, J, Savitsky, P, Uppenberg, J, von Delft, F, Gorrec, F, Umeano, C, Salah, E, Colebrook, S, Weigelt, J, Arrowsmith, C.H, Edwards, A, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC) | Deposit date: | 2007-02-26 | Release date: | 2007-03-13 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The crystal structure of the 2nd PDZ domain of the human NHERF-1 (SLC9A3R1) To be Published
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2Q3H
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![BU of 2q3h by Molmil](/molmil-images/mine/2q3h) | The crystal structure of RhouA in the GDP-bound state. | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ras homolog gene family, ... | Authors: | Gileadi, C, Yang, X, Papagrigoriou, E, Elkins, J, Zhao, Y, Bray, J, Gileadi, O, Umeano, C, Ugochukwu, E, Uppenberg, J, Bunkoczi, G, von Delft, F, Pike, A.C.W, Phillips, C, Savitsky, P, Fedorov, O, Edwards, A, Weigelt, J, Arrowsmith, C.H, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC) | Deposit date: | 2007-05-30 | Release date: | 2007-06-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | The crystal structure of RhouA in the GDP-bound state. To be Published
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5Y79
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![BU of 5y79 by Molmil](/molmil-images/mine/5y79) | Crystal structure of the triose-phosphate/phosphate translocator in complex with 3-phosphoglycerate | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-PHOSPHOGLYCERIC ACID, CITRATE ANION, ... | Authors: | Lee, Y, Nishizawa, T, Takemoto, M, Kumazaki, K, Yamashita, K, Hirata, K, Minoda, A, Nagatoishi, S, Tsumoto, K, Ishitani, R, Nureki, O. | Deposit date: | 2017-08-16 | Release date: | 2017-10-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of the triose-phosphate/phosphate translocator reveals the basis of substrate specificity Nat Plants, 3, 2017
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6MV0
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![BU of 6mv0 by Molmil](/molmil-images/mine/6mv0) | CO-bound Sperm Whale Myoglobin, room temperature structure solved by serial 5degree oscillation crystallography | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Finke, A.D, Wierman, J.L, Pare-Labrosse, O, Sarrachini, A, Besaw, J, Mehrabi, P, Gruner, S.M, Miller, R.J.D. | Deposit date: | 2018-10-24 | Release date: | 2019-03-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Fixed-target serial oscillation crystallography at room temperature. IUCrJ, 6, 2019
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6N3L
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![BU of 6n3l by Molmil](/molmil-images/mine/6n3l) | Identification of novel, potent and selective GCN2 inhibitors as first-in-class anti-tumor agents | Descriptor: | N-{6-[(1-methyl-2-{[4-(trifluoromethyl)phenyl]amino}-1H-benzimidazol-5-yl)oxy]pyrimidin-4-yl}cyclopropanecarboxamide, eIF-2-alpha kinase GCN2,eIF-2-alpha kinase GCN2 | Authors: | Hoffman, I.D, Fujimoto, J, Kurasawa, O, Takagi, T, Klein, M.G, Kefala, G, Ding, S.C, Cary, D.R, Mizojiri, R. | Deposit date: | 2018-11-15 | Release date: | 2019-10-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Identification of Novel, Potent, and Orally Available GCN2 Inhibitors with Type I Half Binding Mode. Acs Med.Chem.Lett., 10, 2019
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5YHJ
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![BU of 5yhj by Molmil](/molmil-images/mine/5yhj) | Cytochrome P450EX alpha (CYP152N1) wild-type with myristic acid | Descriptor: | Cytochrome P450, MYRISTIC ACID, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Onoda, H, Shoji, O, Suzuki, K, Sugimoto, H, Shiro, Y, Watanabe, Y. | Deposit date: | 2017-09-28 | Release date: | 2017-12-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Alpha-Oxidative Decarboxylation of Fatty Acids Catalysed by Cytochrome P450 Peroxygenases Yielding Shorter-Alkyl-Chain Fatty Acids Catalysis Science And Technology, 2017
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