3FPK
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![BU of 3fpk by Molmil](/molmil-images/mine/3fpk) | Crystal Structure of Ferredoxin-NADP Reductase from Salmonella typhimurium | Descriptor: | CALCIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin-NADP reductase, ... | Authors: | Kim, Y, Gu, M, Stam, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-01-05 | Release date: | 2009-02-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure of Ferredoxin-NADP Reductase from Salmonella typhimurium To be Published
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3FLH
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![BU of 3flh by Molmil](/molmil-images/mine/3flh) | Crystal structure of lp_1913 protein from Lactobacillus plantarum,Northeast Structural Genomics Consortium Target LpR140B | Descriptor: | BROMIDE ION, uncharacterized protein lp_1913 | Authors: | Seetharaman, J, Chen, Y, Forouhar, F, Sahdev, S, Foote, E.L, Ciccosanti, C, Belote, R.L, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2008-12-18 | Release date: | 2009-01-13 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of lp_1913 protein from Lactobacillus plantarum,Northeast Structural Genomics Consortium Target LpR140B To be Published
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6EW3
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![BU of 6ew3 by Molmil](/molmil-images/mine/6ew3) | Crystal structure of the metallo-beta-lactamase VIM-2 with ML302F | Descriptor: | (2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Collins, P.M, Brem, J, McDonough, M.A, van Berkel, S.S, von Delft, F, Schofield, C.J. | Deposit date: | 2017-11-03 | Release date: | 2018-10-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases. Bioorg. Med. Chem., 26, 2018
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6F8Y
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![BU of 6f8y by Molmil](/molmil-images/mine/6f8y) | Crystal structure of P. abyssi Sua5 complexed with L-threonine | Descriptor: | THREONINE, Threonylcarbamoyl-AMP synthase | Authors: | Pichard-Kostuch, A, Zhang, W, Liger, D, Daugeron, M.C, Letoquart, J, Li de la Sierra-Gallay, I, Forterre, P, Collinet, B, van Tilbeurgh, H, Basta, T. | Deposit date: | 2017-12-13 | Release date: | 2018-04-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | Structure-function analysis of Sua5 protein reveals novel functional motifs required for the biosynthesis of the universal t6A tRNA modification. RNA, 24, 2018
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6EWE
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![BU of 6ewe by Molmil](/molmil-images/mine/6ewe) | Crystal structure of BCII Metallo-beta-lactamase in complex with DZ-308 | Descriptor: | (~{Z})-3-(1-benzothiophen-3-yl)-2-sulfanyl-prop-2-enoic acid, GLYCEROL, Metallo-beta-lactamase type 2, ... | Authors: | Stepanovs, D, McDonough, M.A, Schofield, C.J, Zhang, D, El-Husseiny, A, Brem, J. | Deposit date: | 2017-11-03 | Release date: | 2018-10-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases. Bioorg. Med. Chem., 26, 2018
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6AZR
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![BU of 6azr by Molmil](/molmil-images/mine/6azr) | Crystal structure of the T264A HK853cp-BeF3-RR468 complex | Descriptor: | Chemotaxis regulator-transmits chemoreceptor signals to flagelllar motor components CheY, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Rose, J, Zhou, P. | Deposit date: | 2017-09-11 | Release date: | 2017-12-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.628 Å) | Cite: | A pH-gated conformational switch regulates the phosphatase activity of bifunctional HisKA-family histidine kinases. Nat Commun, 8, 2017
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2J51
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![BU of 2j51 by Molmil](/molmil-images/mine/2j51) | Crystal structure of Human STE20-like kinase bound to 5-Amino-3-((4-(aminosulfonyl)phenyl)amino) -N-(2,6-difluorophenyl)-1H-1,2,4-triazole- 1-carbothioamide | Descriptor: | 1,2-ETHANEDIOL, 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE, STE20-LIKE SERINE/THREONINE-PROTEIN KINASE, ... | Authors: | Pike, A.C.W, Rellos, P, Fedorov, O, Keates, T, Salah, E, Savitsky, P, Papagrigoriou, E, Turnbull, A.P, Debreczeni, J.E, von Delft, F, Arrowsmith, C, Edwards, A, Weigelt, J, Sundstrom, M, Knapp, S. | Deposit date: | 2006-09-08 | Release date: | 2006-10-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Activation Segment Dimerization: A Mechanism for Kinase Autophosphorylation of Non-Consensus Sites. Embo J., 27, 2008
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3F4C
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![BU of 3f4c by Molmil](/molmil-images/mine/3f4c) | Crystal structure of organophosphorus hydrolase from Geobacillus stearothermophilus strain 10, with glycerol bound | Descriptor: | COBALT (II) ION, GLYCEROL, Organophosphorus hydrolase | Authors: | Hawwa, R, Aikens, J, Turner, R.J, Santarsiero, B, Mesecar, A. | Deposit date: | 2008-10-31 | Release date: | 2009-09-15 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Structural basis for thermostability revealed through the identification and characterization of a highly thermostable phosphotriesterase-like lactonase from Geobacillus stearothermophilus. Arch.Biochem.Biophys., 488, 2009
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3FQ0
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![BU of 3fq0 by Molmil](/molmil-images/mine/3fq0) | Staphylococcus aureus dihydrofolate reductase complexed with NADPH and 2,4-diamino-5-(3-(2,5-dimethoxyphenyl)prop-1-ynyl)-6-ethylpyrimidine (UCP120B) | Descriptor: | 5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Trimethoprim-sensitive dihydrofolate reductase | Authors: | Anderson, A.C, Frey, K.M, Liu, J, Lombardo, M.N. | Deposit date: | 2009-01-06 | Release date: | 2009-03-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Crystal structures of wild-type and mutant methicillin-resistant Staphylococcus aureus dihydrofolate reductase reveal an alternate conformation of NADPH that may be linked to trimethoprim resistance. J.Mol.Biol., 387, 2009
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6B2M
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![BU of 6b2m by Molmil](/molmil-images/mine/6b2m) | LarE, a sulfur transferase involved in synthesis of the cofactor for lactate racemase in complex with coenzyme A | Descriptor: | ATP-utilizing enzyme of the PP-loopsuperfamily, COENZYME A, PHOSPHATE ION | Authors: | Fellner, M, Hausinger, R.P, Hu, J. | Deposit date: | 2017-09-20 | Release date: | 2018-09-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.088 Å) | Cite: | Analysis of the Active Site Cysteine Residue of the Sacrificial Sulfur Insertase LarE from Lactobacillus plantarum. Biochemistry, 57, 2018
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6B4N
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![BU of 6b4n by Molmil](/molmil-images/mine/6b4n) | a hydroxymethyl functionality at the 4-position of the 2-phenyloxazole moiety of HIV-1 protease inhibitors involving the P2' ligands | Descriptor: | CHLORIDE ION, Protease, SODIUM ION, ... | Authors: | Wang, Y.-F, Agniswamy, J, Weber, I.T. | Deposit date: | 2017-09-27 | Release date: | 2017-11-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Design, Synthesis, Biological Evaluation, and X-ray Studies of HIV-1 Protease Inhibitors with Modified P2' Ligands of Darunavir. ChemMedChem, 12, 2017
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3F63
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![BU of 3f63 by Molmil](/molmil-images/mine/3f63) | |
5NHK
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![BU of 5nhk by Molmil](/molmil-images/mine/5nhk) | Structure of Ferric uptake regulator from francisella tularensis with Iron | Descriptor: | FE (III) ION, Ferric uptake regulation protein, ZINC ION | Authors: | Perard, J, Arnaud, L, Carpentier, P, Michaud-Soret, I, Cavazza, C. | Deposit date: | 2017-03-21 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and functional studies of the metalloregulator Fur identify a promoter-binding mechanism and its role inFrancisella tularensisvirulence. Commun Biol, 1, 2018
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2J2I
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![BU of 2j2i by Molmil](/molmil-images/mine/2j2i) | Crystal Structure of the humab PIM1 in complex with LY333531 | Descriptor: | (9R)-9-[(DIMETHYLAMINO)METHYL]-6,7,10,11-TETRAHYDRO-9H,18H-5,21:12,17-DIMETHENODIBENZO[E,K]PYRROLO[3,4-H][1,4,13]OXADIA ZACYCLOHEXADECINE-18,20-DIONE, PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PIM-1, SULFATE ION | Authors: | Debreczeni, J.E, Bullock, A.N, von Delft, F, Sundstrom, M, Arrowsmith, C, Edwards, A, Weigelt, J, Knapp, S. | Deposit date: | 2006-08-16 | Release date: | 2007-02-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A systematic interaction map of validated kinase inhibitors with Ser/Thr kinases. Proc. Natl. Acad. Sci. U.S.A., 104, 2007
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6B3O
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![BU of 6b3o by Molmil](/molmil-images/mine/6b3o) | Tectonic conformational changes of a coronavirus spike glycoprotein promote membrane fusion | Descriptor: | Spike glycoprotein | Authors: | Walls, A.C, Tortorici, M.A, Snijder, J, Xiong, X, Bosch, B.J, Rey, F.A, Veesler, D. | Deposit date: | 2017-09-22 | Release date: | 2017-10-04 | Last modified: | 2020-01-01 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Tectonic conformational changes of a coronavirus spike glycoprotein promote membrane fusion. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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3F0B
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![BU of 3f0b by Molmil](/molmil-images/mine/3f0b) | Staphylococcus aureus dihydrofolate reductase complexed with NADPH and 2,4-Diamino-5-[3-(3-methoxy-5-phenylphenyl)but-1-ynyl]-6-methylpyrimidine | Descriptor: | 5-[(3R)-3-(5-methoxybiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Trimethoprim-sensitive dihydrofolate reductase | Authors: | Anderson, A.C, Frey, K.M, Liu, J, Lombardo, M.N. | Deposit date: | 2008-10-24 | Release date: | 2009-03-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structures of wild-type and mutant methicillin-resistant Staphylococcus aureus dihydrofolate reductase reveal an alternate conformation of NADPH that may be linked to trimethoprim resistance. J.Mol.Biol., 387, 2009
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3FB9
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![BU of 3fb9 by Molmil](/molmil-images/mine/3fb9) | |
3F1K
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![BU of 3f1k by Molmil](/molmil-images/mine/3f1k) | |
6FCI
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![BU of 6fci by Molmil](/molmil-images/mine/6fci) | Crystal Structure of Human APRT wild type in complex with Adenine, PRPP and Mg2+ | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, ADENINE, Adenine phosphoribosyltransferase, ... | Authors: | Nioche, P, Huyet, J, Ozeir, M. | Deposit date: | 2017-12-20 | Release date: | 2018-08-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Structural Insights into the Forward and Reverse Enzymatic Reactions in Human Adenine Phosphoribosyltransferase. Cell Chem Biol, 25, 2018
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6B8T
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![BU of 6b8t by Molmil](/molmil-images/mine/6b8t) | Multiconformer model of apo WT PTP1B with glycerol at 240 K | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | Deposit date: | 2017-10-09 | Release date: | 2018-06-20 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering. Elife, 7, 2018
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6FFC
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![BU of 6ffc by Molmil](/molmil-images/mine/6ffc) | Structure of an inhibitor-bound ABC transporter | Descriptor: | ATP-binding cassette sub-family G member 2, ~{tert}-butyl 3-[(2~{S},5~{S},8~{S})-14-cyclopentyloxy-2-(2-methylpropyl)-4,7-bis(oxidanylidene)-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoate | Authors: | Jackson, S.M, Manolaridis, I, Kowal, J, Zechner, M, Taylor, N.M.I, Bause, M, Bauer, S, Bartholomaeus, R, Stahlberg, H, Bernhardt, G, Koenig, B, Buschauer, A, Altmann, K.H, Locher, K.P. | Deposit date: | 2018-01-06 | Release date: | 2018-04-11 | Last modified: | 2019-12-11 | Method: | ELECTRON MICROSCOPY (3.56 Å) | Cite: | Structural basis of small-molecule inhibition of human multidrug transporter ABCG2. Nat. Struct. Mol. Biol., 25, 2018
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8TBV
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![BU of 8tbv by Molmil](/molmil-images/mine/8tbv) | Human Class I MHC HLA-A2 in complex with sorting nexin 24 (127-135) neoantigen KLSHQLVLL | Descriptor: | Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Arbuiso, A, Weiss, L.I, Brambley, C.A, Ma, J, Keller, G.L.J, Ayres, C.M, Baker, B.M. | Deposit date: | 2023-06-29 | Release date: | 2024-01-17 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Accurate modeling of peptide-MHC structures with AlphaFold. Structure, 32, 2024
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3FIP
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![BU of 3fip by Molmil](/molmil-images/mine/3fip) | Crystal structure of Usher PapC translocation pore | Descriptor: | Outer membrane usher protein papC | Authors: | Huang, Y, Deisenhofer, J. | Deposit date: | 2008-12-12 | Release date: | 2009-09-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.154 Å) | Cite: | Insights into pilus assembly and secretion from the structure and functional characterization of usher PapC. Proc.Natl.Acad.Sci.USA, 106, 2009
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6BAI
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![BU of 6bai by Molmil](/molmil-images/mine/6bai) | Multiconformer model of apo K197C PTP1B at 100 K | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | Deposit date: | 2017-10-12 | Release date: | 2018-06-20 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering. Elife, 7, 2018
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3FJA
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![BU of 3fja by Molmil](/molmil-images/mine/3fja) | |