3L86
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5H2S
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3L8P
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![BU of 3l8p by Molmil](/molmil-images/mine/3l8p) | Crystal structure of cytoplasmic kinase domain of Tie2 complexed with inhibitor CEP11207 | Descriptor: | 2-methyl-11-(1-methylethyl)-8-[(2S)-tetrahydro-2H-pyran-2-yl]-2,11,12,13-tetrahydro-4H-indazolo[5,4-a]pyrrolo[3,4-c]carbazol-4-one, Angiopoietin-1 receptor | Authors: | Fedorov, A.A, Fedorov, E.V, Pauletti, D, Meyer, S.L, Hudkins, R.L, Almo, S.C. | Deposit date: | 2010-01-03 | Release date: | 2010-10-06 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of cytoplasmic kinase domain of Tie2 complexed with inhibitor CEP11207 To be Published
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5H3M
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5G4H
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![BU of 5g4h by Molmil](/molmil-images/mine/5g4h) | 1.50 A resolution catechol (1,2-dihydroxybenzene) inhibited Sporosarcina pasteurii urease | Descriptor: | 1,2-ETHANEDIOL, CATECHOL, HYDROXIDE ION, ... | Authors: | Mazzei, L, Cianci, M, Musiani, F, Ciurli, S. | Deposit date: | 2016-05-13 | Release date: | 2016-12-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Inactivation of Urease by Catechol: Kinetics and Structure. J.Inorg.Biochem., 166, 2016
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3L8Y
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![BU of 3l8y by Molmil](/molmil-images/mine/3l8y) | Complex of Ras with cyclen | Descriptor: | 1,4,7,10-tetraazacyclododecane, CALCIUM ION, GTPase HRas, ... | Authors: | Rosnizeck, I.C, Graf, T, Spoerner, M, Traenkle, J, Filchtinski, D, Herrmann, C, Gremer, L, Vetter, I.R, Wittinghofer, A, Koenig, B, Kalbitzer, H.R. | Deposit date: | 2010-01-04 | Release date: | 2011-01-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Stabilizing a weak binding state for effectors in the human ras protein by cyclen complexes Angew.Chem.Int.Ed.Engl., 49, 2010
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5G5E
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![BU of 5g5e by Molmil](/molmil-images/mine/5g5e) | Crystallographic structure of the Tau class glutathione S-transferase MiGSTU from mango Mangifera indica L. | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, TAU CLASS GLUTATHIONE S-TRANSFERASE | Authors: | Valenzuela-Chavira, I, Serrano-Posada, H, Lopez-Zavala, A, Hernandez-Paredes, J, Sotelo-Mundo, R. | Deposit date: | 2016-05-24 | Release date: | 2017-02-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Insights Into Ligand Binding to a Glutathione S-Transferase from Mango: Structure, Thermodynamics and Kinetics Biochimie, 135, 2017
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5G5T
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![BU of 5g5t by Molmil](/molmil-images/mine/5g5t) | Structure of the Argonaute protein from Methanocaldcoccus janaschii in complex with guide DNA | Descriptor: | ARGONAUTE, GUIDE DNA, MAGNESIUM ION, ... | Authors: | Schneider, S, Oellig, C.A, Keegan, R, Grohmann, D, Zander, A, Willkomm, S. | Deposit date: | 2016-06-03 | Release date: | 2017-02-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structural and mechanistic insights into an archaeal DNA-guided Argonaute protein. Nat Microbiol, 2, 2017
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3LAY
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![BU of 3lay by Molmil](/molmil-images/mine/3lay) | Alpha-Helical barrel formed by the decamer of the zinc resistance-associated protein (STM4172) from Salmonella enterica subsp. enterica serovar Typhimurium str. LT2 | Descriptor: | Zinc resistance-associated protein | Authors: | Filippova, E.V, Minasov, G, Shuvalova, L, Winsor, J, Dubrovska, I, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2010-01-07 | Release date: | 2010-01-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Alpha-Helical barrel formed by the decamer of the zinc resistance-associated protein (STM4172) from Salmonella enterica subsp. enterica serovar Typhimurium str. LT2 To be Published
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5G4W
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![BU of 5g4w by Molmil](/molmil-images/mine/5g4w) | S. enterica HisA mutant D7N, D10G, Dup13-15 (VVR) with substrate ProFAR | Descriptor: | GLYCEROL, HISA, [(2R,3S,4R,5R)-5-[4-aminocarbonyl-5-[(E)-[[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]amino]methylideneamino]imidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate | Authors: | Guo, X, Soderholm, A, Newton, M, Nasvall, J, Duarte, F, Andersson, D, Patrick, W, Selmer, M. | Deposit date: | 2016-05-17 | Release date: | 2017-04-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and functional innovations in the real-time evolution of new ( beta alpha )8 barrel enzymes. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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3L94
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![BU of 3l94 by Molmil](/molmil-images/mine/3l94) | Structure of PvdQ covalently acylated with myristate | Descriptor: | 1,2-ETHANEDIOL, Acyl-homoserine lactone acylase pvdQ subunit alpha, Acyl-homoserine lactone acylase pvdQ subunit beta, ... | Authors: | Drake, E.J, Gulick, A.M. | Deposit date: | 2010-01-04 | Release date: | 2011-01-26 | Last modified: | 2013-04-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural characterization and high-throughput screening of inhibitors of PvdQ, an NTN hydrolase involved in pyoverdine synthesis. Acs Chem.Biol., 6, 2011
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5G69
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![BU of 5g69 by Molmil](/molmil-images/mine/5g69) | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 7-(2-(3-Fluorobenzylamino)ethyl)quinolin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-{2-[(3-fluorobenzyl)amino]ethyl}quinolin-2-amine, CHLORIDE ION, ... | Authors: | Holden, J.K, Poulos, T.L. | Deposit date: | 2016-06-18 | Release date: | 2016-09-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.016 Å) | Cite: | Targeting Bacterial Nitric Oxide Synthase with Aminoquinoline-Based Inhibitors. Biochemistry, 55, 2016
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5G5I
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![BU of 5g5i by Molmil](/molmil-images/mine/5g5i) | S. enterica HisA mutant D10G | Descriptor: | 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, PHOSPHATE ION | Authors: | Guo, X, Soderholm, A, Newton, M, Nasvall, J, Andersson, D, Patrick, W, Selmer, M. | Deposit date: | 2016-05-25 | Release date: | 2017-04-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Structural and functional innovations in the real-time evolution of new ( beta alpha )8 barrel enzymes. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5G6B
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5G3W
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![BU of 5g3w by Molmil](/molmil-images/mine/5g3w) | Structure of HDAC like protein from Bordetella Alcaligenes in complex with the photoswitchable inhibitor CEW65 | Descriptor: | (2E)-N-hydroxy-3-{4-[(E)-phenyldiazenyl]phenyl}prop-2-enamide, DI(HYDROXYETHYL)ETHER, HISTONE DEACETYLASE-LIKE AMIDOHYDROLASE, ... | Authors: | Kraemer, A, Meyer-Almes, F.J, Yildiz, O. | Deposit date: | 2016-05-02 | Release date: | 2016-11-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Toward Photopharmacological Antimicrobial Chemotherapy Using Photoswitchable Amidohydrolase Inhibitors. ACS Infect Dis, 3, 2017
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3LA7
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![BU of 3la7 by Molmil](/molmil-images/mine/3la7) | Crystal structure of NtcA in apo-form | Descriptor: | Global nitrogen regulator, octyl beta-D-glucopyranoside | Authors: | Zhao, M.X, Jiang, Y.L, He, Y.X, Chen, Y.F, Teng, Y.B, Zhang, C.C, Chen, Y.X, Zhou, C.Z. | Deposit date: | 2010-01-06 | Release date: | 2010-09-01 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for the allosteric control of the global transcription factor NtcA by the nitrogen starvation signal 2-oxoglutarate. Proc.Natl.Acad.Sci.USA, 107, 2010
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5G4O
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![BU of 5g4o by Molmil](/molmil-images/mine/5g4o) | Crystal structure of the p53 cancer mutant Y220C in complex with a trifluorinated derivative of the small molecule stabilizer Phikan083 | Descriptor: | CELLULAR TUMOR ANTIGEN P53, N,N-dimethyl-1-[9-(2,2,2-trifluoroethyl)-9H-carbazol-3-yl]methanamine, ZINC ION | Authors: | Joerger, A.C, Bauer, M, Baud, M.G.J, Spencer, J. | Deposit date: | 2016-05-13 | Release date: | 2016-06-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Harnessing Fluorine-Sulfur Contacts and Multipolar Interactions for the Design of P53 Mutant Y220C Rescue Drugs. Acs Chem.Biol., 11, 2016
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3LAK
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![BU of 3lak by Molmil](/molmil-images/mine/3lak) | Crystal structure of HIV-1 reverse transcriptase in complex with N1-heterocycle pyrimidinedione non-nucleoside inhibitor | Descriptor: | 3-({3-[(2-amino-6-fluoropyridin-4-yl)methyl]-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl}carbonyl)-5-methylbenzonitrile, CHLORIDE ION, HIV Reverse transcriptase, ... | Authors: | Lansdon, E.B, Mitchell, M.L. | Deposit date: | 2010-01-06 | Release date: | 2010-02-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | N1-Heterocyclic pyrimidinediones as non-nucleoside inhibitors of HIV-1 reverse transcriptase. Bioorg.Med.Chem.Lett., 20, 2010
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5G6D
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![BU of 5g6d by Molmil](/molmil-images/mine/5g6d) | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 7-(((3-(Dimethylamino)benzyl)amino)methyl)quinolin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[[3-(dimethylamino)phenyl]methylamino]methyl]quinolin-2-amine, CHLORIDE ION, ... | Authors: | Holden, J.K, Poulos, T.L. | Deposit date: | 2016-06-18 | Release date: | 2016-09-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.821 Å) | Cite: | Targeting Bacterial Nitric Oxide Synthase with Aminoquinoline-Based Inhibitors. Biochemistry, 55, 2016
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5G4X
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![BU of 5g4x by Molmil](/molmil-images/mine/5g4x) | The crystal structure of the SHANK3 N-terminus | Descriptor: | 1,2-ETHANEDIOL, SH3 AND MULTIPLE ANKYRIN REPEAT DOMAINS PROTEIN 3 | Authors: | Zacharchenko, T, Barsukov, I. | Deposit date: | 2016-05-17 | Release date: | 2017-01-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.166 Å) | Cite: | SHANK proteins limit integrin activation by directly interacting with Rap1 and R-Ras. Nat. Cell Biol., 19, 2017
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3LB1
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![BU of 3lb1 by Molmil](/molmil-images/mine/3lb1) | Two-site competitive inhibition in dehaloperoxidase-hemoglobin | Descriptor: | 4-IODOPHENOL, Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | de Serrano, V.S, Franzen, S, Thompson, M.K, Davis, M.F, Niccoletti, F.P, Howes, B.D, Smulevich, G. | Deposit date: | 2010-01-07 | Release date: | 2010-11-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Internal binding of halogenated phenols in dehaloperoxidase-hemoglobin inhibits peroxidase function. Biophys.J., 99, 2010
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5G5F
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![BU of 5g5f by Molmil](/molmil-images/mine/5g5f) | Crystallographic structure of the Tau class glutathione S-transferase MiGSTU in complex with reduced glutathione. | Descriptor: | DI(HYDROXYETHYL)ETHER, GLUTATHIONE, TAU CLASS GLUTATHIONE S-TRANSFERASE | Authors: | Valenzuela-Chavira, I, Serrano-Posada, H, Lopez-Zavala, A, Hernandez-Paredes, J, Sotelo-Mundo, R. | Deposit date: | 2016-05-24 | Release date: | 2017-02-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Insights Into Ligand Binding to a Glutathione S-Transferase from Mango: Structure, Thermodynamics and Kinetics Biochimie, 135, 2017
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5G5D
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![BU of 5g5d by Molmil](/molmil-images/mine/5g5d) | Crystal Structure of the CohScaC2-XDocCipA type II complex from Clostridium thermocellum | Descriptor: | CALCIUM ION, CELLULOSOMAL-SCAFFOLDING PROTEIN A, CELLULOSOME ANCHORING PROTEIN COHESIN REGION | Authors: | Carvalho, A.L, A Bras, J.L, Najmudin, S.H, Pinheiro, B.A, Fontes, C.M.G.A. | Deposit date: | 2016-05-23 | Release date: | 2017-04-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Diverse specificity of cellulosome attachment to the bacterial cell surface. Sci Rep, 6, 2016
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5G37
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![BU of 5g37 by Molmil](/molmil-images/mine/5g37) | MR structure of the binary mosquito larvicide BinAB at pH 5 | Descriptor: | 41.9 KDA INSECTICIDAL TOXIN, LARVICIDAL TOXIN 51 KDA PROTEIN | Authors: | Colletier, J.P, Sawaya, M.R, Gingery, M, Rodriguez, J.A, Cascio, D, Brewster, A.S, Michels-Clark, T, Boutet, S, Williams, G.J, Messerschmidt, M, DePonte, D.P, Sierra, R.G, Laksmono, H, Koglin, J.E, Hunter, M.S, W Park, H, Uervirojnangkoorn, M, Bideshi, D.L, Brunger, A.T, Federici, B.A, Sauter, N.K, Eisenberg, D.S. | Deposit date: | 2016-04-24 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | De Novo Phasing with X-Ray Laser Reveals Mosquito Larvicide Binab Structure. Nature, 539, 2016
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3LFK
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![BU of 3lfk by Molmil](/molmil-images/mine/3lfk) | A reported archaeal mechanosensitive channel is a structural homolog of MarR-like transcriptional regulators | Descriptor: | CITRIC ACID, MarR Like Protein, TVG0766549, ... | Authors: | Liu, Z, Walton, T.A, Rees, D.C. | Deposit date: | 2010-01-17 | Release date: | 2010-04-14 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A reported archaeal mechanosensitive channel is a structural homolog of MarR-like transcriptional regulators. Protein Sci., 19, 2010
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