7E5Q
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![BU of 7e5q by Molmil](/molmil-images/mine/7e5q) | Crystal Structure of Dye Decolorizing peroxidase from Bacillus subtilis at acidic pH | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, CITRIC ACID, ... | Authors: | Dhankhar, P, Dalal, V, Kumar, P. | Deposit date: | 2021-02-19 | Release date: | 2022-08-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural insights at acidic pH of dye-decolorizing peroxidase from Bacillus subtilis. Proteins, 2022
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2Q16
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![BU of 2q16 by Molmil](/molmil-images/mine/2q16) | Structure of the E. coli inosine triphosphate pyrophosphatase RgdB in complex with ITP | Descriptor: | CALCIUM ION, HAM1 protein homolog, INOSINE 5'-TRIPHOSPHATE, ... | Authors: | Singer, A.U, Lam, R, Proudfoot, M, Skarina, T, Savchenko, A, Yakunin, A.F. | Deposit date: | 2007-05-23 | Release date: | 2008-02-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Molecular basis of the antimutagenic activity of the house-cleaning inosine triphosphate pyrophosphatase RdgB from Escherichia coli. J.Mol.Biol., 374, 2007
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4QH5
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![BU of 4qh5 by Molmil](/molmil-images/mine/4qh5) | The GLIC pentameric Ligand-Gated Ion Channel (wild-type) crystallized in phosphate buffer | Descriptor: | CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Fourati, Z, Delarue, M, Sauguet, L. | Deposit date: | 2014-05-26 | Release date: | 2015-03-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural characterization of potential modulation sites in the extracellular domain of the prokaryotic pentameric proton-gated ion channel GLIC Acta Crystallogr.,Sect.D, 2015
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1P0Z
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![BU of 1p0z by Molmil](/molmil-images/mine/1p0z) | Sensor Kinase CitA binding domain | Descriptor: | CITRATE ANION, MO(VI)(=O)(OH)2 CLUSTER, SODIUM ION, ... | Authors: | Reinelt, S, Hofmann, E, Gerharz, T, Bott, M, Madden, D.R. | Deposit date: | 2003-04-11 | Release date: | 2003-08-19 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The structure of the periplasmic ligand-binding domain of the sensor kinase CitA reveals the first extracellular PAS domain. J.Biol.Chem., 278, 2003
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2WU5
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![BU of 2wu5 by Molmil](/molmil-images/mine/2wu5) | Crystal structure of the E. coli succinate:quinone oxidoreductase (SQR) SdhD His71Met mutant | Descriptor: | 2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-OXATHIINE-3-CARBOXAMIDE, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ... | Authors: | Ruprecht, J, Yankovskaya, V, Maklashina, E, Iwata, S, Cecchini, G. | Deposit date: | 2009-09-29 | Release date: | 2010-08-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.803 Å) | Cite: | Crystal Structure of the E. Coli Succinate:Quinone Oxidoreductase (Sqr) Sdhd His71met Mutant To be Published
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2WL4
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![BU of 2wl4 by Molmil](/molmil-images/mine/2wl4) | BIOSYNTHETIC THIOLASE FROM Z. RAMIGERA. COMPLEX OF THE H348A MUTANT WITH COENZYME A. | Descriptor: | ACETYL-COA ACETYLTRANSFERASE, CHLORIDE ION, COENZYME A, ... | Authors: | Merilainen, G, Poikela, V, Kursula, P, Wierenga, R.K. | Deposit date: | 2009-06-22 | Release date: | 2009-11-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Thiolase Reaction Mechanism: The Importance of Asn316 and His348 for Stabilizing the Enolate Intermediate of the Claisen Condensation. Biochemistry, 48, 2009
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4R4J
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![BU of 4r4j by Molmil](/molmil-images/mine/4r4j) | Crystal structure of complex sp_ASADH with 3-carboxypropyl-phthalic acid and Nicotinamide Adenine dinucleotide phosphate | Descriptor: | 1,2-ETHANEDIOL, 3-(3-carboxypropyl)benzene-1,2-dicarboxylic acid, Aspartate-semialdehyde dehydrogenase, ... | Authors: | Pavlovsky, A.G, Thangavelu, B, Bhansali, P, Viola, R.E. | Deposit date: | 2014-08-19 | Release date: | 2014-12-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | A cautionary tale of structure-guided inhibitor development against an essential enzyme in the aspartate-biosynthetic pathway. Acta Crystallogr.,Sect.D, 70, 2014
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3BGA
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![BU of 3bga by Molmil](/molmil-images/mine/3bga) | |
3FC3
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![BU of 3fc3 by Molmil](/molmil-images/mine/3fc3) | Crystal structure of the beta-beta-alpha-Me type II restriction endonuclease Hpy99I | Descriptor: | 5'-(*DCP*DTP*DCP*DGP*DAP*DCP*DGP*DTP*DAP*DGP*DA)-3', 5'-(*DTP*DAP*DCP*DGP*DTP*DCP*DGP*DAP*DGP*DTP*DC)-3', Restriction endonuclease Hpy99I, ... | Authors: | Sokolowska, M, Czapinska, H, Bochtler, M. | Deposit date: | 2008-11-21 | Release date: | 2009-03-31 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structure of the beta beta alpha-Me type II restriction endonuclease Hpy99I with target DNA. Nucleic Acids Res., 37, 2009
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5FQ9
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![BU of 5fq9 by Molmil](/molmil-images/mine/5fq9) | Crystal structure of the OXA10 with 1C | Descriptor: | (3R)-3-(cyclohexylcarbonylamino)-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, ACETATE ION, BETA-LACTAMASE OXA-10, ... | Authors: | Brem, J, McDonough, M.A, Cain, R, Clifton, I, Fishwick, C.W.G, Schofield, C.J. | Deposit date: | 2015-12-08 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural basis of metallo-beta-lactamase, serine-beta-lactamase and penicillin-binding protein inhibition by cyclic boronates. Nat Commun, 7, 2016
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3C2L
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![BU of 3c2l by Molmil](/molmil-images/mine/3c2l) | Ternary complex of DNA POLYMERASE BETA with a C:DAPCPP mismatch in the active site | Descriptor: | 2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]adenosine, DNA (5'-D(*DCP*DCP*DGP*DAP*DCP*DCP*DGP*DCP*DGP*DCP*DAP*DTP*DCP*DAP*DGP*DC)-3'), DNA (5'-D(*DGP*DCP*DTP*DGP*DAP*DTP*DGP*DCP*DGP*DC)-3'), ... | Authors: | Batra, V.K, Beard, W.A, Shock, D.D, Pedersen, L.C, Wilson, S.H. | Deposit date: | 2008-01-25 | Release date: | 2008-05-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structures of DNA polymerase beta with active-site mismatches suggest a transient abasic site intermediate during misincorporation. Mol.Cell, 30, 2008
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3U27
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![BU of 3u27 by Molmil](/molmil-images/mine/3u27) | Crystal structure of ethanolamine utilization protein EutL from Leptotrichia buccalis C-1013-b | Descriptor: | CALCIUM ION, GLYCEROL, Microcompartments protein, ... | Authors: | Wu, R, Gu, M, Kerfeld, C.A, Salmeen, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2011-10-01 | Release date: | 2012-02-08 | Last modified: | 2020-01-29 | Method: | X-RAY DIFFRACTION (1.852 Å) | Cite: | Crystal structure of ethanolamine utilization protein EutL from Leptotrichia buccalis C-1013-b To be Published
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5FNK
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![BU of 5fnk by Molmil](/molmil-images/mine/5fnk) | Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination | Descriptor: | (~{E})-3-(2,4-dichlorophenyl)prop-2-enoic acid, ACETIC ACID, CARBONIC ANHYDRASE 2, ... | Authors: | Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A. | Deposit date: | 2015-11-15 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination. J.Med.Chem., 59, 2016
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3C0V
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![BU of 3c0v by Molmil](/molmil-images/mine/3c0v) | Crystal structure of cytokinin-specific binding protein in complex with cytokinin and Ta6Br12 | Descriptor: | (2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Cytokinin-specific binding protein, ... | Authors: | Pasternak, O, Bujacz, A, Biesiadka, J, Bujacz, G, Sikorski, M, Jaskolski, M. | Deposit date: | 2008-01-21 | Release date: | 2008-05-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | MAD phasing using the (Ta(6)Br(12))(2+) cluster: a retrospective study Acta Crystallogr.,Sect.D, 64, 2008
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8TS5
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![BU of 8ts5 by Molmil](/molmil-images/mine/8ts5) | Structure of the apo FabS1C_C1 | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | Authors: | Singer, A.U, Bruce, H.A, Blazer, L.L, Adams, J.J, Sicheri, F, Sidhu, S.S. | Deposit date: | 2023-08-10 | Release date: | 2023-11-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Engineered antigen-binding fragments for enhanced crystallization of antibody:antigen complexes. Protein Sci., 33, 2024
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8TRS
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![BU of 8trs by Molmil](/molmil-images/mine/8trs) | Structure of the EphA2 CRD bound to FabS1CE_C1, trigonal form | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Singer, A.U, Bruce, H.A, Blazer, L, Adams, J.J, Sicheri, F, Sidhu, S.S. | Deposit date: | 2023-08-10 | Release date: | 2023-11-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Engineered antigen-binding fragments for enhanced crystallization of antibody:antigen complexes. Protein Sci., 33, 2024
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3U1O
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![BU of 3u1o by Molmil](/molmil-images/mine/3u1o) | THREE DIMENSIONAL STRUCTURE OF DE NOVO DESIGNED CYSTEINE ESTERASE ECH19, Northeast Structural Genomics Consortium Target OR49 | Descriptor: | De Novo design cysteine esterase ECH19, SODIUM ION, SULFATE ION | Authors: | Kuzin, A, Su, M, Lew, S, Forouhar, F, Seetharaman, J, Daya, P, Xiao, R, Ciccosanti, C, Richter, F, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2011-09-30 | Release date: | 2011-10-26 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.494 Å) | Cite: | Computational design of catalytic dyads and oxyanion holes for ester hydrolysis. J.Am.Chem.Soc., 134, 2012
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7OFZ
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![BU of 7ofz by Molmil](/molmil-images/mine/7ofz) | Nontypeable Haemophillus influenzae SapA in complex with double stranded RNA | Descriptor: | ABC-type transport system, periplasmic component, involved in antimicrobial peptide resistance, ... | Authors: | Lukacik, P, Owen, C.D, Nettleship, J.E, Bird, L.E, Owens, R.J, Walsh, M.A. | Deposit date: | 2021-05-05 | Release date: | 2021-10-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | The structure of nontypeable Haemophilus influenzae SapA in a closed conformation reveals a constricted ligand-binding cavity and a novel RNA binding motif. Plos One, 16, 2021
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5GZT
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![BU of 5gzt by Molmil](/molmil-images/mine/5gzt) | Crystal Structure of Chitinase ChiW from Paenibacillus sp. str. FPU-7 Reveals a Novel Type of Bacterial Cell-Surface-Expressed Multi-Modular Enzyme Machinery | Descriptor: | Chitinase, FORMIC ACID, PHOSPHATE ION, ... | Authors: | Itoh, T, Hibi, T, Suzuki, F, Sugimoto, I, Fujiwara, A, Inaka, K, Tanaka, H, Ohta, K, Fujii, Y, Taketo, A, Kimoto, H. | Deposit date: | 2016-10-01 | Release date: | 2016-12-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of Chitinase ChiW from Paenibacillus sp. str. FPU-7 Reveals a Novel Type of Bacterial Cell-Surface-Expressed Multi-Modular Enzyme Machinery PLoS ONE, 11, 2016
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7NTN
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![BU of 7ntn by Molmil](/molmil-images/mine/7ntn) | The structure of RRM domain of human TRMT2A at 2 A resolution | Descriptor: | CHLORIDE ION, SODIUM ION, SULFATE ION, ... | Authors: | Davydova, E, Janowski, R, Witzenberger, M, Niessing, D. | Deposit date: | 2021-03-10 | Release date: | 2022-01-19 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.016 Å) | Cite: | Small-molecule modulators of TRMT2A decrease PolyQ aggregation and PolyQ-induced cell death. Comput Struct Biotechnol J, 20, 2022
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5GVJ
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![BU of 5gvj by Molmil](/molmil-images/mine/5gvj) | Structure of FabK (M276A) mutant from Thermotoga maritima | Descriptor: | Enoyl-[acyl-carrier-protein] reductase [FMN], SODIUM ION | Authors: | Kim, E.E, Shin, S.C, Ha, B.H, Moon, J.H. | Deposit date: | 2016-09-06 | Release date: | 2017-04-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and biochemical characterization of FabK from Thermotoga maritima. Biochem. Biophys. Res. Commun., 482, 2017
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7ZZP
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![BU of 7zzp by Molmil](/molmil-images/mine/7zzp) | Structure of HDAC2 complexed with an inhibitory ligand | Descriptor: | (2S)-2-HYDROXYPROPANOIC ACID, 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ... | Authors: | Cleasby, A, Tisi, D. | Deposit date: | 2022-05-25 | Release date: | 2022-09-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor. Acs Med.Chem.Lett., 13, 2022
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7NUZ
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![BU of 7nuz by Molmil](/molmil-images/mine/7nuz) | Proteinase K structure at atomic resolution from crystals grown in agarose gel | Descriptor: | GLYCEROL, MAGNESIUM ION, NITRATE ION, ... | Authors: | Gavira, J.A, Artusio, F, Castellvi, A, Pisano, R. | Deposit date: | 2021-03-15 | Release date: | 2022-01-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | Tuning Transport Phenomena in Agarose Gels for the Control of Protein Nucleation Density and Crystal Form Crystals, 2021
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7ZYI
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![BU of 7zyi by Molmil](/molmil-images/mine/7zyi) | Structure of the human sodium/bile acid cotransporter (NTCP) in complex with Fab and nanobody | Descriptor: | CHOLESTEROL, GLYCOCHENODEOXYCHOLIC ACID, Nanobody, ... | Authors: | Liu, H, Irobalieva, R.N, Bang-Sorensen, R, Nosol, K, Mukherjee, S, Agrawal, P, Stieger, B, Kossiakoff, A.A, Locher, K.P. | Deposit date: | 2022-05-24 | Release date: | 2022-07-13 | Last modified: | 2022-08-10 | Method: | ELECTRON MICROSCOPY (2.88 Å) | Cite: | Structure of human NTCP reveals the basis of recognition and sodium-driven transport of bile salts into the liver. Cell Res., 32, 2022
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5GHP
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![BU of 5ghp by Molmil](/molmil-images/mine/5ghp) | Crystal structure of human MTH1(G2K/D120A mutant) in complex with 2-oxo-dATP | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, SODIUM ION | Authors: | Nakamura, T, Waz, S, Hirata, K, Nakabeppu, Y, Yamagata, Y. | Deposit date: | 2016-06-20 | Release date: | 2017-01-04 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.192 Å) | Cite: | Structural and Kinetic Studies of the Human Nudix Hydrolase MTH1 Reveal the Mechanism for Its Broad Substrate Specificity J. Biol. Chem., 292, 2017
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