7OE4
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![BU of 7oe4 by Molmil](/molmil-images/mine/7oe4) | C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH N-methyl-4-propionyl-1H-pyrrole-2-carboxamide | Descriptor: | 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Bromodomain-containing protein 2, ... | Authors: | Chung, C. | Deposit date: | 2021-05-01 | Release date: | 2021-07-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.653 Å) | Cite: | Fragment-based Scaffold Hopping: Identification of Potent, Selective, and Highly Soluble Bromo and Extra Terminal Domain (BET) Second Bromodomain (BD2) Inhibitors. J.Med.Chem., 64, 2021
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1N7B
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![BU of 1n7b by Molmil](/molmil-images/mine/1n7b) | RIP-Radiation-damage Induced Phasing | Descriptor: | POTASSIUM ION, RNA/DNA (5'-R(*U)-D(P*(BGM))-R(P*AP*GP*GP*U)-3'), SPERMINE | Authors: | Ravelli, R.B.G, Leiros, H.-K.S, Pan, B, Caffrey, M, McSweeney, S. | Deposit date: | 2002-11-13 | Release date: | 2003-03-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Specific Radiation-Damage Can Be Used To Solve Macromolecular Crystal Structures Structure, 11, 2003
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4LU3
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![BU of 4lu3 by Molmil](/molmil-images/mine/4lu3) | The crystal structure of the human carbonic anhydrase XIV | Descriptor: | 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 14, GLYCEROL, ... | Authors: | Alterio, V, De Simone, G, Monti, S.M. | Deposit date: | 2013-07-24 | Release date: | 2014-01-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The structural comparison between membrane-associated human carbonic anhydrases provides insights into drug design of selective inhibitors. Biopolymers, 101, 2014
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1ONJ
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![BU of 1onj by Molmil](/molmil-images/mine/1onj) | Crystal structure of Atratoxin-b from Chinese cobra venom of Naja atra | Descriptor: | Cobrotoxin b, SULFATE ION | Authors: | Lou, X, Tu, X, Pan, G, Xu, C, Fan, R, Lu, W, Deng, W, Rao, P, Teng, M, Niu, L. | Deposit date: | 2003-02-28 | Release date: | 2004-02-28 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.555 Å) | Cite: | Purification, N-terminal sequencing, crystallization and preliminary structural determination of atratoxin-b, a short-chain alpha-neurotoxin from Naja atra venom. Acta Crystallogr.,Sect.D, 59, 2003
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5XFC
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![BU of 5xfc by Molmil](/molmil-images/mine/5xfc) | Serial femtosecond X-ray structure of a stem domain of human O-mannose beta-1,2-N-acetylglucosaminyltransferase solved by Se-SAD using XFEL (refined against 13,000 patterns) | Descriptor: | 4-nitrophenyl beta-D-mannopyranoside, Protein O-linked-mannose beta-1,2-N-acetylglucosaminyltransferase 1 | Authors: | Kuwabara, N, Fumiaki, Y, Kato, R, Manya, H. | Deposit date: | 2017-04-10 | Release date: | 2017-08-30 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Experimental phase determination with selenomethionine or mercury-derivatization in serial femtosecond crystallography IUCrJ, 4, 2017
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5XFD
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![BU of 5xfd by Molmil](/molmil-images/mine/5xfd) | |
8SIJ
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![BU of 8sij by Molmil](/molmil-images/mine/8sij) | Crystal structure of F. varium tryptophanase | Descriptor: | CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE, Tryptophanase 1, ... | Authors: | Graboski, A.L, Redinbo, M.R. | Deposit date: | 2023-04-16 | Release date: | 2023-08-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Mechanism-based inhibition of gut microbial tryptophanases reduces serum indoxyl sulfate. Cell Chem Biol, 30, 2023
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8T0T
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![BU of 8t0t by Molmil](/molmil-images/mine/8t0t) | Structure of Compound 4 bound to human ALDH1A1 | Descriptor: | 1-(4-{6-fluoro-3-[4-(methanesulfonyl)piperazine-1-carbonyl]quinolin-4-yl}phenyl)cyclopropane-1-carbonitrile, Aldehyde dehydrogenase 1A1, CHLORIDE ION, ... | Authors: | Hurley, T.D. | Deposit date: | 2023-06-01 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Development of substituted benzimidazoles as inhibitors of human aldehyde dehydrogenase 1A isoenzymes. Chem.Biol.Interact., 391, 2024
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3MQ0
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![BU of 3mq0 by Molmil](/molmil-images/mine/3mq0) | Crystal Structure of Agobacterium tumefaciens repressor BlcR | Descriptor: | Transcriptional repressor of the blcABC operon | Authors: | Chen, L. | Deposit date: | 2010-04-27 | Release date: | 2011-03-30 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.793 Å) | Cite: | The Agrobacterium tumefaciens Transcription Factor BlcR Is Regulated via Oligomerization. J.Biol.Chem., 286, 2011
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7CC3
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![BU of 7cc3 by Molmil](/molmil-images/mine/7cc3) | Versatile cis-prenyltransferase MM_0014 from Methanosarcina mazei (crystal type: co-FG) | Descriptor: | (2R)-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,2-diol, (2S)-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,2-diol, 2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,3-diol, ... | Authors: | Unno, H, Hemmi, H. | Deposit date: | 2020-06-16 | Release date: | 2021-04-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | A versatile cis-prenyltransferase from Methanosarcina mazei catalyzes both C- and O-prenylations. J.Biol.Chem., 296, 2021
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3E3U
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![BU of 3e3u by Molmil](/molmil-images/mine/3e3u) | Crystal structure of Mycobacterium tuberculosis peptide deformylase in complex with inhibitor | Descriptor: | N-[(2R)-2-{[(2S)-2-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]carbonyl}hexyl]-N-hydroxyformamide, NICKEL (II) ION, Peptide deformylase | Authors: | Meng, W, Xu, M, Pan, S, Koehn, J. | Deposit date: | 2008-08-08 | Release date: | 2009-01-20 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Peptide deformylase inhibitors of Mycobacterium tuberculosis: synthesis, structural investigations, and biological results. Bioorg.Med.Chem.Lett., 18, 2008
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1KU0
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![BU of 1ku0 by Molmil](/molmil-images/mine/1ku0) | Structure of the Bacillus stearothermophilus L1 lipase | Descriptor: | CALCIUM ION, L1 lipase, ZINC ION | Authors: | Jeong, S.-T, Kim, H.-K, Kim, S.-J, Chi, S.-W, Pan, J.-G, Oh, T.-K, Ryu, S.-E. | Deposit date: | 2002-01-18 | Release date: | 2002-08-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Novel zinc-binding center and a temperature switch in the Bacillus stearothermophilus L1 lipase. J.Biol.Chem., 277, 2002
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1JZV
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![BU of 1jzv by Molmil](/molmil-images/mine/1jzv) | Crystal structure of a bulged RNA from the SL2 stem-loop of the HIV-1 psi-RNA | Descriptor: | 5'-R(*CP*AP*GP*UP*AP*CP*GP*(5IC)P*C)-3', 5'-R(*GP*GP*CP*GP*AP*CP*(5BU)P*G)-3', MAGNESIUM ION | Authors: | Xiong, Y, Sudarsanakumar, C, Deng, J, Pan, B, Sundaralingam, M. | Deposit date: | 2001-09-17 | Release date: | 2003-11-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure of a Bulged RNA from the SL2 Stem-loop of the HIV-1 psi-RNA To be Published
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5CH7
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![BU of 5ch7 by Molmil](/molmil-images/mine/5ch7) | Crystal structure of the perchlorate reductase PcrAB - Phe164 gate switch intermediate - from Azospira suillum PS | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, ACETATE ION, ... | Authors: | Tsai, C.-L, Tainer, J.A. | Deposit date: | 2015-07-10 | Release date: | 2016-03-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Perchlorate Reductase Is Distinguished by Active Site Aromatic Gate Residues. J.Biol.Chem., 291, 2016
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5CHC
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![BU of 5chc by Molmil](/molmil-images/mine/5chc) | Crystal structure of the perchlorate reductase PcrAB - substrate analog SeO3 bound - from Azospira suillum PS | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, BISELENITE ION, ... | Authors: | Tsai, C.-L, Tainer, J.A. | Deposit date: | 2015-07-10 | Release date: | 2016-03-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Perchlorate Reductase Is Distinguished by Active Site Aromatic Gate Residues. J.Biol.Chem., 291, 2016
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1JAJ
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![BU of 1jaj by Molmil](/molmil-images/mine/1jaj) | |
5E7O
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![BU of 5e7o by Molmil](/molmil-images/mine/5e7o) | Crystal structure of the perchlorate reductase PcrAB mutant W461E of PcrA from Azospira suillum PS | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, DMSO reductase family type II enzyme, ... | Authors: | Tsai, C.-L, Tainer, J.A. | Deposit date: | 2015-10-12 | Release date: | 2016-03-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Perchlorate Reductase Is Distinguished by Active Site Aromatic Gate Residues. J.Biol.Chem., 291, 2016
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1M77
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![BU of 1m77 by Molmil](/molmil-images/mine/1m77) | Near Atomic Resolution Crystal Structure of an A-DNA Decamer d(CCCGATCGGG): Cobalt Hexammine Interactions with A-DNA | Descriptor: | 5'-D(*CP*CP*CP*GP*AP*TP*CP*GP*GP*G)-3', COBALT HEXAMMINE(III) | Authors: | Ramakrishnan, B, Sekharudu, C, Pan, B.C, Sundaralingam, M. | Deposit date: | 2002-07-18 | Release date: | 2003-01-07 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Near-atomic resolution crystal structure of an A-DNA decamer d(CCCGATCGGG): cobalt hexammine interaction with A-DNA. Acta Crystallogr.,Sect.D, 59, 2003
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3K9F
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![BU of 3k9f by Molmil](/molmil-images/mine/3k9f) | Detailed structural insight into the quinolone-DNA cleavage complex of type IIA topoisomerases | Descriptor: | (3S)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid, DNA (5'-D(*AP*CP*CP*AP*AP*GP*GP*T*CP*AP*TP*GP*AP*AP*T)-3'), DNA (5'-D(*CP*TP*GP*TP*TP*TP*TP*A*CP*GP*TP*GP*CP*AP*T)-3'), ... | Authors: | Laponogov, I, Pan, X.-S, Veselkov, D.A, Fisher, L.M, Sanderson, M.R. | Deposit date: | 2009-10-15 | Release date: | 2009-10-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural Basis of Gate-DNA Breakage and Resealing by Type II Topoisomerases Plos One, 5, 2010
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2EA1
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![BU of 2ea1 by Molmil](/molmil-images/mine/2ea1) | Crystal structure of Ribonuclease I from Escherichia coli COMPLEXED WITH GUANYLYL-2(PRIME),5(PRIME)-GUANOSINE | Descriptor: | GUANYLYL-2',5'-PHOSPHOGUANOSINE, Ribonuclease I | Authors: | Zhou, K, Pan, J, Padmanabhan, S, Lim, R.W, Lim, L.W. | Deposit date: | 2007-01-29 | Release date: | 2008-01-22 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of Ribonuclease I from Escherichia Coli Complexed with Guanylyl-2(Prime),5(Prime)-Guanosine at 1.80 Angstroms Resolution To be Published
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3KSA
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![BU of 3ksa by Molmil](/molmil-images/mine/3ksa) | Detailed structural insight into the DNA cleavage complex of type IIA topoisomerases (cleaved form) | Descriptor: | 5'-D(*AP*CP*CP*AP*AP*GP*GP*T*CP*AP*TP*GP*AP*AP*T)-3', 5'-D(*CP*TP*GP*TP*TP*TP*TP*A*CP*GP*TP*GP*CP*AP*T)-3', 5'-D(P*AP*GP*TP*CP*AP*TP*TP*CP*AP*TP*GP*AP*CP*CP*TP*TP*GP*GP*T)-3', ... | Authors: | Laponogov, I, Pan, X.-S, Veselkov, D.A, McAuley, K.E, Fisher, L.M, Sanderson, M.R. | Deposit date: | 2009-11-21 | Release date: | 2010-05-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural Basis of Gate-DNA Breakage and Resealing by Type II Topoisomerases Plos One, 5, 2010
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3KSB
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![BU of 3ksb by Molmil](/molmil-images/mine/3ksb) | Detailed structural insight into the DNA cleavage complex of type IIA topoisomerases (re-sealed form) | Descriptor: | 5'-D(*AP*CP*CP*AP*AP*GP*GP*T*CP*AP*TP*GP*AP*AP*TP*GP*AP*CP*TP*AP*TP*GP*CP*AP*CP*GP*TP*AP*AP*AP*AP*CP*AP*G)-3', 5'-D(*CP*TP*GP*TP*TP*TP*TP*A*CP*GP*TP*GP*CP*AP*TP*AP*GP*TP*CP*AP*TP*TP*CP*AP*TP*GP*AP*CP*CP*TP*TP*GP*GP*T)-3', DNA topoisomerase 4 subunit A, ... | Authors: | Laponogov, I, Pan, X.-S, Veselkov, D.A, McAuley, K.E, Fisher, L.M, Sanderson, M.R. | Deposit date: | 2009-11-21 | Release date: | 2010-05-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structural Basis of Gate-DNA Breakage and Resealing by Type II Topoisomerases Plos One, 5, 2010
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2FNP
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![BU of 2fnp by Molmil](/molmil-images/mine/2fnp) | Crystal structure of SarA | Descriptor: | Staphylococcal accessory regulator A | Authors: | Liu, Y, Manna, A.C, Pan, C.H, Cheung, A.L, Zhang, G. | Deposit date: | 2006-01-11 | Release date: | 2006-01-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural and function analyses of the global regulatory protein SarA from Staphylococcus aureus. Proc.Natl.Acad.Sci.Usa, 103, 2006
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4UPR
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![BU of 4upr by Molmil](/molmil-images/mine/4upr) | Structure of bovine endothelial nitric oxide synthase heme domain in complex with N,N''-{[(2S)-3-aminopropane-1,2-diyl]bis(oxymethanediylbenzene-3,1-diyl)}dithiophene-2-carboximidamide | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, GLYCEROL, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2014-06-17 | Release date: | 2014-08-20 | Last modified: | 2014-09-24 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Combination of Chiral Linkers with Thiophenecarboximidamide Heads to Improve the Selectivity of Inhibitors of Neuronal Nitric Oxide Synthase. Bioorg.Med.Chem.Lett., 24, 2014
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4UPQ
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![BU of 4upq by Molmil](/molmil-images/mine/4upq) | Structure of bovine endothelial nitric oxide synthase heme domain in complex with N',N'-{[(2R)-3-aminopropane-1,2-diyl]bis(oxymethanediylbenzene-3,1-diyl)}dithiophene-2-carboximidamide | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, GLYCEROL, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2014-06-17 | Release date: | 2014-08-20 | Last modified: | 2014-09-24 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Combination of Chiral Linkers with Thiophenecarboximidamide Heads to Improve the Selectivity of Inhibitors of Neuronal Nitric Oxide Synthase. Bioorg.Med.Chem.Lett., 24, 2014
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