4M7T
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![BU of 4m7t by Molmil](/molmil-images/mine/4m7t) | Crystal structure of BtrN in complex with AdoMet and 2-DOIA | Descriptor: | (1R,2S,3S,4R,5S)-5-aminocyclohexane-1,2,3,4-tetrol, BtrN, GLYCEROL, ... | Authors: | Drennan, C.L, Goldman, P.J. | Deposit date: | 2013-08-12 | Release date: | 2013-10-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | X-ray analysis of butirosin biosynthetic enzyme BtrN redefines structural motifs for AdoMet radical chemistry. Proc.Natl.Acad.Sci.USA, 110, 2013
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4MCI
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![BU of 4mci by Molmil](/molmil-images/mine/4mci) | Crystal structure of uridine phosphorylase from vibrio fischeri es114 complexed with DMSO, NYSGRC Target 029520. | Descriptor: | DIMETHYL SULFOXIDE, SULFATE ION, Uridine phosphorylase | Authors: | Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-08-21 | Release date: | 2013-09-04 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Crystal structure of uridine phosphorylase from vibrio fischeri es114 complexed with DMSO, NYSGRC Target 029520. To be Published
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4M7Z
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![BU of 4m7z by Molmil](/molmil-images/mine/4m7z) | Unliganded 1 crystal structure of S25-26 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Haji-Ghassemi, O, Evans, S.V, Muller-Loennies, S, Saldova, R, Muniyappa, M, Brade, L, Rudd, P.M, Harvey, D.J, Kosma, P, Brade, H. | Deposit date: | 2013-08-12 | Release date: | 2014-04-09 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Groove-type Recognition of Chlamydiaceae-specific Lipopolysaccharide Antigen by a Family of Antibodies Possessing an Unusual Variable Heavy Chain N-Linked Glycan. J.Biol.Chem., 289, 2014
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4MCV
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![BU of 4mcv by Molmil](/molmil-images/mine/4mcv) | Star 12 bound to analog-sensitive Src kinase | Descriptor: | (7S)-12-(4-aminobutyl)-7-(2-methylpropyl)-6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one, Proto-oncogene tyrosine-protein kinase Src | Authors: | Lopez, M.S, Shokat, K.M. | Deposit date: | 2013-08-21 | Release date: | 2013-11-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Staurosporine-derived inhibitors broaden the scope of analog-sensitive kinase technology. J.Am.Chem.Soc., 135, 2013
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4MAQ
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![BU of 4maq by Molmil](/molmil-images/mine/4maq) | |
4MH4
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![BU of 4mh4 by Molmil](/molmil-images/mine/4mh4) | |
4M3B
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![BU of 4m3b by Molmil](/molmil-images/mine/4m3b) | Rapid and efficient design of new inhibitors of Mycobacterium tuberculosis transcriptional repressor EthR using fragment growing, merging and linking approaches | Descriptor: | 4-(2-methyl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzamide, HTH-type transcriptional regulator EthR | Authors: | Villemagne, B, Flipo, M, Blondiaux, N, Crauste, C, Malaquin, S, Leroux, F, Piveteau, C, Villeret, V, Brodin, P, Villoutreix, B, Sperandio, O, Wohlkonig, A, Wintjens, R, Deprez, B, Baulard, A, Willand, N. | Deposit date: | 2013-08-06 | Release date: | 2014-06-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Ligand Efficiency Driven Design of New Inhibitors of Mycobacterium tuberculosis Transcriptional Repressor EthR Using Fragment Growing, Merging, and Linking Approaches. J.Med.Chem., 57, 2014
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4M9C
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![BU of 4m9c by Molmil](/molmil-images/mine/4m9c) | WeeI from Acinetobacter baumannii AYE | Descriptor: | Bacterial transferase hexapeptide (Three repeats) family protein | Authors: | Morrison, M.J, Imperiali, B. | Deposit date: | 2013-08-14 | Release date: | 2013-10-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Biochemical analysis and structure determination of bacterial acetyltransferases responsible for the biosynthesis of UDP-N,N'-diacetylbacillosamine. J.Biol.Chem., 288, 2013
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4MD7
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4MJV
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![BU of 4mjv by Molmil](/molmil-images/mine/4mjv) | Influenza Neuraminidase in complex with a novel antiviral compound | Descriptor: | (2E,5S,9R,10S)-10-(acetylamino)-2-imino-4-oxo-9-(pentan-3-yloxy)-1-thia-3-azaspiro[4.5]dec-6-ene-7-carboxylic acid, CALCIUM ION, Neuraminidase | Authors: | Kerry, P.S. | Deposit date: | 2013-09-04 | Release date: | 2014-01-15 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Serendipitous discovery of a potent influenza virus a neuraminidase inhibitor. Angew.Chem.Int.Ed.Engl., 53, 2014
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4MLK
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![BU of 4mlk by Molmil](/molmil-images/mine/4mlk) | 3.05A resolution structure of CT584 from Chlamydia trachomatis | Descriptor: | CT584 protein | Authors: | Hickey, J, Lovell, S, Kemege, K, Barta, M.L, Battaile, K.P, Hefty, P.S. | Deposit date: | 2013-09-06 | Release date: | 2013-11-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.051 Å) | Cite: | Structure of CT584 from Chlamydia trachomatis refined to 3.05 angstrom resolution. Acta Crystallogr.,Sect.F, 69, 2013
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4MKV
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![BU of 4mkv by Molmil](/molmil-images/mine/4mkv) | Structure of Pisum sativum Rubisco with ABA | Descriptor: | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, PHOSPHATE ION, RIBULOSE-1,5-DIPHOSPHATE, ... | Authors: | Loewen, M.C, Loewen, P.C, Switala, J. | Deposit date: | 2013-09-05 | Release date: | 2013-10-16 | Last modified: | 2019-11-27 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Identification of Interactions between Abscisic Acid and Ribulose-1,5-Bisphosphate Carboxylase/Oxygenase. Plos One, 10, 2015
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4MLO
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![BU of 4mlo by Molmil](/molmil-images/mine/4mlo) | 1.65A resolution structure of ToxT from Vibrio cholerae (P21 Form) | Descriptor: | CHLORIDE ION, PALMITOLEIC ACID, TCP pilus virulence regulatory protein | Authors: | Lovell, S, Wehmeyer, G, Battaile, K.P, Li, J, Egan, S. | Deposit date: | 2013-09-06 | Release date: | 2016-04-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | 1.65 angstrom resolution structure of the AraC-family transcriptional activator ToxT from Vibrio cholerae. Acta Crystallogr F Struct Biol Commun, 72, 2016
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4MIO
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![BU of 4mio by Molmil](/molmil-images/mine/4mio) | Crystal Structure of myo-inositol dehydrogenase from Lactobacillus casei in complex with NAD(H) and myo-inositol | Descriptor: | 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Bertwistle, D, Sanders, D.A.R, Palmer, D.R.J. | Deposit date: | 2013-09-02 | Release date: | 2015-03-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal Structure of myo-inositol dehydrogenase from Lactobacillus casei in complex with NAD(H) and myo-inositol To be Published
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4MO2
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![BU of 4mo2 by Molmil](/molmil-images/mine/4mo2) | Crystal Structure of UDP-N-acetylgalactopyranose mutase from Campylobacter jejuni | Descriptor: | AMMONIUM ION, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Dalrymple, S.A, Protsko, C, Poulin, M.B, Lowary, T.L, Sanders, D.A.R. | Deposit date: | 2013-09-11 | Release date: | 2014-01-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Specificity of a UDP-GalNAc Pyranose-Furanose Mutase: A Potential Therapeutic Target for Campylobacter jejuni Infections. Chembiochem, 15, 2014
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4MRE
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![BU of 4mre by Molmil](/molmil-images/mine/4mre) | |
4MMP
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4MR5
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![BU of 4mr5 by Molmil](/molmil-images/mine/4mr5) | Crystal Structure of the second bromodomain of human BRD2 in complex with a quinazolinone ligand (RVX-OH) | Descriptor: | 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 2, ... | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2013-09-17 | Release date: | 2013-11-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | RVX-208, an inhibitor of BET transcriptional regulators with selectivity for the second bromodomain. Proc.Natl.Acad.Sci.USA, 110, 2013
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4MRD
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![BU of 4mrd by Molmil](/molmil-images/mine/4mrd) | Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule | Descriptor: | CD44 antigen, SULFATE ION, beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Liu, L.K, Finzel, B. | Deposit date: | 2013-09-17 | Release date: | 2014-04-16 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Fragment-Based Identification of an Inducible Binding Site on Cell Surface Receptor CD44 for the Design of Protein-Carbohydrate Interaction Inhibitors. J.Med.Chem., 57, 2014
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4MR3
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![BU of 4mr3 by Molmil](/molmil-images/mine/4mr3) | Crystal Structure of the first bromodomain of human BRD4 in complex with a quinazolinone ligand (RVX-OH) | Descriptor: | 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 4 | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2013-09-17 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | RVX-208, an inhibitor of BET transcriptional regulators with selectivity for the second bromodomain. Proc.Natl.Acad.Sci.USA, 110, 2013
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4MJU
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![BU of 4mju by Molmil](/molmil-images/mine/4mju) | Influenza Neuraminidase in complex with a novel antiviral compound | Descriptor: | (5R,9R,10S)-10-(acetylamino)-2-amino-4-oxo-9-(pentan-3-yloxy)-1-thia-3-azaspiro[4.5]deca-2,6-diene-7-carboxylic acid, CALCIUM ION, Neuraminidase | Authors: | Kerry, P.S. | Deposit date: | 2013-09-04 | Release date: | 2014-01-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Serendipitous discovery of a potent influenza virus a neuraminidase inhibitor. Angew.Chem.Int.Ed.Engl., 53, 2014
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4MW2
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![BU of 4mw2 by Molmil](/molmil-images/mine/4mw2) | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-(3-{[5-chloro-2-hydroxy-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea (Chem 1472) | Descriptor: | 1-(3-{[5-chloro-2-hydroxy-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | Deposit date: | 2013-09-24 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness. Plos Negl Trop Dis, 8, 2014
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4MNQ
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![BU of 4mnq by Molmil](/molmil-images/mine/4mnq) | TCR-peptide specificity overrides affinity enhancing TCR-MHC interactions | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | Authors: | Rizkallah, P.J, Cole, D.K, Sewell, A.K, Jakobsen, B.K. | Deposit date: | 2013-09-11 | Release date: | 2013-11-13 | Last modified: | 2017-08-02 | Method: | X-RAY DIFFRACTION (2.742 Å) | Cite: | T-cell receptor (TCR)-peptide specificity overrides affinity-enhancing TCR-major histocompatibility complex interactions. J.Biol.Chem., 289, 2014
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4MOU
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![BU of 4mou by Molmil](/molmil-images/mine/4mou) | Crystal Structure of an Enoyl-CoA Hydratase/Isomerase Family Member, NYSGRC target 028282 | Descriptor: | CACODYLATE ION, Enoyl-CoA hydratase/isomerase family protein | Authors: | Chapman, H.C, Cooper, D.R, Geffken, K.T, Cymborowski, M.T, Osinski, T, Stead, M, Hillerich, B, Ahmed, M, Bonanno, J.B, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-09-12 | Release date: | 2013-09-25 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal Structure of an Enoyl-CoA Hydratase/Isomerase Family Member, NYSGRC target 028282 To be Published
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4MPQ
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![BU of 4mpq by Molmil](/molmil-images/mine/4mpq) | |