4Z2G
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![BU of 4z2g by Molmil](/molmil-images/mine/4z2g) | Serratia marcescens Chitinase B complexed with macrolide inhibitor 26 | Descriptor: | (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {4-[N'-(methylcarbamoyl)carbamimidamido]butyl}carbamate, Chitinase B | Authors: | Maita, N, Sugawara, A, Sunazuka, T. | Deposit date: | 2015-03-30 | Release date: | 2015-07-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Creation of Customized Bioactivity within a 14-Membered Macrolide Scaffold: Design, Synthesis, and Biological Evaluation Using a Family-18 Chitinase J.Med.Chem., 58, 2015
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4OKX
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![BU of 4okx by Molmil](/molmil-images/mine/4okx) | Crystal structure of W741L-AR-LBD bound with co-regulator peptide | Descriptor: | Androgen receptor, R-BICALUTAMIDE, SULFATE ION, ... | Authors: | Liu, J.S, Hsu, C.L, Wu, W.G. | Deposit date: | 2014-01-23 | Release date: | 2014-08-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis. Mol Oncol, 8, 2014
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4Z2L
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![BU of 4z2l by Molmil](/molmil-images/mine/4z2l) | Serratia marcescens Chitinase B complexed with macrolide inhibitor 33 | Descriptor: | (3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-14-ethyl-7,10,12,13-tetrahydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-6-(prop-2-yn-1-yloxy)oxacyclotetradecan-4-yl {3-[N'-(methylcarbamoyl)carbamimidamido]propyl}carbamate, CHLORIDE ION, Chitinase B, ... | Authors: | Maita, N, Sugawara, A, Sunazuka, T. | Deposit date: | 2015-03-30 | Release date: | 2015-07-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Creation of Customized Bioactivity within a 14-Membered Macrolide Scaffold: Design, Synthesis, and Biological Evaluation Using a Family-18 Chitinase J.Med.Chem., 58, 2015
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4OUB
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![BU of 4oub by Molmil](/molmil-images/mine/4oub) | A 2.20 angstroms X-ray crystal structure of E268A 2-aminomucaonate 6-semialdehyde dehydrogenase catalytic intermediate from Pseudomonas fluorescens | Descriptor: | (2Z,4E)-2-hydroxy-6-oxohexa-2,4-dienoic acid, 2-aminomuconate 6-semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Huo, L, Liu, A. | Deposit date: | 2014-02-15 | Release date: | 2014-12-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Crystallographic and spectroscopic snapshots reveal a dehydrogenase in action. Nat Commun, 6, 2015
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4Z2V
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![BU of 4z2v by Molmil](/molmil-images/mine/4z2v) | |
4Z31
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![BU of 4z31 by Molmil](/molmil-images/mine/4z31) | Crystal structure of the RC3H2 ROQ domain in complex with stem-loop and double-stranded forms of RNA | Descriptor: | CHLORIDE ION, RNA (5'-R(*A)-D(P*UP*GP*UP*UP*CP*UP*GP*UP*GP*AP*AP*CP*AP*C)-3'), Roquin-2, ... | Authors: | DONG, A, ZHANG, Q, TEMPEL, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, TONG, Y, Structural Genomics Consortium (SGC) | Deposit date: | 2015-03-30 | Release date: | 2015-10-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | New Insights into the RNA-Binding and E3 Ubiquitin Ligase Activities of Roquins. Sci Rep, 5, 2015
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4YXD
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![BU of 4yxd by Molmil](/molmil-images/mine/4yxd) | CRYSTAL STRUCTURE OF PORCINE HEART MITOCHONDRIAL COMPLEX II BOUND WITH flutolanil | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Harada, S, Shiba, T, Sato, D, Yamamoto, A, Nagahama, M, Yone, A, Inaoka, D.K, Sakamoto, K, Inoue, M, Honma, T, Kita, K. | Deposit date: | 2015-03-23 | Release date: | 2016-03-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural Insights into the Molecular Design of Flutolanil Derivatives Targeted for Fumarate Respiration of Parasite Mitochondria Int J Mol Sci, 16, 2015
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4ONV
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![BU of 4onv by Molmil](/molmil-images/mine/4onv) | Crystal structure of YagE, a KDG aldolase protein in complex with 2-Keto-3-deoxy gluconate | Descriptor: | 1,2-ETHANEDIOL, 2-KETO-3-DEOXYGLUCONATE, GLYCEROL, ... | Authors: | Manoj Kumar, P, Bhaskar, V, Manicka, S, Krishnaswamy, S. | Deposit date: | 2014-01-29 | Release date: | 2015-01-14 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Crystal structure of YagE, a KDG aldolase protein in complex with 2-Keto-3-deoxy gluconate To be Published
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4OOU
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![BU of 4oou by Molmil](/molmil-images/mine/4oou) | Crystal structure of beta-1,4-D-mannanase from Cryptopygus antarcticus | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-1,4-mannanase | Authors: | Kim, M.-K, An, Y.J, Jeong, C.-S, Cha, S.-S. | Deposit date: | 2014-02-04 | Release date: | 2014-08-06 | Last modified: | 2019-07-17 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Structure-based investigation into the functional roles of the extended loop and substrate-recognition sites in an endo-beta-1,4-d-mannanase from the Antarctic springtail, Cryptopygus antarcticus. Proteins, 82, 2014
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4YXX
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4YY4
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![BU of 4yy4 by Molmil](/molmil-images/mine/4yy4) | Crystal structure of BRD9 Bromodomain bound to DMSO | Descriptor: | Bromodomain-containing protein 9, DIMETHYL SULFOXIDE | Authors: | Tang, Y, Bellon, S, Cochran, A.G, Poy, F. | Deposit date: | 2015-03-23 | Release date: | 2015-09-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | A Subset of Human Bromodomains Recognizes Butyryllysine and Crotonyllysine Histone Peptide Modifications. Structure, 23, 2015
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4OWA
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![BU of 4owa by Molmil](/molmil-images/mine/4owa) | |
4OPY
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![BU of 4opy by Molmil](/molmil-images/mine/4opy) | Room temperature crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying R164S mutation | Descriptor: | CALCIUM ION, Extended spectrum beta-lactamase TEM-63, SULFATE ION, ... | Authors: | Dellus-Gur, E, Elias, M, Fraser, J.S, Tawfik, D.S. | Deposit date: | 2014-02-07 | Release date: | 2015-05-20 | Last modified: | 2018-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Negative Epistasis and Evolvability in TEM-1 beta-Lactamase--The Thin Line between an Enzyme's Conformational Freedom and Disorder. J. Mol. Biol., 427, 2015
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4YZA
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![BU of 4yza by Molmil](/molmil-images/mine/4yza) | C. bescii Family 3 pectate lyase double mutant K108A/Q111A in complex with trigalacturonic acid | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ... | Authors: | Alahuhta, P.M, Lunin, V.V. | Deposit date: | 2015-03-24 | Release date: | 2015-12-23 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | The catalytic mechanism and unique low pH optimum of Caldicellulosiruptor bescii family 3 pectate lyase. Acta Crystallogr.,Sect.D, 71, 2015
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4OWM
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![BU of 4owm by Molmil](/molmil-images/mine/4owm) | Anthranilate phosphoribosyl transferase from Mycobacterium tuberculosis in complex with 3-fluoroanthranilate, PRPP and Magnesium | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 2-azanyl-3-fluoranyl-benzoic acid, Anthranilate phosphoribosyltransferase, ... | Authors: | Castell, A, Cookson, T.V.M, Short, F.L, Lott, J.S. | Deposit date: | 2014-02-02 | Release date: | 2014-04-23 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Alternative substrates reveal catalytic cycle and key binding events in the reaction catalysed by anthranilate phosphoribosyltransferase from Mycobacterium tuberculosis. Biochem.J., 461, 2014
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4YZI
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![BU of 4yzi by Molmil](/molmil-images/mine/4yzi) | Crystal structure of blue-shifted channelrhodopsin mutant (T198G/G202A) | Descriptor: | OLEIC ACID, RETINAL, Sensory opsin A,Archaeal-type opsin 2, ... | Authors: | Kato, H.E, Kamiya, M, Ishitani, R, Hayashi, S, Nureki, O. | Deposit date: | 2015-03-25 | Release date: | 2015-05-27 | Last modified: | 2020-02-19 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Atomistic design of microbial opsin-based blue-shifted optogenetics tools. Nat Commun, 6, 2015
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4YZN
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![BU of 4yzn by Molmil](/molmil-images/mine/4yzn) | Humanized Roco4 bound to Compound 19 | Descriptor: | (4-{[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-2-fluoro-5-methoxyphenyl)(morpholin-4-yl)methanone, Probable serine/threonine-protein kinase roco4 | Authors: | Gilsbach, B.K, Messias, A.C, Ito, G, Sattler, M, Alessi, D.R, Wittinghofer, A, Kortholt, A. | Deposit date: | 2015-03-25 | Release date: | 2015-05-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural Characterization of LRRK2 Inhibitors. J.Med.Chem., 58, 2015
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4OQF
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![BU of 4oqf by Molmil](/molmil-images/mine/4oqf) | Mycobacterium tuberculosis RecA glycerol bound low temperature structure IIB-SR | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Protein RecA | Authors: | Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M. | Deposit date: | 2014-02-09 | Release date: | 2015-03-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability J.Biosci., 40, 2015
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4OQO
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![BU of 4oqo by Molmil](/molmil-images/mine/4oqo) | Crystal structure of the tryptic generated iron-free C-lobe of bovine Lactoferrin at 2.42 Angstrom resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lactotransferrin | Authors: | Singh, A, Rastogi, N, Pandey, S, Bhushan, A, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2014-02-10 | Release date: | 2014-03-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Structure of the iron-free true C-terminal half of bovine lactoferrin produced by tryptic digestion and its functional significance in the gut. Febs J., 281, 2014
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4OQV
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![BU of 4oqv by Molmil](/molmil-images/mine/4oqv) | High resolution crystal structure of human dihydroorotate dehydrogenase bound with DSM338 (N-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine) | Descriptor: | ACETIC ACID, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | Authors: | Deng, X, Phillips, M.A. | Deposit date: | 2014-02-10 | Release date: | 2014-06-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Fluorine Modulates Species Selectivity in the Triazolopyrimidine Class of Plasmodium falciparum Dihydroorotate Dehydrogenase Inhibitors. J.Med.Chem., 57, 2014
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4YY6
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![BU of 4yy6 by Molmil](/molmil-images/mine/4yy6) | Crystal structure of BRD9 Bromodomain bound to a butyryllysine peptide | Descriptor: | Bromodomain-containing protein 9, Histone H4 | Authors: | Tang, Y, Bellon, S, Cochran, A.G, Poy, F. | Deposit date: | 2015-03-23 | Release date: | 2015-09-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | A Subset of Human Bromodomains Recognizes Butyryllysine and Crotonyllysine Histone Peptide Modifications. Structure, 23, 2015
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4ORF
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![BU of 4orf by Molmil](/molmil-images/mine/4orf) | |
4YYD
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![BU of 4yyd by Molmil](/molmil-images/mine/4yyd) | Crystal structure of BRD9 Bromodomain bound to a crotonyllysine peptide | Descriptor: | Bromodomain-containing protein 9, Histone H4 | Authors: | Tang, Y, Bellon, S, Cochran, A.G, Poy, F. | Deposit date: | 2015-03-23 | Release date: | 2015-09-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | A Subset of Human Bromodomains Recognizes Butyryllysine and Crotonyllysine Histone Peptide Modifications. Structure, 23, 2015
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4Z0H
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![BU of 4z0h by Molmil](/molmil-images/mine/4z0h) | X-ray structure of cytoplasmic glyceraldehyde-3-phosphate dehydrogenase (GapC1) complexed with NAD | Descriptor: | Glyceraldehyde-3-phosphate dehydrogenase GAPC1, cytosolic, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Fermani, S, Zaffagnini, M, Orru, R, Falini, G, Trost, P. | Deposit date: | 2015-03-26 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Tuning Cysteine Reactivity and Sulfenic Acid Stability by Protein Microenvironment in Glyceraldehyde-3-Phosphate Dehydrogenases of Arabidopsis thaliana. Antioxid. Redox Signal., 24, 2016
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4OYY
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![BU of 4oyy by Molmil](/molmil-images/mine/4oyy) | |