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4OU8
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BU of 4ou8 by Molmil
Crystal structure of apocarotenoid oxygenase in the presence of C8E6
Descriptor: Apocarotenoid-15,15'-oxygenase, CHLORIDE ION, FE (II) ION
Authors:Sui, X, Shi, W, Palczewski, K, Kiser, P.D.
Deposit date:2014-02-15
Release date:2014-03-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Analysis of Carotenoid Isomerase Activity in a Prototypical Carotenoid Cleavage Enzyme, Apocarotenoid Oxygenase (ACO).
J.Biol.Chem., 289, 2014
4Z2H
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BU of 4z2h by Molmil
Serratia marcescens Chitinase B complexed with macrolide inhibitor 29
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 {2-[N'-(methylcarbamoyl)carbamimidamido]ethyl}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 (2.35 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
4OWO
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BU of 4owo by Molmil
Anthranilate phosphoribosyl transferase from Mycobacterium tuberculosis in complex with 6-fluoroanthranilate, PRPP and Magnesium
Descriptor: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 2-azanyl-6-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
4Z3B
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BU of 4z3b by Molmil
Crystal structure of MnCO/apo-R52CFr
Descriptor: CADMIUM ION, Ferritin light chain, GLYCEROL, ...
Authors:Fujita, K, Tanaka, Y, Abe, S, Ueno, T.
Deposit date:2015-03-31
Release date:2015-10-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:A Photoactive Carbon-Monoxide-Releasing Protein Cage for Dose-Regulated Delivery in Living Cells
Angew.Chem.Int.Ed.Engl., 55, 2016
4Z3K
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BU of 4z3k by Molmil
Human sepiapterin reductase in complex with the cofactor NADP+ and the trypthophan metabolite xanthurenic acid
Descriptor: 1,2-ETHANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ...
Authors:Johnsson, K.
Deposit date:2015-03-31
Release date:2015-11-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Tetrahydrobiopterin Biosynthesis as a Potential Target of the Kynurenine Pathway Metabolite Xanthurenic Acid.
J.Biol.Chem., 291, 2016
4OWY
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BU of 4owy by Molmil
Crystal Structure of Ahp1 from Saccharomyces cerevisiae. Investigating the electron transfers.
Descriptor: ACETIC ACID, DI(HYDROXYETHYL)ETHER, Peroxiredoxin type-2, ...
Authors:Schultz, L, Genu, V, Breyer, C.A, dos Santos, V.F, Guimaraes, B.G, Netto, L.E.S, de Oliveira, M.A.
Deposit date:2014-02-04
Release date:2015-02-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of Ahp1 from Saccharomyces cerevisiae. Investigating the electron transfers.
To be published
4Z3V
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BU of 4z3v by Molmil
Fragment-Based Discovery of a Small Molecule Reversible Inhibitor of Bruton's Tyrosine Kinase
Descriptor: 1,2-ETHANEDIOL, 4-amino-8-(5-methyl-1H-indazol-6-yl)cinnoline-3-carboxamide, IMIDAZOLE, ...
Authors:Dougan, D.R.
Deposit date:2015-03-31
Release date:2015-07-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Fragment-Based Discovery of a Small Molecule Inhibitor of Bruton's Tyrosine Kinase.
J.Med.Chem., 58, 2015
4OXC
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BU of 4oxc by Molmil
Crystal structure of XIAP BIR1 domain
Descriptor: E3 ubiquitin-protein ligase XIAP, ZINC ION
Authors:Milani, M, Cossu, F, Mastrangelo, E.
Deposit date:2014-02-05
Release date:2015-02-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:NF023 binding to XIAP-BIR1: Searching drugs for regulation of the NF-kappa B pathway.
Proteins, 83, 2015
4Z4K
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BU of 4z4k by Molmil
Crystal structure of GFP-TAX1BP1 UBZ1+2 domain fusion protein
Descriptor: Green fluorescent protein,Tax1-binding protein 1, ZINC ION
Authors:Rohaim, A, Kawasaki, M, Wakatsuki, S.
Deposit date:2015-04-02
Release date:2016-04-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A novel mode of ubiquitin recognition by the ubiquitin-binding zinc finger domain of WRNIP1.
Febs J., 283, 2016
4OYV
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BU of 4oyv by Molmil
Crystal structure of MltF from Pseudomonas aeruginosa complexed with leucine
Descriptor: CHLORIDE ION, LEUCINE, Membrane-bound lytic murein transglycosylase F
Authors:Reddem, E, Thunnissen, A.M.W.H.
Deposit date:2014-02-13
Release date:2015-03-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Crystal structure of MltF from Pseudomonas aeruginosa complexed with leucine
To Be Published
4OXW
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BU of 4oxw by Molmil
X-ray structure of a designed CISK-PX domain
Descriptor: SULFATE ION, designed CISK-PX domain
Authors:Zhang, Y, Shultis, D.D, Dodge, G.
Deposit date:2014-02-07
Release date:2015-01-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:X-ray structure of a designed CISK-PX domain
To Be Published
4Z5H
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BU of 4z5h by Molmil
HipB(S29A)-O2 20mer complex
Descriptor: Antitoxin HipB, DNA (5'-D(*TP*TP*AP*TP*CP*CP*TP*CP*AP*CP*TP*AP*AP*AP*GP*GP*AP*TP*AP*A)-3')
Authors:Min, J, Brennan, R.G, Schumacher, M.A.
Deposit date:2015-04-02
Release date:2016-07-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular mechanism on hipBA gene regulation.
To be published
4OY4
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BU of 4oy4 by Molmil
calcium-free CaMPARI v0.2
Descriptor: Chimera protein of Calmodulin, GPF-like protein EosFP, and Myosin light chain kinase, ...
Authors:Fosque, B.F, Schreiter, E.R.
Deposit date:2014-02-10
Release date:2015-02-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Neural circuits. Labeling of active neural circuits in vivo with designed calcium integrators.
Science, 347, 2015
4Z6I
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BU of 4z6i by Molmil
Crystal structure of BRD9 bromodomain in complex with a substituted valerolactam quinolone ligand
Descriptor: Bromodomain-containing protein 9, tert-butyl [(2R,3S)-1-(1,4-dimethyl-2-oxo-1,2-dihydroquinolin-7-yl)-6-oxo-2-phenylpiperidin-3-yl]carbamate
Authors:Tallant, C, Structural Genomics Consortium (SGC), Clark, P.G.K, Vieira, L.C.C, Newman, J.A, Krojer, T, Nunez-Alonso, G, Picaud, S, Fedorov, O, Dixon, D.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S.
Deposit date:2015-04-05
Release date:2015-05-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:LP99: Discovery and Synthesis of the First Selective BRD7/9 Bromodomain Inhibitor.
Angew.Chem.Int.Ed.Engl., 54, 2015
4Z71
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BU of 4z71 by Molmil
Crystal structure of inorganic pyrophosphatase from Mycobacterium tuberculosis in complex with Mg ions
Descriptor: Inorganic pyrophosphatase, MAGNESIUM ION
Authors:Pratt, A.C, Biswas, T, Tsodikov, O.V.
Deposit date:2015-04-06
Release date:2015-08-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural and computational dissection of the catalytic mechanism of the inorganic pyrophosphatase from Mycobacterium tuberculosis.
J.Struct.Biol., 192, 2015
4Z7C
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BU of 4z7c by Molmil
Diphosphomevalonate decarboxylase from the Sulfolobus solfataricus, space group h32
Descriptor: Diphosphomevalonate decarboxylase, GLYCEROL, PHOSPHATE ION, ...
Authors:Unno, H, Hattori, A, Hemmi, H.
Deposit date:2015-04-07
Release date:2015-09-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:In Vivo Formation of the Protein Disulfide Bond That Enhances the Thermostability of Diphosphomevalonate Decarboxylase, an Intracellular Enzyme from the Hyperthermophilic Archaeon Sulfolobus solfataricus
J.Bacteriol., 197, 2015
4Z7P
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BU of 4z7p by Molmil
X-ray structure of racemic ShK Q16K toxin
Descriptor: Potassium channel toxin kappa-stichotoxin-She1a, SULFATE ION
Authors:Sickmier, E.A.
Deposit date:2015-04-07
Release date:2015-09-09
Last modified:2015-09-23
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Pharmaceutical Optimization of Peptide Toxins for Ion Channel Targets: Potent, Selective, and Long-Lived Antagonists of Kv1.3.
J.Med.Chem., 58, 2015
4ZB3
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BU of 4zb3 by Molmil
Crystal structure of the apo AtNUDT7
Descriptor: Nudix hydrolase 7, SULFATE ION
Authors:Tang, Q, Liu, C, Zhong, C, Ding, J.
Deposit date:2015-04-14
Release date:2015-09-09
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structures of Arabidopsis thaliana Nudix Hydrolase NUDT7 Reveal a Previously Unobserved Conformation.
Mol Plant, 8, 2015
4ZBC
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BU of 4zbc by Molmil
A dehydrated form of glucose isomerase collected at 100K.
Descriptor: MANGANESE (II) ION, Xylose isomerase, alpha-D-glucopyranose, ...
Authors:Sandy, J.
Deposit date:2015-04-14
Release date:2016-03-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:A generic protocol for protein crystal dehydration using the HC1b humidity controller.
Acta Crystallogr D Struct Biol, 72, 2016
4ZBR
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BU of 4zbr by Molmil
Crystal Structure of Equine Serum Albumin in complex with Diclofenac and Naproxen
Descriptor: (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid, (2S)-2-hydroxybutanedioic acid, 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, ...
Authors:Sekula, B, Bujacz, A, Bujacz, G.
Deposit date:2015-04-15
Release date:2015-12-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Structural Insights into the Competitive Binding of Diclofenac and Naproxen by Equine Serum Albumin.
J.Med.Chem., 59, 2016
4PCQ
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BU of 4pcq by Molmil
Crystal Structure of MtbAldR (Rv2779c)
Descriptor: Possible transcriptional regulatory protein (Probably Lrp/AsnC-family)
Authors:Dey, A, Ramachandran, R.
Deposit date:2014-04-16
Release date:2015-05-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Crystal structure of MtbAldR
To be published
4ZEJ
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BU of 4zej by Molmil
Crystal Structure of DIM-1 Metallo-beta-Lactamase exposed to Ceftazidime
Descriptor: CHLORIDE ION, Metallo-beta-lactamase, ZINC ION
Authors:Booth, M.P.S, Kosmopoulou, M, Spencer, J.
Deposit date:2015-04-20
Release date:2015-05-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Crystal Stricture of DIM-1 Metallo-beta-Lactamase
To Be Published
4ZFY
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BU of 4zfy by Molmil
Structural studies on a non-toxic homologue of type II RIPs from Momordica charantia (bitter gourd) in complex with ALPHA-METHYL-D-GALACTOSIDE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, methyl alpha-D-galactopyranoside, ...
Authors:Chandran, T, Sharma, A, Vijayan, M.
Deposit date:2015-04-22
Release date:2016-03-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Structural studies on a non-toxic homologue of type II RIPs from bitter gourd: Molecular basis of non-toxicity, conformational selection and glycan structure.
J.Biosci., 40, 2015
4ZG6
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BU of 4zg6 by Molmil
Structural basis for inhibition of human autotaxin by four novel compounds
Descriptor: 4-{(Z)-2-[6-chloro-1-(4-fluorobenzyl)-1H-indol-3-yl]-1-cyanoethenyl}benzoic acid, CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ...
Authors:Stein, A.J, Bain, G, Hutchinson, J.H, Evans, J.F.
Deposit date:2015-04-22
Release date:2015-10-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Basis for Inhibition of Human Autotaxin by Four Potent Compounds with Distinct Modes of Binding.
Mol.Pharmacol., 88, 2015
4ZH0
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BU of 4zh0 by Molmil
Structure of Helicobacter pylori adhesin BabA determined by SeMet SAD
Descriptor: Outer membrane protein-adhesin
Authors:Howard, T.D, Hage, N, Phillips, C, Brassington, C.A, Debreczeni, J, Overman, R, Gellert, P, Stolnik, S, Winkler, G.S, Falcone, F.H.
Deposit date:2015-04-24
Release date:2015-08-19
Last modified:2015-12-09
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structural basis of Lewis(b) antigen binding by the Helicobacter pylori adhesin BabA.
Sci Adv, 1, 2015

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