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5AG4
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BU of 5ag4 by Molmil
CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A THIAZOLIDINONE LIGAND
Descriptor: (2S)-3-(3-chlorophenyl)-2-(pyridin-2-yl)-1,3-thiazolidin-4-one, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA
Authors:Robinson, D.A, Spinks, D, Smith, V.C, Thompson, S, Smith, A, Torrie, L.S, McElroy, S.P, Brand, S, Brenk, R, Frearson, J.A, Read, K.D, Wyatt, P.G, Gilbert, I.H.
Deposit date:2015-01-29
Release date:2015-10-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Development of Small-Molecule Trypanosoma Brucei N-Myristoyltransferase Inhibitors: Discovery and Optimisation of a Novel Binding Mode.
Chemmedchem, 10, 2015
4ZU2
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BU of 4zu2 by Molmil
Pseudomonas aeruginosa AtuE
Descriptor: IODIDE ION, Putative isohexenylglutaconyl-CoA hydratase
Authors:Poudel, N, Pfannstiel, J, Simon, O, Walter, N, Jendrossek, D, Papageorgiou, A.C.
Deposit date:2015-05-15
Release date:2015-07-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The Pseudomonas aeruginosa Isohexenyl Glutaconyl Coenzyme A Hydratase (AtuE) Is Upregulated in Citronellate-Grown Cells and Belongs to the Crotonase Family.
Appl.Environ.Microbiol., 81, 2015
4ZVI
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BU of 4zvi by Molmil
GYRASE B IN COMPLEX WITH 4,5-DIBROMOPYRROLAMIDE-BASED INHIBITOR
Descriptor: DNA gyrase subunit B, IODIDE ION, N-(4-{[(4,5-dibromo-1H-pyrrol-2-yl)carbonyl]amino}benzoyl)glycine
Authors:Zidar, N, Macut, H, Tomasic, T, Brvar, M, Montalvao, S, Tammela, P, Solmajer, T, Peterlin Masic, L, Ilas, J, Kikelj, D.
Deposit date:2015-05-18
Release date:2015-07-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:N-Phenyl-4,5-dibromopyrrolamides and N-Phenylindolamides as ATP Competitive DNA Gyrase B Inhibitors: Design, Synthesis, and Evaluation.
J.Med.Chem., 58, 2015
5AGE
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BU of 5age by Molmil
CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A BENZOMORPHOLINONE LIGAND
Descriptor: 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-7-[4-(1-methylpiperidin-4-yl)butyl]-2H-1,4-benzoxazin-3(4H)-one, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA
Authors:Robinson, D.A, Spinks, D, Smith, V.C, Thompson, S, Smith, A, Torrie, L.S, McElroy, S.P, Brand, S, Brenk, R, Frearson, J.A, Read, K.D, Wyatt, P.G, Gilbert, I.H.
Deposit date:2015-01-29
Release date:2015-10-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Development of Small-Molecule Trypanosoma Brucei N-Myristoyltransferase Inhibitors: Discovery and Optimisation of a Novel Binding Mode.
Chemmedchem, 10, 2015
5HLN
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BU of 5hln by Molmil
X-RAY CRYSTAL STRUCTURE OF GSK3B IN COMPLEX WITH CHIR99021
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHIR99021, Glycogen synthase kinase-3 beta, ...
Authors:White, A, Lakshminarasimhan, D, Nadupalli, A, Suto, R.K.
Deposit date:2016-01-15
Release date:2016-05-25
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Inhibitors of Glycogen Synthase Kinase 3 with Exquisite Kinome-Wide Selectivity and Their Functional Effects.
Acs Chem.Biol., 11, 2016
5A39
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BU of 5a39 by Molmil
Structure of Rad14 in complex with cisplatin containing DNA
Descriptor: 5'-D(*DGP*AP*TP*GP*AP*CP*CP*GP*TP*AP*GP*AP*GP)-3', 5'-D(*DTP*GP*AP*TP*GP*AP*CP*CP*GP*TP*AP*GP*AP)-3', Cisplatin, ...
Authors:Koch, S.C, Kuper, J, Gasteiger, K.L, Wichlein, N, Strasser, R, Eisen, D, Geiger, S, Schneider, S, Kisker, C, Carell, T.
Deposit date:2015-05-28
Release date:2015-06-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Insights Into the Recognition of Cisplatin and Aaf-Dg Lesion by Rad14 (Xpa).
Proc.Natl.Acad.Sci.USA, 112, 2015
4ZSW
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BU of 4zsw by Molmil
Pig Brain GABA-AT inactivated by (E)-(1S,3S)-3-Amino-4-fluoromethylenyl-1-cyclopentanoic acid
Descriptor: (1S)-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-3-ene-1,3-dicarboxylic acid, 4-aminobutyrate aminotransferase, mitochondrial, ...
Authors:Wu, R, Lee, H, Le, H.V, Doud, E, Sanishvili, R, Compton, P, Kelleher, N.L, Silverman, R.B, Liu, D.
Deposit date:2015-05-14
Release date:2015-07-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mechanism of Inactivation of GABA Aminotransferase by (E)- and (Z)-(1S,3S)-3-Amino-4-fluoromethylenyl-1-cyclopentanoic Acid.
Acs Chem.Biol., 10, 2015
4ZSY
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BU of 4zsy by Molmil
Pig Brain GABA-AT inactivated by (Z)-(1S,3S)-3-Amino-4-fluoromethylenyl-1-cyclopentanoic acid.
Descriptor: (1S)-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-3-ene-1,3-dicarboxylic acid, 4-aminobutyrate aminotransferase, mitochondrial, ...
Authors:Wu, R, Lee, H, Le, H.V, Doud, E, Sanishvili, R, Compton, P, Kelleher, N.L, Silverman, R.B, Liu, D.
Deposit date:2015-05-14
Release date:2015-07-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mechanism of Inactivation of GABA Aminotransferase by (E)- and (Z)-(1S,3S)-3-Amino-4-fluoromethylenyl-1-cyclopentanoic Acid.
Acs Chem.Biol., 10, 2015
4ZWC
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BU of 4zwc by Molmil
Crystal structure of maltose-bound human GLUT3 in the outward-open conformation at 2.6 angstrom
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Solute carrier family 2, facilitated glucose transporter member 3, ...
Authors:Deng, D, Sun, P.C, Yan, C.Y, Yan, N.
Deposit date:2015-05-19
Release date:2015-07-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Molecular basis of ligand recognition and transport by glucose transporters
Nature, 526, 2015
4ZW9
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BU of 4zw9 by Molmil
Crystal structure of human GLUT3 bound to D-glucose in the outward-occluded conformation at 1.5 angstrom
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Solute carrier family 2, facilitated glucose transporter member 3, ...
Authors:Deng, D, Sun, P.C, Yan, C.Y, Yan, N.
Deposit date:2015-05-19
Release date:2015-07-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.502 Å)
Cite:Molecular basis of ligand recognition and transport by glucose transporters
Nature, 526, 2015
5AIF
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BU of 5aif by Molmil
Discovery and characterization of thermophilic limonene-1,2-epoxide hydrolases from hot spring metagenomic libraries. Tomsk-sample-Native
Descriptor: IMIDAZOLE, LIMONENE-1,2-EPOXIDE HYDROLASE
Authors:Ferrandi, E, Sayer, C, Isupov, M.N, Annovazzi, C, Marchesi, C, Iacobone, G, Peng, X, Bonch-Osmolovskaya, E, Wohlgemuth, R, Littlechild, J.A, Montia, D.
Deposit date:2015-02-13
Release date:2015-06-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Discovery and Characterization of Thermophilic Limonene-1,2-Epoxide Hydrolases from Hot Spring Metagenomic Libraries
FEBS J., 282, 2015
5A2L
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BU of 5a2l by Molmil
Crystal structure of scFv-SM3 in complex with APD-CGalNAc-RP
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, MODIFIED ANTIGEN TN, ...
Authors:Martinez-Saez, N, Castro-Lopez, J, Valero-Gonzalez, J, Madariaga, D, Companon, I, Somovilla, V.J, Salvado, M, Asensio, J.L, Jimenez-Barbero, J, Avenoza, A, Busto, J.H, Bernardes, G.J.L, Peregrina, J.M, Hurtado-Guerrero, R, Corzana, F.
Deposit date:2015-05-20
Release date:2015-06-03
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Deciphering the Non-Equivalence of Serine and Threonine O-Glycosylation Points: Implications for Molecular Recognition of the Tn Antigen by an Anti-Muc1 Antibody.
Angew.Chem.Int.Ed.Engl., 54, 2015
5A2Q
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BU of 5a2q by Molmil
Structure of the HCV IRES bound to the human ribosome
Descriptor: 18S RRNA, HCV IRES, MAGNESIUM ION, ...
Authors:Quade, N, Leiundgut, M, Boehringer, D, Heuvel, J.v.d, Ban, N.
Deposit date:2015-05-21
Release date:2015-07-15
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Cryo-Em Structure of Hepatitis C Virus Ires Bound to the Human Ribosome at 3.9 Angstrom Resolution
Nat.Commun., 6, 2015
5A8V
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BU of 5a8v by Molmil
Crystal structure of Orgyia pseudotsugata CPV5 polyhedra with SeMet substitution
Descriptor: CALCIUM ION, POLYHEDRIN
Authors:Ji, X, Axford, D, Owen, R, Evans, G, Ginn, H.M, Sutton, G, Stuart, D.I.
Deposit date:2015-07-17
Release date:2015-09-02
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.074 Å)
Cite:Polyhedra Structures and the Evolution of the Insect Viruses.
J.Struct.Biol., 192, 2015
5A9P
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BU of 5a9p by Molmil
Crystal structure of Operophtera brumata CPV18 polyhedra
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, POLYHEDRIN
Authors:Ji, X, Axford, D, Owen, R, Evans, G, Ginn, H.M, Sutton, G, Stuart, D.I.
Deposit date:2015-07-21
Release date:2015-09-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.476 Å)
Cite:Polyhedra Structures and the Evolution of the Insect Viruses.
J.Struct.Biol., 192, 2015
5A8T
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BU of 5a8t by Molmil
Crystal structure of Antheraea mylitta CPV4 polyhedra type 2
Descriptor: POLYHEDRIN
Authors:Ji, X, Axford, D, Owen, R, Evans, G, Ginn, H.M, Sutton, G, Stuart, D.I.
Deposit date:2015-07-17
Release date:2015-09-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.003 Å)
Cite:Polyhedra Structures and the Evolution of the Insect Viruses.
J.Struct.Biol., 192, 2015
5A63
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BU of 5a63 by Molmil
Cryo-EM structure of the human gamma-secretase complex at 3.4 angstrom resolution.
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Bai, X, Yan, C, Yang, G, Lu, P, Ma, D, Sun, L, Zhou, R, Scheres, S.H.W, Shi, Y.
Deposit date:2015-06-24
Release date:2015-08-05
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:An Atomic Structure of Human Gamma-Secretase
Nature, 525, 2015
4ZZF
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BU of 4zzf by Molmil
Crystal structure of truncated FlgD (tetragonal form) from the human pathogen Helicobacter pylori
Descriptor: Flagellar basal body rod modification protein
Authors:Pulic, I, Cendron, L, Salamina, M, Matkovic-Calogovic, D, Zanotti, G.
Deposit date:2015-05-22
Release date:2016-02-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1673 Å)
Cite:Crystal structure of truncated FlgD from the human pathogen Helicobacter pylori.
J.Struct.Biol., 194, 2016
5HLP
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BU of 5hlp by Molmil
X-RAY CRYSTAL STRUCTURE OF GSK3B IN COMPLEX WITH BRD3937
Descriptor: 4-(2-methoxyphenyl)-3,7,7-trimethyl-1,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta
Authors:White, A, Lakshminarasimhan, D, Nadupalli, A, Suto, R.K.
Deposit date:2016-01-15
Release date:2016-05-25
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Inhibitors of Glycogen Synthase Kinase 3 with Exquisite Kinome-Wide Selectivity and Their Functional Effects.
Acs Chem.Biol., 11, 2016
5AG8
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BU of 5ag8 by Molmil
CRYSTAL STRUCTURE OF A MUTANT (665I6H) OF THE C-TERMINAL DOMAIN OF RGPB
Descriptor: GINGIPAIN R2, GLYCEROL, SULFATE ION
Authors:de Diego, I, Ksiazek, M, Mizgalska, D, Golik, P, Szmigielski, B, Nowak, M, Nowakowska, Z, Potempa, B, Koneru, L, Nguyen, K.A, Enghild, J, Thogersen, I.B, Dubin, G, Gomis-Ruth, F.X, Potempa, J.
Deposit date:2015-01-29
Release date:2016-04-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Outer-Membrane Export Signal of Porphyromonas Gingivalis Type Ix Secretion System (T9Ss) is a Conserved C-Terminal Beta-Sandwich Domain.
Sci.Rep., 6, 2016
5AGS
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BU of 5ags by Molmil
Crystal structure of the LeuRS editing domain of Mycobacterium tuberculosis in complex with the adduct 3-(Aminomethyl)-4-bromo-7-ethoxybenzo[c][1,2]oxaborol-1(3H)-ol-AMP
Descriptor: 3-(AMINOMETHYL)-4-BROMO-7-ETHOXYBENZO[C][1,2]OXABOROL-1(3H)-OL-MODIFIED ADENOSINE, LEUCYL-TRNA SYNTHETASE, METHIONINE
Authors:Palencia, A, Li, X, Alley, M.R.K, Ding, C, Easom, E.E, Hernandez, V, Meewan, M, Mohan, M, Rock, F.L, Franzblau, S.G, Wang, Y, Lenaerts, A.J, Parish, T, Cooper, C.B, Waters, M.G, Ma, Z, Mendoza, A, Barros, D, Cusack, S, Plattner, J.J.
Deposit date:2015-02-03
Release date:2016-03-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
5AGF
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BU of 5agf by Molmil
Nitrosyl complex of the D121Q variant of cytochrome c prime from Alcaligenes xylosoxidans
Descriptor: CYTOCHROME C PRIME, HEME C, NITRIC OXIDE, ...
Authors:Gahfoor, D.D, Kekilli, D, Abdullah, G.H, Dworkowski, F.S.N, Hassan, H.G, Wilson, M.T, Hough, M.A, Strange, R.W.
Deposit date:2015-01-30
Release date:2015-09-09
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Hydrogen Bonding of the Dissociated Histidine Ligand is not Required for Formation of a Proximal No Adduct in Cytochrome C'.
J.Biol.Inorg.Chem., 20, 2015
5AF6
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BU of 5af6 by Molmil
Structure of Lys33-linked diUb bound to Trabid NZF1
Descriptor: TRABID, UBIQUITIN, ZINC ION
Authors:Michel, M.A, Elliott, P.R, Swatek, K.N, Simicek, M, Pruneda, J.N, Wagstaff, J.L, Freund, S.M.V, Komander, D.
Deposit date:2015-01-19
Release date:2015-03-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Assembly and Specific Recognition of K29- and K33-Linked Polyubiquitin.
Mol.Cell, 58, 2015
5AG7
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BU of 5ag7 by Molmil
CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A BENZOMORPHOLINE LIGAND
Descriptor: GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA, ethyl (3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate
Authors:Robinson, D.A, Spinks, D, Smith, V.C, Thompson, S, Smith, A, Torrie, L.S, McElroy, S.P, Brand, S, Brenk, R, Frearson, J.A, Read, K.D, Wyatt, P.G, Gilbert, I.H.
Deposit date:2015-01-29
Release date:2015-10-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Development of Small-Molecule Trypanosoma Brucei N-Myristoyltransferase Inhibitors: Discovery and Optimisation of a Novel Binding Mode.
Chemmedchem, 10, 2015
5A3Y
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BU of 5a3y by Molmil
SAD structure of Thermolysin obtained by multi crystal data collection
Descriptor: CALCIUM ION, DIMETHYL SULFOXIDE, LYSINE, ...
Authors:Zander, U, Bourenkov, G, Popov, A.N, de Sanctis, D, McCarthy, A.A, Svensson, O, Round, E.S, Gordeliy, V.I, Mueller-Dieckmann, C, Leonard, G.A.
Deposit date:2015-06-04
Release date:2015-11-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Meshandcollect: An Automated Multi-Crystal Data-Collection Workflow for Synchrotron Macromolecular Crystallography Beamlines.
Acta Crystallogr.,Sect.D, 71, 2015

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