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2OSS
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BU of 2oss by Molmil
Crystal structure of the Bromo domain 1 in human Bromodomain Containing Protein 4 (BRD4)
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4
Authors:Filippakopoulos, P, Keates, T, Savitsky, P, Burgess, N, Pike, A.C.W, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2007-02-06
Release date:2007-02-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
4J3Z
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BU of 4j3z by Molmil
Crystal structure of mandelate racemase/muconate lactonizing enzyme from Jannaschia sp. CCS1
Descriptor: Mandelate racemase/muconate lactonizing enzyme
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, Zenchek, W, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2013-02-06
Release date:2013-03-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of mandelate racemase/muconate lactonizing enzyme from Jannaschia sp. CCS1
To be Published
3TM2
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BU of 3tm2 by Molmil
Crystal structure of mature ThnT with a covalently bound product mimic
Descriptor: (2R)-N-(4-chloro-3-oxobutyl)-2,4-dihydroxy-3,3-dimethylbutanamide, cysteine transferase
Authors:Schildbach, J.F, Wright, N.T, Buller, A.R.
Deposit date:2011-08-30
Release date:2012-07-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Autoproteolytic Activation of ThnT Results in Structural Reorganization Necessary for Substrate Binding and Catalysis.
J.Mol.Biol., 422, 2012
4FDZ
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BU of 4fdz by Molmil
EutL from Clostridium perfringens, Crystallized Under Reducing Conditions
Descriptor: Ethanolamine utilization protein, SODIUM ION
Authors:Thompson, M.C, Cascio, D, Crowley, C.S, Kopstein, J.S, Yeates, T.O.
Deposit date:2012-05-29
Release date:2013-05-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:An allosteric model for control of pore opening by substrate binding in the EutL microcompartment shell protein.
Protein Sci., 24, 2015
4FEC
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BU of 4fec by Molmil
Crystal Structure of Htt36Q3H
Descriptor: Maltose-binding periplasmic protein,Huntingtin, ZINC ION
Authors:Kim, M.
Deposit date:2012-05-30
Release date:2013-03-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Beta conformation of polyglutamine track revealed by a crystal structure of Huntingtin N-terminal region with insertion of three histidine residues.
Prion, 7, 2013
3TN5
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BU of 3tn5 by Molmil
Crystal structure of GkaP mutant Y99L from Geobacillus kaustophilus HTA426
Descriptor: COBALT (II) ION, PHOSPHATE ION, Phosphotriesterase
Authors:An, J, Zhang, Z, Zhang, Y, Feng, Y, Wu, G.
Deposit date:2011-09-01
Release date:2012-09-12
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Engineering a thermostable lactonase for enhanced phosphotriesterase activity against organophosphate pesticides
to be published
2OVB
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BU of 2ovb by Molmil
Crystal Structure of StaL-sulfate complex
Descriptor: SULFATE ION, StaL
Authors:Shi, R, Matte, A, Cygler, M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
Deposit date:2007-02-13
Release date:2007-02-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Crystal structure of StaL, a glycopeptide antibiotic sulfotransferase from Streptomyces toyocaensis.
J.Biol.Chem., 282, 2007
3U0X
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BU of 3u0x by Molmil
Crystal structure of the B-specific-1,3-galactosyltransferase (GTB) in complex with compound 382
Descriptor: 1-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine, CHLORIDE ION, GLYCEROL, ...
Authors:Palcic, M.M, Jorgensen, R.
Deposit date:2011-09-29
Release date:2012-10-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A novel compound from a molecular fragment library screen inhibits glycosyltransferases by displacing the metal ion and interfering with substrate binding
To be Published
4IZV
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BU of 4izv by Molmil
The E41Q/C145A double mutant of the amidase from Nesterenkonia sp. AN1 in complex with acrylamide
Descriptor: Amidase, PROPIONAMIDE, prop-2-enamide
Authors:Kimani, S.W, Sewell, B.T.
Deposit date:2013-01-30
Release date:2014-02-12
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Covalent modifications of the active site cysteine occur as a result of mutating the glutamate of the catalytic triad in the amidase from Nesterenkonia sp.
To be Published
3GN9
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BU of 3gn9 by Molmil
Crystal structure of the major pseudopilin from the type 2 secretion system of Vibrio vulnificus
Descriptor: CALCIUM ION, D-MALATE, Type II secretory pathway, ...
Authors:Korotkov, K.V, Gray, M.D, Kreger, A, Turley, S, Sandkvist, M, Hol, W.G.J.
Deposit date:2009-03-16
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Calcium is essential for the major pseudopilin in the type 2 secretion system.
J.Biol.Chem., 284, 2009
3TPJ
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BU of 3tpj by Molmil
APO structure of BACE1
Descriptor: Beta-secretase 1, CHLORIDE ION, SULFATE ION, ...
Authors:Xu, Y.C, Li, M.J, Greenblatt, H, Chen, T.T, Silman, I, Sussman, J.L.
Deposit date:2011-09-08
Release date:2011-11-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Flexibility of the flap in the active site of BACE1 as revealed by crystal structures and molecular dynamics simulations
Acta Crystallogr.,Sect.D, 68, 2012
4J07
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BU of 4j07 by Molmil
Crystal structure of a PROBABLE RIBOFLAVIN SYNTHASE, BETA CHAIN RIBH (6,7-dimethyl-8-ribityllumazine synthase, DMRL synthase, Lumazine synthase) from Mycobacterium leprae
Descriptor: 6,7-dimethyl-8-ribityllumazine synthase, SODIUM ION, SULFATE ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-01-30
Release date:2013-03-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of a Probable Riboflavin Synthase, Beta chain RIBH (6,7-dimethyl-8-ribityllumazine synthase, DMRL synthase, Lumazine synthase) from Mycobacterium leprae
TO BE PUBLISHED
3GOP
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BU of 3gop by Molmil
Crystal structure of the EGF receptor juxtamembrane and kinase domains
Descriptor: Epidermal growth factor receptor
Authors:Choi, S.H, Alvarado, D, Moravcevic, K, Lemmon, M.A.
Deposit date:2009-03-19
Release date:2009-07-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The juxtamembrane region of the EGF receptor functions as an activation domain.
Mol.Cell, 34, 2009
3TQU
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BU of 3tqu by Molmil
Structure of a HAM1 protein from Coxiella burnetii
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Non-canonical purine NTP pyrophosphatase
Authors:Cheung, J, Franklin, M.C, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2011-09-09
Release date:2011-09-21
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
4IVS
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BU of 4ivs by Molmil
Crystal structure of BACE1 with its inhibitor
Descriptor: Beta-secretase 1, N-{N-[4-(acetylamino)-3,5-dichlorobenzyl]carbamimidoyl}-2-(6-cyano-1H-indol-1-yl)acetamide
Authors:Chen, T.T, Li, L, Chen, W.Y, Xu, Y.C.
Deposit date:2013-01-23
Release date:2013-11-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.636 Å)
Cite:Virtual screening and structure-based discovery of indole acylguanidines as potent beta-secretase (BACE1) inhibitors
Molecules, 18, 2013
3GPQ
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BU of 3gpq by Molmil
Crystal structure of macro domain of Chikungunya virus in complex with RNA
Descriptor: Non-structural protein 3, RNA (5'-R(*AP*AP*A)-3')
Authors:Malet, H, Jamal, S, Coutard, B, Canard, B.
Deposit date:2009-03-23
Release date:2009-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:The crystal structures of Chikungunya and Venezuelan equine encephalitis virus nsP3 macro domains define a conserved adenosine binding pocket
J.Virol., 83, 2009
4IW3
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BU of 4iw3 by Molmil
Crystal structure of a Pseudomonas putida prolyl-4-hydroxylase (P4H) in complex with elongation factor Tu (EF-Tu)
Descriptor: Elongation factor Tu-A, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Scotti, J.S, McDonough, M.A, Schofield, C.J.
Deposit date:2013-01-23
Release date:2014-01-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.697 Å)
Cite:Human oxygen sensing may have origins in prokaryotic elongation factor Tu prolyl-hydroxylation
Proc.Natl.Acad.Sci.USA, 111, 2014
4F7E
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BU of 4f7e by Molmil
Crystal structure of bovine CD1d with bound C16:0-alpha-galactosyl ceramide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, ...
Authors:Wang, J, Zajonc, D.M.
Deposit date:2012-05-15
Release date:2012-11-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structures of Bovine CD1d Reveal Altered αGalCer Presentation and a Restricted A' Pocket Unable to Bind Long-Chain Glycolipids.
Plos One, 7, 2012
2OYA
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BU of 2oya by Molmil
Crystal structure analysis of the dimeric form of the SRCR domain of mouse MARCO
Descriptor: Macrophage receptor MARCO, SULFATE ION
Authors:Ojala, J.R.M, Pikkarainen, T, Tuuttila, A, Sandalova, T, Tryggvason, K.
Deposit date:2007-02-21
Release date:2007-04-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Crystal structure of the cysteine-rich domain of scavenger receptor MARCO reveals the presence of a basic and an acidic cluster that both contribute to ligand recognition.
J.Biol.Chem., 282, 2007
2OZ6
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BU of 2oz6 by Molmil
Crystal Structure of Virulence Factor Regulator from Pseudomonas aeruginosa in complex with cAMP
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Virulence Factor Regulator
Authors:Cordes, T.J, Bright, A.R, Forest, K.T.
Deposit date:2007-02-24
Release date:2008-03-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of the Pseudomonas aeruginosa Virulence Factor Regulator.
J.Bacteriol., 193, 2011
2OKZ
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BU of 2okz by Molmil
MVGGVV peptide derived from Alzheimer's A-beta
Descriptor: peptide from Alzheimer's A-beta
Authors:Sawaya, M.R, Sambashivan, S, Eisenberg, D.
Deposit date:2007-01-18
Release date:2007-01-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Atomic structures of amyloid cross-beta spines reveal varied steric zippers.
Nature, 447, 2007
3TV2
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BU of 3tv2 by Molmil
Structure of a class II fumarate hydratase from Burkholderia pseudomallei
Descriptor: Fumarate hydratase, class II, SODIUM ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-09-19
Release date:2011-09-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of a class II fumarate hydratase from Burkholderia pseudomallei
To be Published
3H3T
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BU of 3h3t by Molmil
Crystal structure of the CERT START domain in complex with HPA-16
Descriptor: Goodpasture antigen binding protein, N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]hexadecanamide
Authors:Kudo, N, Wakatsuki, S, Kato, R.
Deposit date:2009-04-17
Release date:2010-03-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of the CERT START domain with inhibitors provide insights into the mechanism of ceramide transfer.
J.Mol.Biol., 396, 2010
3TYZ
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BU of 3tyz by Molmil
Crystal Structure of the Yersinia pestis Dihydropteroate synthetase with substrate transition state complex.
Descriptor: 2-amino-6-methylidene-6,7-dihydropteridin-4(3H)-one, 4-AMINOBENZOIC ACID, 7,8-dihydropteroate synthase, ...
Authors:Wu, Y.
Deposit date:2011-09-26
Release date:2012-03-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Catalysis and sulfa drug resistance in dihydropteroate synthase.
Science, 335, 2012
3GTN
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BU of 3gtn by Molmil
Crystal Structure of XynC from Bacillus subtilis 168
Descriptor: Glucuronoxylanase xynC
Authors:St John, F.J, Hurlbert, J.C, Pozharski, E.
Deposit date:2009-03-27
Release date:2009-04-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Crystallization and crystallographic analysis of Bacillus subtilis xylanase C.
Acta Crystallogr.,Sect.F, 65, 2009

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