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4NK9
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BU of 4nk9 by Molmil
Crystal structure of human fibroblast growth factor receptor 1 kinase domain in complex with pyrazolaminopyrimidine 1
Descriptor: 1,2-ETHANEDIOL, FIBROBLAST GROWTH FACTOR RECEPTOR 1, N~4~-{5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl}-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine, ...
Authors:Norman, R.A, Klein, T.
Deposit date:2013-11-12
Release date:2013-12-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:FGFR1 Kinase Inhibitors: Close Regioisomers Adopt Divergent Binding Modes and Display Distinct Biophysical Signatures.
ACS Med Chem Lett, 5, 2014
4NIA
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BU of 4nia by Molmil
Satellite Tobacco Mosaic Virus Refined at room temperature to 1.8 A Resolution using NCS Restraints
Descriptor: Coat protein, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Larson, S.B, Day, J.S, McPherson, A.
Deposit date:2013-11-05
Release date:2014-09-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Satellite tobacco mosaic virus refined to 1.4 angstrom resolution.
Acta Crystallogr.,Sect.D, 70, 2014
4JDT
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BU of 4jdt by Molmil
Crystal structure of chimeric germ-line precursor of NIH45-46 Fab in complex with gp120 of 93TH057 HIV-1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab heavy chain, Fab light chain, ...
Authors:Scharf, L, Diskin, R, Bjorkman, P.J.
Deposit date:2013-02-25
Release date:2013-03-20
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.26 Å)
Cite:Structural basis for HIV-1 gp120 recognition by a germ-line version of a broadly neutralizing antibody.
Proc.Natl.Acad.Sci.USA, 110, 2013
1UZK
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BU of 1uzk by Molmil
Integrin binding cbEGF22-TB4-cbEGF33 fragment of human fibrillin-1, Ca bound to cbEGF23 domain only
Descriptor: CALCIUM ION, FIBRILLIN-1
Authors:Lee, S.S.J, Knott, V, Harlos, K, Handford, P.A, Stuart, D.I.
Deposit date:2004-03-13
Release date:2006-05-24
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structure of the Integrin Binding Fragment from Fibrillin-1 Gives New Insights Into Microfibril Organization
Structure, 12, 2004
4K0V
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BU of 4k0v by Molmil
Structural basis for angiopoietin-1 mediated signaling initiation
Descriptor: Angiopoietin-1, TEK tyrosine kinase variant
Authors:Yu, X, Seegar, T.C.M, Dalton, A.C, Tzvetkova-Robev, D, Goldgur, Y, Nikolov, D.B, Barton, W.A.
Deposit date:2013-04-04
Release date:2013-05-08
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (4.51 Å)
Cite:Structural basis for angiopoietin-1-mediated signaling initiation.
Proc.Natl.Acad.Sci.USA, 110, 2013
4NET
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BU of 4net by Molmil
Crystal structure of ADC-1 beta-lactamase
Descriptor: AmpC, GLYCEROL, NITRATE ION
Authors:Bhattacharya, M, Toth, M, Antunes, N.T, Smith, C.A, Vakulenko, S.B.
Deposit date:2013-10-30
Release date:2014-03-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structure of the extended-spectrum class C beta-lactamase ADC-1 from Acinetobacter baumannii.
Acta Crystallogr.,Sect.D, 70, 2014
1XOY
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BU of 1xoy by Molmil
Solution structure of At3g04780.1, an Arabidopsis ortholog of the C-terminal domain of human thioredoxin-like protein
Descriptor: hypothetical protein At3g04780.1
Authors:Song, J, Robert, C.T, Lee, M.S, Markley, J.L, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2004-10-07
Release date:2004-10-12
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of At3g04780.1-des15, an Arabidopsis thaliana ortholog of the C-terminal domain of human thioredoxin-like protein.
Protein Sci., 14, 2005
4BVN
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BU of 4bvn by Molmil
Ultra-thermostable beta1-adrenoceptor with cyanopindolol bound
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, BETA-1 ADRENERGIC RECEPTOR, ...
Authors:Miller, J, Nehme, R, Warne, T, Edwards, P.C, Leslie, A.G.W, Schertler, G, Tate, C.G.
Deposit date:2013-06-26
Release date:2014-04-02
Last modified:2025-07-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The 2.1 A Resolution Structure of Cyanopindolol-Bound Beta1- Adrenoceptor Identifies an Intramembrane Na+ Ion that Stabilises the Ligand-Free Receptor.
Plos One, 9, 2014
1GYM
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BU of 1gym by Molmil
PHOSPHATIDYLINOSITOL-SPECIFIC PHOSPHOLIPASE C IN COMPLEX WITH GLUCOSAMINE-(ALPHA-1-6)-MYO-INOSITOL
Descriptor: (1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside, PHOSPHATIDYLINOSITOL-SPECIFIC PHOSPHOLIPASE C
Authors:Heinz, D.W, Ryan, M, Smith, M.P, Weaver, L.H, Keana, J.F.W, Griffith, O.H.
Deposit date:1996-05-02
Release date:1996-11-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of phosphatidylinositol-specific phospholipase C from Bacillus cereus in complex with glucosaminyl(alpha 1-->6)-D-myo-inositol, an essential fragment of GPI anchors.
Biochemistry, 35, 1996
3ETN
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BU of 3etn by Molmil
Crystal structure of putative phosphosugar isomerase involved in capsule formation (YP_209877.1) from Bacteroides fragilis NCTC 9343 at 1.70 A resolution
Descriptor: 1,2-ETHANEDIOL, CYTIDINE 5'-MONOPHOSPHATE 3-DEOXY-BETA-D-GULO-OCT-2-ULO-PYRANOSONIC ACID, putative phosphosugar isomerase involved in capsule formation
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2008-10-08
Release date:2008-10-21
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural analysis of arabinose-5-phosphate isomerase from Bacteroides fragilis and functional implications.
Acta Crystallogr.,Sect.D, 70, 2014
5OKC
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BU of 5okc by Molmil
Crystal structure of the Ctf18-1-8 module from Ctf18-RFC
Descriptor: 1,2-ETHANEDIOL, Chromosome transmission fidelity protein 18, Chromosome transmission fidelity protein 8, ...
Authors:Grabarczyk, D.B, Kisker, C.
Deposit date:2017-07-25
Release date:2017-12-20
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis for the Recruitment of Ctf18-RFC to the Replisome.
Structure, 26, 2018
3AEP
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BU of 3aep by Molmil
Reaction intermediate structure of Entamoeba histolytica methionine gamma-lyase 1 containing alpha-amino-alpha, beta-butenoic acid-pyridoxal-5'-phosphate
Descriptor: (2E)-2-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}but-2-enoic acid, GLYCEROL, METHANETHIOL, ...
Authors:Karaki, T, Sato, D, Shimizu, A, Nozaki, T, Harada, S.
Deposit date:2010-02-10
Release date:2011-02-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Crystal structure of Entamoeba histolytica methionine gamma-lyase 1
To be Published
4MUN
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BU of 4mun by Molmil
Crystal structure of pantothenate synthetase in complex with 2-(5-methoxy-2-(2-nitro-4-(trifluoromethyl)phenylsulfonylcarbamoyl)-1H-indol-1-yl)acetic acid
Descriptor: 1,2-ETHANEDIOL, ETHANOL, GLYCEROL, ...
Authors:Silvestre, H.L, Blundell, T.L.
Deposit date:2013-09-22
Release date:2014-08-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Optimization of Inhibitors of Mycobacterium tuberculosis Pantothenate Synthetase Based on Group Efficiency Analysis.
Chemmedchem, 11, 2016
2NA0
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BU of 2na0 by Molmil
NMR structure of Guanylyl Cyclase Activator Protein 1 (GCAP1) mutant V77E in a Ca2+-free/Mg2+-bound Activator State
Descriptor: Guanylyl cyclase-activating protein 1
Authors:Lim, S, Ames, J.B.
Deposit date:2015-12-16
Release date:2015-12-30
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure of Guanylyl Cyclase Activator Protein 1 (GCAP1) Mutant V77E in a Ca2+-free/Mg2+-bound Activator State.
J.Biol.Chem., 291, 2016
4F9J
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BU of 4f9j by Molmil
Structure of Escherichia coli PgaB 42-655 in complex with iron
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETIC ACID, CALCIUM ION, ...
Authors:Little, D.J, Poloczek, J, Whitney, J.C, Robinson, H, Nitz, M, Howell, P.L.
Deposit date:2012-05-18
Release date:2012-07-25
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.103 Å)
Cite:The Structure and Metal Dependent Activity of Escherichia coli PgaB Provides Insight into the Partial De-N-acetylation of Poly-b-1,6-N-acetyl-D-glucosamine
J.Biol.Chem., 287, 2012
5O91
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BU of 5o91 by Molmil
Crystal structure of human Mps1 (TTK) C604W mutant in complex with Cpd-5
Descriptor: 1,2-ETHANEDIOL, Dual specificity protein kinase TTK, ~{N}-(2,6-diethylphenyl)-8-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-1-methyl-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide
Authors:Hiruma, Y, Joosten, R.P, Perrakis, A.
Deposit date:2017-06-15
Release date:2017-07-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Understanding inhibitor resistance in Mps1 kinase through novel biophysical assays and structures.
J. Biol. Chem., 292, 2017
1H13
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BU of 1h13 by Molmil
Structure of a cold-adapted family 8 xylanase
Descriptor: ENDO-1,4-BETA-XYLANASE
Authors:Van Petegem, F, Collins, T, Meuwis, M.A, Feller, G, Gerday, C, Van Beeumen, J.
Deposit date:2002-07-02
Release date:2003-03-13
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The Structure of a Cold-Adapted Family 8 Xylanase at 1.3 A Resolution: Structural Adaptations to Cold and Investigation of the Active Site
J.Biol.Chem., 278, 2003
3F14
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BU of 3f14 by Molmil
Crystal structure of NTF2-like protein of unknown function (YP_680363.1) from CYTOPHAGA HUTCHINSONII ATCC 33406 at 1.45 A resolution
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, TRIETHYLENE GLYCOL, uncharacterized NTF2-like protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2008-10-27
Release date:2008-11-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of NTF2-like protein of unknown function (YP_680363.1) from CYTOPHAGA HUTCHINSONII ATCC 33406 at 1.45 A resolution
To be published
3PCV
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BU of 3pcv by Molmil
Crystal structure analysis of human leukotriene C4 synthase at 1.9 angstrom resolution
Descriptor: 1,2-ETHANEDIOL, DODECYL-BETA-D-MALTOSIDE, GLUTATHIONE, ...
Authors:Saino, H, Ago, H, Miyano, M.
Deposit date:2010-10-22
Release date:2011-03-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The catalytic architecture of leukotriene C4 synthase with two arginine residues
J.Biol.Chem., 286, 2011
4P34
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BU of 4p34 by Molmil
Crystal structure of DJ-1 in sulfenic acid form (fresh crystal)
Descriptor: PENTAETHYLENE GLYCOL, Protein DJ-1
Authors:Tashiro, S, Wu, C.-X, Hoang, Q.Q, Caaveiro, J.M.M, Tsumoto, K.
Deposit date:2014-03-05
Release date:2014-04-09
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Thermodynamic and Structural Characterization of the Specific Binding of Zn(II) to Human Protein DJ-1.
Biochemistry, 53, 2014
1Y6X
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BU of 1y6x by Molmil
The 1.25 A resolution structure of phosphoribosyl-ATP pyrophosphohydrolase from Mycobacterium tuberculosis
Descriptor: Phosphoribosyl-ATP pyrophosphatase
Authors:Javid-Majd, F, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2004-12-07
Release date:2005-03-01
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:The 1.25 A resolution structure of phosphoribosyl-ATP pyrophosphohydrolase from Mycobacterium tuberculosis.
Acta Crystallogr.,Sect.D, 64, 2008
1A3K
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BU of 1a3k by Molmil
X-RAY CRYSTAL STRUCTURE OF THE HUMAN GALECTIN-3 CARBOHYDRATE RECOGNITION DOMAIN (CRD) AT 2.1 ANGSTROM RESOLUTION
Descriptor: GALECTIN-3, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Seetharaman, J, Kanigsberg, A, Slaaby, R, Leffler, H, Barondes, S.H, Rini, J.M.
Deposit date:1998-01-22
Release date:1998-07-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:X-ray crystal structure of the human galectin-3 carbohydrate recognition domain at 2.1-A resolution.
J.Biol.Chem., 273, 1998
3UR2
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BU of 3ur2 by Molmil
Crystal Structure of PTE mutant H254G/H257W/L303T/K185R/I274N/A80V
Descriptor: 1,2-ETHANEDIOL, COBALT (II) ION, IMIDAZOLE, ...
Authors:Tsai, P, Fox, N.G, Li, Y, Barondeau, D.P, Raushel, F.M.
Deposit date:2011-11-21
Release date:2012-08-01
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Enzymes for the homeland defense: optimizing phosphotriesterase for the hydrolysis of organophosphate nerve agents.
Biochemistry, 51, 2012
3AEJ
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BU of 3aej by Molmil
Reaction intermediate structure of Entamoeba histolytica methionine gamma-lyase 1 tetramer containing Michaelis complex and methionine-pyridoxal-5'-phosphate
Descriptor: GLYCEROL, METHIONINE, Methionine gamma-lyase, ...
Authors:Karaki, T, Sato, D, Shimizu, A, Nozaki, T, Harada, S.
Deposit date:2010-02-10
Release date:2011-02-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Crystal structure of Entamoeba histolytica methionine gamma-lyase 1
To be Published
3R9S
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BU of 3r9s by Molmil
Structure of a carnitinyl-CoA dehydratase from Mycobacterium avium 104
Descriptor: 1,2-ETHANEDIOL, BENZOIC ACID, Carnitinyl-CoA dehydratase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-03-25
Release date:2011-04-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015

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