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1TZB
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BU of 1tzb by Molmil
Crystal structure of native phosphoglucose/phosphomannose isomerase from Pyrobaculum aerophilum
Descriptor: GLYCEROL, SULFATE ION, glucose-6-phosphate isomerase, ...
Authors:Swan, M.K, Hansen, T, Schoenheit, P, Davies, C.
Deposit date:2004-07-09
Release date:2004-07-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:A novel phosphoglucose/phosphomannose isomease from the crenarchaeon Pyrobaculum aerophilum is a member of the PGI superfamily: structural evidence at 1.16 A resolution
J.Biol.Chem., 279, 2004
3CGO
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BU of 3cgo by Molmil
IRAK-4 Inhibitors (Part II)- A structure based assessment of imidazo[1,2 a]pyridine binding
Descriptor: 2-{4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]piperidin-1-yl}-N-methylacetamide, Mitogen-activated protein kinase 10
Authors:Ceska, T.A, Platt, A, Fortunato, M, Dickson, K.M, Beevers, R.
Deposit date:2008-03-06
Release date:2008-06-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3 Å)
Cite:IRAK-4 inhibitors. Part II: A structure-based assessment of imidazo[1,2-a]pyridine binding
Bioorg.Med.Chem.Lett., 18, 2008
4BP1
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BU of 4bp1 by Molmil
Crystal Structure of Plasmodium Falciparum Spermidine Synthase in Complex with 5'-Methylthioadenosine and Putrescine
Descriptor: 1,4-DIAMINOBUTANE, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, ...
Authors:Sprenger, J, Halander, J.C, Svensson, B, Al-Karadaghi, S, Persson, L.
Deposit date:2013-05-23
Release date:2014-06-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Three-Dimensional Structures of Plasmodium Falciparum Spermidine Synthase with Bound Inhibitors Suggest New Strategies for Drug Design
Acta Crystallogr.,Sect.D, 71, 2015
1M9F
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BU of 1m9f by Molmil
X-ray crystal structure of Cyclophilin A/HIV-1 CA N-terminal domain (1-146) M-type H87A,A88M Complex.
Descriptor: Cyclophilin A, HIV-1 Capsid
Authors:Howard, B.R, Vajdos, F.F, Li, S, Sundquist, W.I, Hill, C.P.
Deposit date:2002-07-28
Release date:2003-05-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structural insights into the catalytic mechanism of cyclophilin A
Nat.Struct.Biol., 10, 2003
1U32
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BU of 1u32 by Molmil
Crystal structure of a Protein Phosphatase-1: Calcineurin Hybrid Bound to Okadaic Acid
Descriptor: BETA-MERCAPTOETHANOL, MANGANESE (II) ION, OKADAIC ACID, ...
Authors:Maynes, J.T, Perreault, K.R, Cherney, M.M, Luu, H.A, James, M.N.G, Holmes, C.F.B.
Deposit date:2004-07-20
Release date:2004-08-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure and Mutagenesis of a Protein Phosphatase-1:Calcineurin Hybrid Elucidate the Role of the {beta}12-{beta}13 Loop in Inhibitor Binding
J.Biol.Chem., 279, 2004
4C21
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BU of 4c21 by Molmil
L-Fucose Isomerase In Complex With Fucitol
Descriptor: 1,2-ETHANEDIOL, FUCITOL, L-FUCOSE ISOMERASE, ...
Authors:Higgins, M.A, Suits, M.D.L, Marsters, C, Boraston, A.B.
Deposit date:2013-08-16
Release date:2013-12-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural and Functional Analysis of Fucose-Processing Enzymes from Streptococcus Pneumoniae.
J.Mol.Biol., 426, 2014
1GYO
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BU of 1gyo by Molmil
Crystal structure of the di-tetraheme cytochrome c3 from Desulfovibrio gigas at 1.2 Angstrom resolution
Descriptor: CYTOCHROME C3, A DIMERIC CLASS III C-TYPE CYTOCHROME, GLYCEROL, ...
Authors:Aragao, D, Frazao, C, Sieker, L, Sheldrick, G.M, Legall, J, Carrondo, M.A.
Deposit date:2002-04-29
Release date:2002-05-24
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structure of Dimeric Cytochrome C3 from Desulfovibrio Gigas at 1.2 A Resolution
Acta Crystallogr.,Sect.D, 59, 2003
5GV0
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BU of 5gv0 by Molmil
Crystal structure of the membrane-proximal domain of mouse lysosome-associated membrane protein 1 (LAMP-1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Lysosome-associated membrane glycoprotein 1, SULFATE ION
Authors:Tomabechi, Y, Ehara, H, Kukimoto-Niino, M, Shirouzu, M.
Deposit date:2016-09-01
Release date:2016-10-12
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Lysosome-associated membrane proteins-1 and -2 (LAMP-1 and LAMP-2) assemble via distinct modes
Biochem.Biophys.Res.Commun., 479, 2016
4OXF
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BU of 4oxf by Molmil
Structure of ECP in complex with citrate ions at 1.50 Angstroms
Descriptor: CITRIC ACID, Eosinophil cationic protein, FE (III) ION
Authors:Blanco, J.A, Boix, E, Moussaoui, M, Salazar, V.A.
Deposit date:2014-02-05
Release date:2015-03-04
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of ECP in complex with citrate ions at 1.50 Angstroms
To be published
3VQD
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BU of 3vqd by Molmil
HIV-1 IN core domain in complex with 5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid
Descriptor: 5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid, CADMIUM ION, POL polyprotein, ...
Authors:Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J.
Deposit date:2012-03-21
Release date:2013-01-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?
J Biomol Screen, 18, 2013
4B9D
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BU of 4b9d by Molmil
Crystal Structure of Human NIMA-related Kinase 1 (NEK1) with inhibitor.
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK1, ...
Authors:Elkins, J.M, Hanchuk, T.D.M, Lovato, D.V, Basei, F.L, Meirelles, G.V, Kobarg, J, Szklarz, M, Vollmar, M, Mahajan, P, Rellos, P, Zhang, Y, Krojer, T, Pike, A.C.W, Canning, P, von Delft, F, Raynor, J, Bountra, C, Arrowsmith, C, Edwards, A, Knapp, S.
Deposit date:2012-09-04
Release date:2012-09-19
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:NEK1 kinase domain structure and its dynamic protein interactome after exposure to Cisplatin.
Sci Rep, 7, 2017
3CVL
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BU of 3cvl by Molmil
Structure of Peroxisomal Targeting Signal 1 (PTS1) binding domain of Trypanosoma brucei Peroxin 5 (TbPEX5)complexed to T. brucei Phosphofructokinase (PFK) PTS1 peptide
Descriptor: Peroxisome targeting signal 1 receptor PEX5, T. brucei PFK PTS1 peptide Ac-HEELAKL
Authors:Sampathkumar, P, Roach, C, Michels, P.A.M, Hol, W.G.J.
Deposit date:2008-04-18
Release date:2008-06-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural Insights into the recognition of peroxisomal targeting signal 1 by Trypanosoma brucei peroxin 5.
J.Mol.Biol., 381, 2008
3CXP
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BU of 3cxp by Molmil
Crystal structure of human glucosamine 6-phosphate N-acetyltransferase 1 mutant E156A
Descriptor: CHLORIDE ION, Glucosamine 6-phosphate N-acetyltransferase
Authors:Wang, J, Liu, X, Li, L.-F, Su, X.-D.
Deposit date:2008-04-25
Release date:2008-09-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Acceptor substrate binding revealed by crystal structure of human glucosamine-6-phosphate N-acetyltransferase 1
Febs Lett., 582, 2008
4JD0
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BU of 4jd0 by Molmil
Structure of the inositol-1-phosphate CTP transferase from T. maritima.
Descriptor: CHLORIDE ION, GLYCEROL, Nucleotidyl transferase, ...
Authors:Stec, B.
Deposit date:2013-02-22
Release date:2013-09-18
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of the inositol-1-phosphate cytidylyltransferase from Thermotoga maritima.
Acta Crystallogr.,Sect.D, 69, 2013
4OJV
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BU of 4ojv by Molmil
Crystal structure of unliganded yeast PDE1
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3',5'-cyclic-nucleotide phosphodiesterase 1, SULFATE ION, ...
Authors:Tian, Y, Cui, W, Huang, M, Robinson, H, Wan, Y, Wang, Y, Ke, H.
Deposit date:2014-01-21
Release date:2014-12-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Dual specificity and novel structural folding of yeast phosphodiesterase-1 for hydrolysis of second messengers cyclic adenosine and guanosine 3',5'-monophosphate.
Biochemistry, 53, 2014
6AKY
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BU of 6aky by Molmil
The Crystal structure of Human Chemokine Receptor CCR5 in complex with compound 34
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4,4-difluoro-N-[(1S)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl}-1-(thiophen-3-yl)propyl]cyclohexane-1-carboxamide, C-C chemokine receptor type 5,Rubredoxin,C-C chemokine receptor type 5, ...
Authors:Zhu, Y, Zhao, Q, Wu, B.
Deposit date:2018-09-04
Release date:2018-10-24
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-Based Design of 1-Heteroaryl-1,3-propanediamine Derivatives as a Novel Series of CC-Chemokine Receptor 5 Antagonists.
J. Med. Chem., 61, 2018
3D3P
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BU of 3d3p by Molmil
Crystal structure of PDE4B catalytic domain in complex with a pyrazolopyridine inhibitor
Descriptor: 1-ethyl-N-(phenylmethyl)-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide, ARSENIC, MAGNESIUM ION, ...
Authors:Somers, D.O, Neu, M.
Deposit date:2008-05-12
Release date:2009-05-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Pyrazolopyridines as a novel structural class of potent and selective PDE4 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
1TS2
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BU of 1ts2 by Molmil
T128A MUTANT OF TOXIC SHOCK SYNDROME TOXIN-1 FROM S. AUREUS
Descriptor: TOXIC SHOCK SYNDROME TOXIN-1
Authors:Earhart, C.A, Mitchell, D.T, Murray, D.L, Pinheiro, D.M, Matsumura, M, Schlievert, P.M, Ohlendorf, D.H.
Deposit date:1997-10-09
Release date:1998-12-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of five mutants of toxic shock syndrome toxin-1 with reduced biological activity.
Biochemistry, 37, 1998
4GD6
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BU of 4gd6 by Molmil
SHV-1 beta-lactamase in complex with penam sulfone SA1-204
Descriptor: (3R)-N-(2-formylindolizin-3-yl)-4-[(phenylacetyl)oxy]-3-sulfino-D-valine, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE
Authors:van den Akker, F, Wei, K.
Deposit date:2012-07-31
Release date:2013-07-31
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Structures of SHV-1 beta-lactamase with penem and penam sulfone inhibitors that form cyclic intermediates stabilized by carbonyl conjugation
Plos One, 7, 2012
3VQB
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BU of 3vqb by Molmil
HIV-1 IN core domain in complex with 6-fluoro-4H-1,3-benzodioxine-8-carboxylic acid
Descriptor: 6-fluoro-4H-1,3-benzodioxine-8-carboxylic acid, CADMIUM ION, POL polyprotein, ...
Authors:Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J.
Deposit date:2012-03-21
Release date:2013-01-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?
J Biomol Screen, 18, 2013
6KWD
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BU of 6kwd by Molmil
Crystal Structure Analysis of Endo-beta-1,4-Xylanase II Complexed with Xylotriose
Descriptor: Endo-1,4-beta-xylanase 2, GLYCEROL, IODIDE ION, ...
Authors:Li, C, Wan, Q.
Deposit date:2019-09-06
Release date:2020-12-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.298 Å)
Cite:Studying the Role of a Single Mutation of a Family 11 Glycoside Hydrolase Using High-Resolution X-ray Crystallography.
Protein J., 39, 2020
3CRN
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BU of 3crn by Molmil
Crystal structure of response regulator receiver domain protein (CheY-like) from Methanospirillum hungatei JF-1
Descriptor: GLYCEROL, Response regulator receiver domain protein, CheY-like, ...
Authors:Hiner, R.L, Toro, R, Patskovsky, Y, Freeman, J, Chang, S, Smith, D, Groshong, C, Wasserman, S.R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2008-04-07
Release date:2008-04-22
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Crystal structure of response regulator receiver domain protein (CheY-like) from Methanospirillum hungatei JF-1.
To be Published
3CSC
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BU of 3csc by Molmil
STRUCTURE OF TERNARY COMPLEXES OF CITRATE SYNTHASE WITH D-AND L-MALATE: MECHANISTIC IMPLICATIONS
Descriptor: (2S)-2-hydroxybutanedioic acid, ACETYL COENZYME *A, CITRATE SYNTHASE
Authors:Karpusas, M, Holland, D, Remington, S.J.
Deposit date:1990-05-07
Release date:1991-04-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:1.9-A structures of ternary complexes of citrate synthase with D- and L-malate: mechanistic implications.
Biochemistry, 30, 1991
1UCH
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BU of 1uch by Molmil
DEUBIQUITINATING ENZYME UCH-L3 (HUMAN) AT 1.8 ANGSTROM RESOLUTION
Descriptor: UBIQUITIN C-TERMINAL HYDROLASE UCH-L3
Authors:Johnston, S.C, Larsen, C.N, Cook, W.J, Wilkinson, K.D, Hill, C.P.
Deposit date:1997-10-06
Release date:1998-01-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of a deubiquitinating enzyme (human UCH-L3) at 1.8 A resolution.
EMBO J., 16, 1997
4ZO6
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BU of 4zo6 by Molmil
Crystal Structure of mutant (D270A) beta-glucosidase from Listeria innocua in complex with cellobiose
Descriptor: GLYCEROL, Lin1840 protein, MAGNESIUM ION, ...
Authors:Nakajima, M, Yoshida, R, Miyanaga, A, Abe, K, Takahashi, Y, Sugimoto, N, Toyoizumi, H, Nakai, H, Kitaoka, M, Taguchi, H.
Deposit date:2015-05-06
Release date:2016-05-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Functional and Structural Analysis of a beta-Glucosidase Involved in beta-1,2-Glucan Metabolism in Listeria innocua
Plos One, 11, 2016

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